Cavity mode-width spectroscopy with widely tunable ultra narrow laser.

PubMed

Cygan, Agata; Lisak, Daniel; Morzyński, Piotr; Bober, Marcin; Zawada, Michał; Pazderski, Eugeniusz; Ciuryło, Roman

2013-12-02

We explore a cavity-enhanced spectroscopic technique based on determination of the absorbtion coefficient from direct measurement of spectral width of the mode of the optical cavity filled with absorbing medium. This technique called here the cavity mode-width spectroscopy (CMWS) is complementary to the cavity ring-down spectroscopy (CRDS). While both these techniques use information on interaction time of the light with the cavity to determine absorption coefficient, the CMWS does not require to measure very fast signals at high absorption conditions. Instead the CMWS method require a very narrow line width laser with precise frequency control. As an example a spectral line shape of P7 Q6 O₂ line from the B-band was measured with use of an ultra narrow laser system based on two phase-locked external cavity diode lasers (ECDL) having tunability of ± 20 GHz at wavelength range of 687 to 693 nm.

The multi-mode polarization modulation spectrometer: part 1: simultaneous detection of absorption, turbidity, and optical activity.

PubMed

Arvinte, Tudor; Bui, Tam T T; Dahab, Ali A; Demeule, Barthélemy; Drake, Alex F; Elhag, Dhia; King, Peter

2004-09-01

Circular dichroism (CD) is an important spectroscopic technique for monitoring chirality and biological macromolecule conformation. However, during a CD measurement, absorbance, light scattering/turbidity, and fluorescence can also be detected. The simultaneous measurement of these different spectral features for a single sample is the basis of a multi-mode optical spectrometer. This allows time-efficient gathering of complementary information and provides a scheme to ensure that CD measurements are reliable. Aspects of circular polarization differential light scattering, pH, and temperature variation of a protein (antibody) solution are described. A procedure to help ensure that CD measurements are reliable is described.

Comparison between non-invasive methods used on paintings by Goya and his contemporaries: hyperspectral imaging vs. point-by-point spectroscopic analysis.

PubMed

Daniel, Floréal; Mounier, Aurélie; Pérez-Arantegui, Josefina; Pardos, Carlos; Prieto-Taboada, Nagore; Fdez-Ortiz de Vallejuelo, Silvia; Castro, Kepa

2017-06-01

The development of non-invasive techniques for the characterization of pigments is crucial in order to preserve the integrity of the artwork. In this sense, the usefulness of hyperspectral imaging was demonstrated. It allows pigment characterization of the whole painting. However, it also sometimes requires the complementation of other point-by-point techniques. In the present article, the advantages of hyperspectral imaging over point-by-point spectroscopic analysis were evaluated. For that purpose, three paintings were analysed by hyperspectral imaging, handheld X-ray fluorescence and handheld Raman spectroscopy in order to determine the best non-invasive technique for pigment identifications. Thanks to this work, the main pigments used in Aragonese artworks, and especially in Goya's paintings, were identified and mapped by imaging reflection spectroscopy. All the analysed pigments corresponded to those used at the time of Goya. Regarding the techniques used, the information obtained by the hyperspectral imaging and point-by-point analysis has been, in general, different and complementary. Given this fact, selecting only one technique is not recommended, and the present work demonstrates the usefulness of the combination of all the techniques used as the best non-invasive methodology for the pigments' characterization. Moreover, the proposed methodology is a relatively quick procedure that allows a larger number of Goya's paintings in the museum to be surveyed, increasing the possibility of obtaining significant results and providing a chance for extensive comparisons, which are relevant from the point of view of art history issues.

Vibrational spectroscopy reveals the initial steps of biological hydrogen evolution† †Electronic supplementary information (ESI) available: Complementary resonance Raman and infrared spectroscopic data. See DOI: 10.1039/c6sc01098a Click here for additional data file.

PubMed Central

Katz, S.; Noth, J.; Shafaat, H. S.; Happe, T.; Hildebrandt, P.

2016-01-01

[FeFe] hydrogenases are biocatalytic model systems for the exploitation and investigation of catalytic hydrogen evolution. Here, we used vibrational spectroscopic techniques to characterize, in detail, redox transformations of the [FeFe] and [4Fe4S] sub-sites of the catalytic centre (H-cluster) in a monomeric [FeFe] hydrogenase. Through the application of low-temperature resonance Raman spectroscopy, we discovered a novel metastable intermediate that is characterized by an oxidized [FeIFeII] centre and a reduced [4Fe4S]1+ cluster. Based on this unusual configuration, this species is assigned to the first, deprotonated H-cluster intermediate of the [FeFe] hydrogenase catalytic cycle. Providing insights into the sequence of initial reaction steps, the identification of this species represents a key finding towards the mechanistic understanding of biological hydrogen evolution. PMID:28451119

Structural Characterization of Sm(III)(EDTMP).

PubMed

Yang, Y; Pushie, M J; Cooper, D M L; Doschak, M R

2015-11-02

Samarium-153 ethylenediamine-N,N,N',N'-tetrakis(methylenephosphonic acid) ((153)Sm-EDTMP, or samarium lexidronam), also known by its registered trademark name Quadramet, is an approved therapeutic radiopharmaceutical used in the palliative treatment of painful bone metastases. Typically, patients with prostate, breast, or lung cancer are most likely to go on to require bone pain palliation treatment due to bone metastases. Sm(EDTMP) is a bone-seeking drug which accumulates on rapidly growing bone, thereby delivering a highly region-specific dose of radiation, chiefly through β particle emission. Even with its widespread clinical use, the structure of Sm(EDTMP) has not yet been characterized at atomic resolution, despite attempts to crystallize the complex. Herein, we prepared a 1:1 complex of the cold (stable isotope) of Sm(EDTMP) under alkaline conditions and then isolated and characterized the complex using conventional spectroscopic techniques, as well as with extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional structure calculations, using natural abundance Sm. We present the atomic resolution structure of [Sm(III)(EDTMP)-8H](5-) for the first time, supported by the EXAFS data and complementary spectroscopic techniques, which demonstrate that the samarium coordination environment in solution is in agreement with the structure that has long been conjectured.

Enzymatic and spectroscopic properties of a thermostable [NiFe]‑hydrogenase performing H2-driven NAD+-reduction in the presence of O2.

PubMed

Preissler, Janina; Wahlefeld, Stefan; Lorent, Christian; Teutloff, Christian; Horch, Marius; Lauterbach, Lars; Cramer, Stephen P; Zebger, Ingo; Lenz, Oliver

2018-01-01

Biocatalysts that mediate the H 2 -dependent reduction of NAD + to NADH are attractive from both a fundamental and applied perspective. Here we present the first biochemical and spectroscopic characterization of an NAD + -reducing [NiFe]‑hydrogenase that sustains catalytic activity at high temperatures and in the presence of O 2 , which usually acts as an inhibitor. We isolated and sequenced the four structural genes, hoxFUYH, encoding the soluble NAD + -reducing [NiFe]‑hydrogenase (SH) from the thermophilic betaproteobacterium, Hydrogenophilus thermoluteolus TH-1 T (Ht). The HtSH was recombinantly overproduced in a hydrogenase-free mutant of the well-studied, H 2 -oxidizing betaproteobacterium Ralstonia eutropha H16 (Re). The enzyme was purified and characterized with various biochemical and spectroscopic techniques. Highest H 2 -mediated NAD + reduction activity was observed at 80°C and pH6.5, and catalytic activity was found to be sustained at low O 2 concentrations. Infrared spectroscopic analyses revealed a spectral pattern for as-isolated HtSH that is remarkably different from those of the closely related ReSH and other [NiFe]‑hydrogenases. This indicates an unusual configuration of the oxidized catalytic center in HtSH. Complementary electron paramagnetic resonance spectroscopic analyses revealed spectral signatures similar to related NAD + -reducing [NiFe]‑hydrogenases. This study lays the groundwork for structural and functional analyses of the HtSH as well as application of this enzyme for H 2 -driven cofactor recycling under oxic conditions at elevated temperatures. Copyright © 2017 Elsevier B.V. All rights reserved.

A vibrational spectroscopic and principal component analysis of triarylmethane dyes by comparative laboratory and portable instrumentation

NASA Astrophysics Data System (ADS)

Doherty, B.; Vagnini, M.; Dufourmantelle, K.; Sgamellotti, A.; Brunetti, B.; Miliani, C.

2014-03-01

This contribution examines the utility of vibrational spectroscopy by bench and portable Raman/surface enhanced Raman and infrared methods for the investigation of ten early triarlymethane dye powder references and dye solutions applied on paper. The complementary information afforded by the techniques is shown to play a key role in the identification of specific spectral marker ranges to distiguish early synthetic dyes of art-historical interest through the elaboration of an in-house database of modern organic dyes. Chemometric analysis has permitted a separation of data by the discrimination of di-phenyl-naphthalenes and triphenylmethanes (di-amino and tri-amino derivatives). This work serves as a prelude to the validation of a non-invasive working method for in situ characterization of these synthetic dyes through a careful comparison of respective strengths and limitations of each portable technique.

Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors.

PubMed

Tan, B S; Harrison, N; Zhu, Z; Balakirev, F; Ramshaw, B J; Srivastava, A; Sabok-Sayr, S A; Sabok, S A; Dabrowski, B; Lonzarich, G G; Sebastian, Suchitra E

2015-08-04

The normal state in the hole underdoped copper oxide superconductors has proven to be a source of mystery for decades. The measurement of a small Fermi surface by quantum oscillations on suppression of superconductivity by high applied magnetic fields, together with complementary spectroscopic measurements in the hole underdoped copper oxide superconductors, point to a nodal electron pocket from charge order in YBa2Cu3(6+δ). Here, we report quantum oscillation measurements in the closely related stoichiometric material YBa2Cu4O8, which reveals similar Fermi surface properties to YBa2Cu3(6+δ), despite the nonobservation of charge order signatures in the same spectroscopic techniques, such as X-ray diffraction, that revealed signatures of charge order in YBa2Cu3(6+δ). Fermi surface reconstruction in YBa2Cu4O8 is suggested to occur from magnetic field enhancement of charge order that is rendered fragile in zero magnetic fields because of its potential unconventional nature and/or its occurrence as a subsidiary to more robust underlying electronic correlations.

Accuracy Enhancement of Raman Spectroscopy Using Complementary Laser-Induced Breakdown Spectroscopy (LIBS) with Geologically Mixed Samples.

PubMed

Choi, Soojin; Kim, Dongyoung; Yang, Junho; Yoh, Jack J

2017-04-01

Quantitative Raman analysis was carried out with geologically mixed samples that have various matrices. In order to compensate the matrix effect in Raman shift, laser-induced breakdown spectroscopy (LIBS) analysis was performed. Raman spectroscopy revealed the geological materials contained in the mixed samples. However, the analysis of a mixture containing different matrices was inaccurate due to the weak signal of the Raman shift, interference, and the strong matrix effect. On the other hand, the LIBS quantitative analysis of atomic carbon and calcium in mixed samples showed high accuracy. In the case of the calcite and gypsum mixture, the coefficient of determination of atomic carbon using LIBS was 0.99, while the signal using Raman was less than 0.9. Therefore, the geological composition of the mixed samples is first obtained using Raman and the LIBS-based quantitative analysis is then applied to the Raman outcome in order to construct highly accurate univariate calibration curves. The study also focuses on a method to overcome matrix effects through the two complementary spectroscopic techniques of Raman spectroscopy and LIBS.

Examining live cell cultures during apoptosis by digital holographic phase imaging and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Khmaladze, Alexander

2017-11-01

Cellular apoptosis is a unique, organized series of events, leading to programmed cell death. In this work, we present a combined digital holography/Raman spectroscopy technique to study live cell cultures during apoptosis. Digital holographic microscopy measurements of live cell cultures yield information about cell shape and volume, changes to which are indicative of alterations in cell cycle and initiation of cell death mechanisms. Raman spectroscopic measurements provide complementary information about cells, such as protein, lipid and nucleic acid content, and the spectral signatures associated with structural changes in molecules. Our work indicates that the chemical changes in proteins, which were detected by Raman measurements, preceded morphological changes, which were seen with digital holographic microscopy.

Quantitative Phase Fraction Detection in Organic Photovoltaic Materials through EELS Imaging

DOE PAGES

Dyck, Ondrej; Hu, Sheng; Das, Sanjib; ...

2015-11-24

Organic photovoltaic materials have recently seen intense interest from the research community. Improvements in device performance are occurring at an impressive rate; however, visualization of the active layer phase separation still remains a challenge. Our paper outlines the application of two electron energy-loss spectroscopic (EELS) imaging techniques that can complement and enhance current phase detection techniques. Specifically, the bulk plasmon peak position, often used to produce contrast between phases in energy filtered transmission electron microscopy (EFTEM), is quantitatively mapped across a sample cross section. One complementary spectrum image capturing the carbon and sulfur core loss edges is compared with themore » plasmon peak map and found to agree quite well, indicating that carbon and sulfur density differences between the two phases also allows phase discrimination. Additionally, an analytical technique for determining absolute atomic areal density is used to produce an absolute carbon and sulfur areal density map. We also show how these maps may be re-interpreted as a phase ratio map, giving quantitative information about the purity of the phases within the junction.« less

Morin-like spin canting in the magnetic CaFe5O7 ferrite: A combined neutron and Mössbauer study

NASA Astrophysics Data System (ADS)

Delacotte, C.; Bréard, Y.; Caignaert, V.; Hardy, V.; Greneche, J. M.; Hébert, S.; Suard, E.; Pelloquin, D.

2017-03-01

Magnetic structure of CaFe5O7 ferrite has been studied jointly from neutron powder diffraction data and spectroscopic Mössbauer measurements in the thermal range from 5 to 500 K. This coupled work highlights three distinct magnetic domains around two specific temperatures: TM=125 K and TN=360 K. The latter corroborates the structural monoclinic-orthorhombic transition previously reported by transmission electron microscopy techniques and X-ray thermodiffractometry. Complementary heat capacity measurements have confirmed this first order transition with a sharp peak at 360 K. Interestingly, this large study has revealed a second magnetic transition associated to a spin rotation at 125 K similar to this one reported by Morin in α-Fe2O3 hematite at TM=260 K.

Archaeometric study of black-coated pottery from Pompeii by different analytical techniques.

PubMed

Scarpelli, Roberta; Clark, Robin J H; De Francesco, Anna Maria

2014-01-01

Complementary spectroscopic methods were used to characterize ceramic body and black coating of fine pottery found at Pompeii (Italy). This has enabled us to investigate local productions and to clarify the technological changes over the 4th-1st centuries BC. Two different groups of ceramics were originally distinguished on the basis of macroscopic observations. Optical microscopy (OM), X-ray diffraction (XRD) and X-ray fluorescence (XRF) seem to indicate the usage of the same raw materials for the production of black-coated ceramics at Pompeii for about three centuries. Raman microscopy (RM) and micro-analysis (SEM/EDS) suggest different production treatments for both raw material processing and firing practice (duration of the reducing step and the cooling rate). Copyright © 2013 Elsevier B.V. All rights reserved.

Structural Features of a Hyperthermostable Endo-β-1,3-glucanase in Solution and Adsorbed on “Invisible” Particles

PubMed Central

Koutsopoulos, Sotirios; van der Oost, John; Norde, Willem

2005-01-01

Conformational characteristics and the adsorption behavior of endo-β-1,3-glucanase from the hyperthermophilic microorganism Pyrococcus furiosus were studied by circular dichroism, steady-state and time-resolved fluorescence spectroscopy, and calorimetry in solution and in the adsorbed state. The adsorption isotherms were determined on two types of surfaces: hydrophobic Teflon and hydrophilic silica particles were specially designed so that they do not interact with light and therefore do not interfere with spectroscopic measurements. We present the most straightforward method to study structural features of adsorbed macromolecules in situ using common spectroscopic techniques. The enzyme was irreversibly adsorbed and immobilized in the adsorbed state even at high temperatures. Adsorption offered further stabilization to the heat-stable enzyme and in the case of adsorption on Teflon its denaturation temperature was measured at 133°C, i.e., the highest experimentally determined for a protein. The maintenance of the active conformation and biological function particularly at high temperatures is important for applications in biocatalysis and biotechnology. With this study we also suggest that nature may employ adsorption as a complementary mode to maintain structural integrity of essential biomolecules at extreme conditions of temperature. PMID:15516527

Optoacoustic sensing of ocular bacterial antigen using targeted gold nanorods

NASA Astrophysics Data System (ADS)

Maswadi, Saher; Page, Leland; Woodward, Lee; Glickman, Randolph D.; Barsalou, Norman

2008-02-01

Bacterial contamination can be detected using a minimally invasive optical method, based on laser-induced optoacoustic spectroscopy, to probe for specific antigens associated with a specific infectious agent. As a model system, we have used a surface antigen (Ag), isolated from Chlamydia trachomatis, and a complementary antibody (Ab). A preparation of 0.2 mg/ml of monoclonal Ab specific to the C. trachomatis surface Ag was conjugated to gold nanorods using standard commercial reagents, in order to produce a targeted contrast agent with a strong optoacoustic signal. The C. trachomatis Ag was absorbed in standard plastic microwells, and the binding of the complementary Ab-nanorod conjugate was tested in an immunoaffinity assay. Optoacoustic signals were elicited from the bound nanorods, using an optical parametric oscillator (OPO) laser system as the optical pump. The wavelength tuneability of the OPO optimized the spectroscopic measurement by exciting the nanorods at their optical absorption maxima. Optoacoustic responses were measured in the microwells using a probe beam deflection technique. Immunoaffinity assays were performed on several dilutions of purified C. trachomatis antigen ranging from 50 μg/ml to 1 pg/ml, in order to determine the detection limit for the optoacoustic-based assay. Only when the antigen was present, and the complementary Ab-NR reagent was introduced into the microwell, was an enhanced optoacoustic signal obtained, which indicated specific binding of the Ab-NR complex. The limit of detection with the current system design is between 1 and 5 pg/ml of bacterial Ag.

Combined use of quantitative ED-EPMA, Raman microspectrometry, and ATR-FTIR imaging techniques for the analysis of individual particles.

PubMed

Jung, Hae-Jin; Eom, Hyo-Jin; Kang, Hyun-Woo; Moreau, Myriam; Sobanska, Sophie; Ro, Chul-Un

2014-08-21

In this work, quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA) (called low-Z particle EPMA), Raman microspectrometry (RMS), and attenuated total reflectance Fourier transform infrared spectroscopic (ATR-FTIR) imaging were applied in combination for the analysis of the same individual airborne particles for the first time. After examining individual particles of micrometer size by low-Z particle EPMA, consecutive examinations by RMS and ATR-FTIR imaging of the same individual particles were then performed. The relocation of the same particles on Al or Ag foils was successfully carried out among the three standalone instruments for several standard samples and an indoor airborne particle sample, resulting in the successful acquisition of quality spectral data from the three single-particle analytical techniques. The combined application of the three techniques to several different standard particles confirmed that those techniques provided consistent and complementary chemical composition information on the same individual particles. Further, it was clearly demonstrated that the three different types of spectral and imaging data from the same individual particles in an indoor aerosol sample provided richer information on physicochemical characteristics of the particle ensemble than that obtainable by the combined use of two single-particle analytical techniques.

A Developmental History of Polymer Mass Spectrometry

ERIC Educational Resources Information Center

Vergne, Matthew J.; Hercules, David M.; Lattimer, Robert P.

2007-01-01

The history of the development of mass spectroscopic methods used to characterize polymers is discussed. The continued improvements in methods and instrumentation will offer new and better ways for the mass spectral characterization of polymers and mass spectroscopy (MS) should be recognized as a complementary polymer characterization method along…

Complementary medicine.

PubMed Central

Spiegel, D; Stroud, P; Fyfe, A

1998-01-01

The widespread use of complementary and alternative medicine techniques, often explored by patients without discussion with their primary care physician, is seen as a request from patients for care as well as cure. In this article, we discuss the reasons for the growth of and interest in complementary and alternative medicine in an era of rapidly advancing medical technology. There is, for instance, evidence of the efficacy of supportive techniques such as group psychotherapy in improving adjustment and increasing survival time of cancer patients. We describe current and developing complementary medicine programs as well as opportunities for integration of some complementary techniques into standard medical care. PMID:9584661

Radiation-Induced Changes in Quartz, A Mineral Analog of Nuclear Power Plant Concrete Aggregates.

PubMed

Silva, Chinthaka M; Rosseel, Thomas M; Kirkegaard, Marie C

2018-03-19

Quartz single-crystal samples consisting of α-quartz crystal structure were neutron irradiated to fluences of 5 × 10 18 , 4 × 10 19 , and 2 × 10 20 n/cm 2 (E > 0.1 MeV) at two temperatures (52 and 95 °C). The changes in the α-quartz phase as a function of these two conditions (temperature and fluence) were studied using X-ray powder diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM), and the results acquired using these complementary techniques are presented in a single place for the first time. XRD studies showed that the lattice parameters of α-quartz increased with increasing neutron flux. The lattice growth was larger for the samples that were neutron irradiated at 52 °C than at 95 °C. Moreover, an amorphous content was determined in the quartz samples neutron irradiated at 4 × 10 19 n/cm 2 , with the greater amount being in the 52 °C irradiated sample. Complete amorphization of quartz was observed at a fluence of 2 × 10 20 n/cm 2 (E > 0.1 MeV) using XRD and confirmed by TEM characterization and Raman spectroscopic studies. The cause for α-quartz lattice expansion and sample amorphization was also explored using XRD and Raman spectroscopic studies.

A Comparison of FTNMR and FTIR Techniques.

ERIC Educational Resources Information Center

Ahn, Myong-Ku

1989-01-01

Nuclear magnetic resonance and infrared are two spectroscopic methods that commonly use the Fourier transform technique. Discussed are the similarities and differences in the use of the Fourier transform in these two spectroscopic techniques. (CW)

Combination of laser-induced breakdown spectroscopy and Raman spectroscopy for multivariate classification of bacteria

NASA Astrophysics Data System (ADS)

Prochazka, D.; Mazura, M.; Samek, O.; Rebrošová, K.; Pořízka, P.; Klus, J.; Prochazková, P.; Novotný, J.; Novotný, K.; Kaiser, J.

2018-01-01

In this work, we investigate the impact of data provided by complementary laser-based spectroscopic methods on multivariate classification accuracy. Discrimination and classification of five Staphylococcus bacterial strains and one strain of Escherichia coli is presented. The technique that we used for measurements is a combination of Raman spectroscopy and Laser-Induced Breakdown Spectroscopy (LIBS). Obtained spectroscopic data were then processed using Multivariate Data Analysis algorithms. Principal Components Analysis (PCA) was selected as the most suitable technique for visualization of bacterial strains data. To classify the bacterial strains, we used Neural Networks, namely a supervised version of Kohonen's self-organizing maps (SOM). We were processing results in three different ways - separately from LIBS measurements, from Raman measurements, and we also merged data from both mentioned methods. The three types of results were then compared. By applying the PCA to Raman spectroscopy data, we observed that two bacterial strains were fully distinguished from the rest of the data set. In the case of LIBS data, three bacterial strains were fully discriminated. Using a combination of data from both methods, we achieved the complete discrimination of all bacterial strains. All the data were classified with a high success rate using SOM algorithm. The most accurate classification was obtained using a combination of data from both techniques. The classification accuracy varied, depending on specific samples and techniques. As for LIBS, the classification accuracy ranged from 45% to 100%, as for Raman Spectroscopy from 50% to 100% and in case of merged data, all samples were classified correctly. Based on the results of the experiments presented in this work, we can assume that the combination of Raman spectroscopy and LIBS significantly enhances discrimination and classification accuracy of bacterial species and strains. The reason is the complementarity in obtained chemical information while using these two methods.

Spectroscopic and statistical approach of archaeological artifacts recently excavated from Tamilnadu, South India

NASA Astrophysics Data System (ADS)

Seetha, D.; Velraj, G.

2015-10-01

The ancient materials characterization will bring back the more evidence of the ancient people life styles. In this study, the archaeological pottery shards recently excavated from Kodumanal, Erode District in Tamilnadu, South India were investigated. The experimental results enlighten us to the elemental and the mineral composition of the pottery shards. The FT-IR technique tells that the mineralogy and the firing temperature of the samples are less than 800 °C, in the oxidizing/reducing atmosphere and the XRD was used as a complementary technique for the mineralogy. A thorough scientific study of SEM-EDS with the help of statistical approach done to find the provenance of the selected pot shards has not yet been performed. EDS and XRF results revealed that the investigated samples have the elements O, Si, Al, Fe, Mn, Mg, Ca, Ti, K and Na are in different compositions. For establishing the provenance (same or different origin) of pottery samples, Al and Si concentration ratio as well as hierarchical cluster analysis (HCA) was used and the results are correlated.

Micro-XRF for characterization of Moroccan glazed ceramics and Portuguese tiles

NASA Astrophysics Data System (ADS)

Guilherme, A.; Manso, M.; Pessanha, S.; Zegzouti, A.; Elaatmani, M.; Bendaoud, R.; Coroado, J.; dos Santos, J. M. F.; Carvalho, M. L.

2013-02-01

A set of enamelled terracotta samples (Zellij) collected from five different monuments in Morocco were object of study. With the aim of characterizing these typically Moroccan artistic objects, X-ray spectroscopic techniques were used as analytical tool to provide elemental and compound information. A lack of information about these types of artistic ceramics is found by the research through international scientific journals, so this investigation is an opportunity to fulfill this gap. For this purpose, micro-Energy Dispersive X-ray Fluorescence (μ-EDXRF), and wavelength dispersive X-ray Fluorescence (WDXRF) and X-ray Diffraction (XRD) were the chosen methods. As complementary information, a comparison with other sort of artistic pottery objects is given, more precisely with Portuguese glazed wall tiles (Azulejos), based in the Islamic pottery traditions. Differences between these two types of decorative pottery were found and presented in this manuscript.

2DCOS and PCMW2D analysis of FT-IR/ATR spectra measured at variable temperatures on-line to a polyurethane polymerization

NASA Astrophysics Data System (ADS)

Schuchardt, Patrick; Unger, Miriam; Siesler, Heinz W.

2018-01-01

In the present communication the potential of 2DCOS analysis and the spin-off technique perturbation-correlation moving window 2D (PCMW2D) analysis is illustrated with reference to spectroscopic changes observed in a data set recorded by in-line fiber-coupled FT-IR spectroscopy in the attenuated total reflection (ATR) mode during a polyurethane solution polymerization at different temperatures. In view of the chemical functionalities involved, hydrogen bonding plays an important role in this polymerization reaction. Based on the 2DCOS and PCMW2D analysis, the sequence of hydrogen bonding changes accompanying the progress of polymerization and precipitation of solid polymer can be determined. Complementary to the kinetic data derived from the original variable-temperature spectra in a previous publication the results provide a more detailed picture of the investigated solution polymerization.

Melanin from the Nitrogen-Fixing Bacterium Azotobacter chroococcum: A Spectroscopic Characterization

PubMed Central

Banerjee, Raja

2014-01-01

Melanins, the ubiquitous hetero-polymer pigments found widely dispersed among various life forms, are usually dark brown/black in colour. Although melanins have variety of biological functions, including protection against ultraviolet radiation of sunlight and are used in medicine, cosmetics, extraction of melanin from the animal and plant kingdoms is not an easy task. Using complementary physicochemical techniques (i.e. MALDI-TOF, FTIR absorption and cross-polarization magic angle spinning solid-state 13C NMR), we report here the characterization of melanins extracted from the nitrogen-fixing non-virulent bacterium Azotobacter chroococcum, a safe viable source. Moreover, considering dihydroxyindole moiety as the main constituent, an effort is made to propose the putative molecular structure of the melanin hetero-polymer extracted from the bacterium. Characterization of the melanin obtained from Azotobacter chroococcum would provide an inspiration in extending research activities on these hetero-polymers and their use as protective agent against UV radiation. PMID:24416247

ENVIRONMENTAL APPLICATIONS OF RAMAN SPECTROSCOPY TO AQUEOUS SYSTEMS

EPA Science Inventory

The aim of this chapter is to demonstrate the great potential that the Raman spectroscopic technique offers for environmental applications, particularly to aqueous systems. We demonstrate the benefits of the technique relative to other information-rich spectroscopic techniques, i...

Complementary Spectroscopic Assays for Investigating Protein-Ligand Binding Activity: A Project for the Advanced Chemistry Laboratory

ERIC Educational Resources Information Center

Mascotti, David P.; Waner, Mark J.

2010-01-01

A protein-ligand binding, guided-inquiry laboratory project with potential application across the advanced undergraduate curriculum is described. At the heart of the project are fluorescence and spectrophotometric assays utilizing biotin-4-fluorescein and streptavidin. The use of the same stock solutions for an assay that may be examined by two…

Overview: MURI Center on spectroscopic and time domain detection of trace explosives in condensed and vapor phases

NASA Astrophysics Data System (ADS)

Spicer, James B.; Dagdigian, Paul; Osiander, Robert; Miragliotta, Joseph A.; Zhang, Xi-Cheng; Kersting, Roland; Crosley, David R.; Hanson, Ronald K.; Jeffries, Jay

2003-09-01

The research center established by Army Research Office under the Multidisciplinary University Research Initiative program pursues a multidisciplinary approach to investigate and advance the use of complementary analytical techniques for sensing of explosives and/or explosive-related compounds as they occur in the environment. The techniques being investigated include Terahertz (THz) imaging and spectroscopy, Laser-Induced Breakdown Spectroscopy (LIBS), Cavity Ring Down Spectroscopy (CRDS) and Resonance Enhanced Multiphoton Ionization (REMPI). This suite of techniques encompasses a diversity of sensing approaches that can be applied to detection of explosives in condensed phases such as adsorbed species in soil or can be used for vapor phase detection above the source. Some techniques allow for remote detection while others have highly specific and sensitive analysis capabilities. This program is addressing a range of fundamental, technical issues associated with trace detection of explosive related compounds using these techniques. For example, while both LIBS and THz can be used to carry-out remote analysis of condensed phase analyte from a distance in excess several meters, the sensitivities of these techniques to surface adsorbed explosive-related compounds are not currently known. In current implementations, both CRDS and REMPI require sample collection techniques that have not been optimized for environmental applications. Early program elements will pursue the fundamental advances required for these techniques including signature identification for explosive-related compounds/interferents and trace analyte extraction. Later program tasks will explore simultaneous application of two or more techniques to assess the benefits of sensor fusion.

A COMPARISON OF GALAXY COUNTING TECHNIQUES IN SPECTROSCOPICALLY UNDERSAMPLED REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Specian, Mike A.; Szalay, Alex S., E-mail: mspecia1@jhu.edu, E-mail: szalay@jhu.edu

2016-11-01

Accurate measures of galactic overdensities are invaluable for precision cosmology. Obtaining these measurements is complicated when members of one’s galaxy sample lack radial depths, most commonly derived via spectroscopic redshifts. In this paper, we utilize the Sloan Digital Sky Survey’s Main Galaxy Sample to compare seven methods of counting galaxies in cells when many of those galaxies lack redshifts. These methods fall into three categories: assigning galaxies discrete redshifts, scaling the numbers counted using regions’ spectroscopic completeness properties, and employing probabilistic techniques. We split spectroscopically undersampled regions into three types—those inside the spectroscopic footprint, those outside but adjacent to it,more » and those distant from it. Through Monte Carlo simulations, we demonstrate that the preferred counting techniques are a function of region type, cell size, and redshift. We conclude by reporting optimal counting strategies under a variety of conditions.« less

Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms via multiple vibrational spectroscopic fingerprinting.

PubMed

Muhamadali, Howbeer; Subaihi, Abdu; Mohammadtaheri, Mahsa; Xu, Yun; Ellis, David I; Ramanathan, Rajesh; Bansal, Vipul; Goodacre, Royston

2016-08-15

Despite the fact that various microorganisms (e.g., bacteria, fungi, viruses, etc.) have been linked with infectious diseases, their crucial role towards sustaining life on Earth is undeniable. The huge biodiversity, combined with the wide range of biochemical capabilities of these organisms, have always been the driving force behind their large number of current, and, as of yet, undiscovered future applications. The presence of such diversity could be said to expedite the need for the development of rapid, accurate and sensitive techniques which allow for the detection, differentiation, identification and classification of such organisms. In this study, we employed Fourier transform infrared (FT-IR), Raman, and surface enhanced Raman scattering (SERS) spectroscopies, as molecular whole-organism fingerprinting techniques, combined with multivariate statistical analysis approaches for the classification of a range of industrial, environmental or clinically relevant bacteria (P. aeruginosa, P. putida, E. coli, E. faecium, S. lividans, B. subtilis, B. cereus) and yeast (S. cerevisiae). Principal components-discriminant function analysis (PC-DFA) scores plots of the spectral data collected from all three techniques allowed for the clear differentiation of all the samples down to sub-species level. The partial least squares-discriminant analysis (PLS-DA) models generated using the SERS spectral data displayed lower accuracy (74.9%) when compared to those obtained from conventional Raman (97.8%) and FT-IR (96.2%) analyses. In addition, whilst background fluorescence was detected in Raman spectra for S. cerevisiae, this fluorescence was quenched when applying SERS to the same species, and conversely SERS appeared to introduce strong fluorescence when analysing P. putida. It is also worth noting that FT-IR analysis provided spectral data of high quality and reproducibility for the whole sample set, suggesting its applicability to a wider range of samples, and perhaps the most suitable for the analysis of mixed cultures in future studies. Furthermore, our results suggest that while each of these spectroscopic approaches may favour different organisms (sample types), when combined, they would provide complementary and more in-depth knowledge (structural and/or metabolic state) of biological systems. To the best of our knowledge, this is the first time that such a comparative and combined spectroscopic study (using FT-IR, Raman and SERS) has been carried out on microbial samples.

Applications of infrared photo-acoustic spectroscopy for wood samples

Treesearch

Mon-Lin Kuo; John F. McClelland; Siquan Luo; Po-Liang Chien; R.D. Walker; Chung-Yun Hse

1988-01-01

Various infrared (IR) spectroscopic techniques for the analysis of wood samples are briefly discussed. Theories and instrumentation of the newly developed photoacoustic spectroscopic (PAS) technique for measuring absorbance spectra of solids are presented. Some important applications of the PAS technique in wood science research are discussed. The application of the...

Radiation-Induced Changes in Quartz, A Mineral Analog of Nuclear Power Plant Concrete Aggregates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, Chinthaka M.; Rosseel, Thomas M.; Kirkegaard, Marie C.

Quartz single-crystal samples consisting of α-quartz crystal structure were neutron irradiated to fluences of 5 × 10 18, 4 × 10 19, and 2 × 10 20 n/cm 2 (E > 0.1 MeV) at two temperatures (52 and 95 °C). The changes in the α-quartz phase as a function of these two conditions (temperature and fluence) were studied using X-ray powder diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM), and the results acquired using these complementary techniques are presented in a single place for the first time. XRD studies showed that the lattice parameters of α-quartz increased with increasingmore » neutron flux. The lattice growth was larger for the samples that were neutron irradiated at 52 °C than at 95 °C. Moreover, an amorphous content was determined in the quartz samples neutron irradiated at 4 × 10 19 n/cm 2, with the greater amount being in the 52 °C irradiated sample. Complete amorphization of quartz was observed at a fluence of 2 × 10 20 n/cm 2 (E > 0.1 MeV) using XRD and confirmed by TEM characterization and Raman spectroscopic studies. In conclusion, the cause for α-quartz lattice expansion and sample amorphization was also explored using XRD and Raman spectroscopic studies.« less

Radiation-Induced Changes in Quartz, A Mineral Analog of Nuclear Power Plant Concrete Aggregates

DOE PAGES

Silva, Chinthaka M.; Rosseel, Thomas M.; Kirkegaard, Marie C.

2018-03-07

Quartz single-crystal samples consisting of α-quartz crystal structure were neutron irradiated to fluences of 5 × 10 18, 4 × 10 19, and 2 × 10 20 n/cm 2 (E > 0.1 MeV) at two temperatures (52 and 95 °C). The changes in the α-quartz phase as a function of these two conditions (temperature and fluence) were studied using X-ray powder diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM), and the results acquired using these complementary techniques are presented in a single place for the first time. XRD studies showed that the lattice parameters of α-quartz increased with increasingmore » neutron flux. The lattice growth was larger for the samples that were neutron irradiated at 52 °C than at 95 °C. Moreover, an amorphous content was determined in the quartz samples neutron irradiated at 4 × 10 19 n/cm 2, with the greater amount being in the 52 °C irradiated sample. Complete amorphization of quartz was observed at a fluence of 2 × 10 20 n/cm 2 (E > 0.1 MeV) using XRD and confirmed by TEM characterization and Raman spectroscopic studies. In conclusion, the cause for α-quartz lattice expansion and sample amorphization was also explored using XRD and Raman spectroscopic studies.« less

The speciation of aqueous zinc(II) bromide solutions to 500 °C and 900 MPa determined using Raman spectroscopy

USGS Publications Warehouse

Mibe, Kenji; Chou, I-Ming; Anderson, Alan J.; Mayanovic, Robert A.; Bassett, William A.

2009-01-01

A Raman spectral study was carried out on 3 solutions of varying concentration and bromide/zinc ratios. Spectra were collected at 11 different temperature-pressure conditions ranging from ambient to 500????C-0.9??GPa. Raman band assignments for zinc(II) bromide species reported in previous studies were used to determine the relative concentrations of ZnBr42-, ZnBr3-, ZnBr2, and ZnBr+ species at various temperatures and pressures. Our results are in close agreement with X-ray absorption spectroscopic (XAS) data, and confirm that the tetrabromo zinc(II) complex, ZnBr42-, is the predominant species up to 500????C in solutions having high Zn concentrations (1??m) and high bromide/zinc molar ratios ([Br]/[Zn] = 8). In agreement with previous solubility and Raman spectroscopic experiments, our measurements indicate that species with a lower number of halide ligands and charge are favored with increasing temperature in dilute solutions, and solutions with low bromide/zinc ratios ([Br]/[Zn] < 2.5). The Raman technique provides an independent experimental means of evaluating the quality of XAS analyses of data obtained from high temperature disordered systems. The combination of these two techniques provides complementary data on speciation and the structure of zinc(II) bromide complexes. The preponderance of the ZnBr42- species in highly saline brines at high temperature is consistent with the predominance of ZnCl42- in chloride-rich brines reported in previous XAS studies. Knowledge of Zn complexing in metal-rich highly saline brines is important for numerical models of ore deposition in high temperature systems such as skarns and porphyry-type deposits. ?? 2008 Elsevier B.V.

Photochemical Alternation of Phragmites australis Plant Litter: New Insight into the Chemical Evolution of Particulate Organic Matter

NASA Astrophysics Data System (ADS)

Carrasquillo, A. J.; Gelfond, C. E.; Kocar, B. D.

2015-12-01

The photolysis of natural organic matter (NOM) is a potential pathway for the alteration of material that is not easily biodegraded. Irradiation can alter the physical state of organic matter by facilitating the cycling between the particulate (POM) and dissolved (DOM) pools. However, a detailed understanding of the underlying chemical changes to the material in both phases is lacking. Here, we use a suspension of particles derived from Phragmites australis, a common marsh reed with high lignin content, as our model "recalcitrant" POM substrate. The solution was irradiated for three weeks with regular sampling, and the composition of the POM and the photo-produced DOM were measured separately using a suite of mass spectrometric and spectroscopic techniques. The chemical composition of individual molecules was measured by coupling soft ionization techniques (electrospray (ESI) and matrix assisted laser desorption (MALDI) to high-resolution mass spectrometry. Structural information, including the distribution of the major carbon containing functional groups, was obtained using a combination of FTIR for bulk analyses and scanning transmission x-ray microscopy (STXM) for spatially resolved chemistry. Results are discussed in the context of differences in chemical composition and structure with increased irradiation time for both organic matter pools. We observed a general shift in the mass spectra of POM towards lower molecular weight masses and an increase in the abundance of ions in DOM as a function of irradiation time- hence the larger POM matrix is likely fragmenting into smaller species that are more soluble. Spectroscopic measurements indicate that the abundance of acidic and alcohol functionalities increased with irradiation in both carbon pools. These complementary approaches provide new detailed information about how the chemical composition of recalcitrant NOM evolves as it is exposed to sunlight.

Use of in-die powder densification parameters in the implementation of process analytical technologies for tablet production on industrial scale.

PubMed

Cespi, Marco; Perinelli, Diego R; Casettari, Luca; Bonacucina, Giulia; Caporicci, Giuseppe; Rendina, Filippo; Palmieri, Giovanni F

2014-12-30

The use of process analytical technologies (PAT) to ensure final product quality is by now a well established practice in pharmaceutical industry. To date, most of the efforts in this field have focused on development of analytical methods using spectroscopic techniques (i.e., NIR, Raman, etc.). This work evaluated the possibility of using the parameters derived from the processing of in-line raw compaction data (the forces and displacement of the punches) as a PAT tool for controlling the tableting process. To reach this goal, two commercially available formulations were used, changing the quantitative composition and compressing them on a fully instrumented rotary pressing machine. The Heckel yield pressure and the compaction energies, together with the tablets hardness and compaction pressure, were selected and evaluated as discriminating parameters in all the prepared formulations. The apparent yield pressure, as shown in the obtained results, has the necessary sensitivity to be effectively included in a PAT strategy to monitor the tableting process. Additional investigations were performed to understand the criticalities and the mechanisms beyond this performing parameter and the associated implications. Specifically, it was discovered that the efficiency of the apparent yield pressure depends on the nominal drug title, the drug densification mechanism and the error in pycnometric density. In this study, the potential of using some parameters derived from the compaction raw data has been demonstrated to be an attractive alternative and complementary method to the well established spectroscopic techniques to monitor and control the tableting process. The compaction data monitoring method is also easy to set up and very cost effective. Copyright © 2014 Elsevier B.V. All rights reserved.

Synchrotron Intensity Gradients as Tracers of Interstellar Magnetic Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lazarian, A.; Yuen, Ka Ho; Lee, Hyeseung

On the basis of the modern understanding of MHD turbulence, we propose a new way of using synchrotron radiation: using synchrotron intensity gradients (SIGs) for tracing astrophysical magnetic fields. We successfully test the new technique using synthetic data obtained with 3D MHD simulations and provide the demonstration of the practical utility of the technique by comparing the directions of magnetic fields that are obtained with PLANCK synchrotron intensity data to the directions obtained with PLANCK synchrotron polarization data. We demonstrate that the SIGs can reliably trace magnetic fields in the presence of noise and can provide detailed maps of magneticmore » field directions. We also show that the SIGs are relatively robust for tracing magnetic fields while the low spatial frequencies of the synchrotron image are removed. This makes the SIGs applicable to the tracing of magnetic fields using interferometric data with single-dish measurement absent. We discuss the synergy of using the SIGs together with synchrotron polarization in order to find the actual direction of the magnetic fields and quantify the effects of Faraday rotation as well as with other ways of studying astrophysical magnetic fields. We test our method in the presence of noise and the resolution effects. We stress the complementary nature of the studies using the SIG technique and those employing the recently introduced velocity gradient techniques that trace magnetic fields using spectroscopic data.« less

Synchrotron Intensity Gradients as Tracers of Interstellar Magnetic Fields

NASA Astrophysics Data System (ADS)

Lazarian, A.; Yuen, Ka Ho; Lee, Hyeseung; Cho, J.

2017-06-01

On the basis of the modern understanding of MHD turbulence, we propose a new way of using synchrotron radiation: using synchrotron intensity gradients (SIGs) for tracing astrophysical magnetic fields. We successfully test the new technique using synthetic data obtained with 3D MHD simulations and provide the demonstration of the practical utility of the technique by comparing the directions of magnetic fields that are obtained with PLANCK synchrotron intensity data to the directions obtained with PLANCK synchrotron polarization data. We demonstrate that the SIGs can reliably trace magnetic fields in the presence of noise and can provide detailed maps of magnetic field directions. We also show that the SIGs are relatively robust for tracing magnetic fields while the low spatial frequencies of the synchrotron image are removed. This makes the SIGs applicable to the tracing of magnetic fields using interferometric data with single-dish measurement absent. We discuss the synergy of using the SIGs together with synchrotron polarization in order to find the actual direction of the magnetic fields and quantify the effects of Faraday rotation as well as with other ways of studying astrophysical magnetic fields. We test our method in the presence of noise and the resolution effects. We stress the complementary nature of the studies using the SIG technique and those employing the recently introduced velocity gradient techniques that trace magnetic fields using spectroscopic data.

Development of a Multi-modal Tissue Diagnostic System Combining High Frequency Ultrasound and Photoacoustic Imaging with Lifetime Fluorescence Spectroscopy

PubMed Central

Sun, Yang; Stephens, Douglas N.; Park, Jesung; Sun, Yinghua; Marcu, Laura; Cannata, Jonathan M.; Shung, K. Kirk

2010-01-01

We report the development and validate a multi-modal tissue diagnostic technology, which combines three complementary techniques into one system including ultrasound backscatter microscopy (UBM), photoacoustic imaging (PAI), and time-resolved laser-induced fluorescence spectroscopy (TR-LIFS). UBM enables the reconstruction of the tissue microanatomy. PAI maps the optical absorption heterogeneity of the tissue associated with structure information and has the potential to provide functional imaging of the tissue. Examination of the UBM and PAI images allows for localization of regions of interest for TR-LIFS evaluation of the tissue composition. The hybrid probe consists of a single element ring transducer with concentric fiber optics for multi-modal data acquisition. Validation and characterization of the multi-modal system and ultrasonic, photoacoustic, and spectroscopic data coregistration were conducted in a physical phantom with properties of ultrasound scattering, optical absorption, and fluorescence. The UBM system with the 41 MHz ring transducer can reach the axial and lateral resolution of 30 and 65 μm, respectively. The PAI system with 532 nm excitation light from a Nd:YAG laser shows great contrast for the distribution of optical absorbers. The TR-LIFS system records the fluorescence decay with the time resolution of ~300 ps and a high sensitivity of nM concentration range. Biological phantom constructed with different types of tissues (tendon and fat) was used to demonstrate the complementary information provided by the three modalities. Fluorescence spectra and lifetimes were compared to differentiate chemical composition of tissues at the regions of interest determined by the coregistered high resolution UBM and PAI image. Current results demonstrate that the fusion of these techniques enables sequentially detection of functional, morphological, and compositional features of biological tissue, suggesting potential applications in diagnosis of tumors and atherosclerotic plaques. PMID:21894259

Development of a Multi-modal Tissue Diagnostic System Combining High Frequency Ultrasound and Photoacoustic Imaging with Lifetime Fluorescence Spectroscopy.

PubMed

Sun, Yang; Stephens, Douglas N; Park, Jesung; Sun, Yinghua; Marcu, Laura; Cannata, Jonathan M; Shung, K Kirk

2008-01-01

We report the development and validate a multi-modal tissue diagnostic technology, which combines three complementary techniques into one system including ultrasound backscatter microscopy (UBM), photoacoustic imaging (PAI), and time-resolved laser-induced fluorescence spectroscopy (TR-LIFS). UBM enables the reconstruction of the tissue microanatomy. PAI maps the optical absorption heterogeneity of the tissue associated with structure information and has the potential to provide functional imaging of the tissue. Examination of the UBM and PAI images allows for localization of regions of interest for TR-LIFS evaluation of the tissue composition. The hybrid probe consists of a single element ring transducer with concentric fiber optics for multi-modal data acquisition. Validation and characterization of the multi-modal system and ultrasonic, photoacoustic, and spectroscopic data coregistration were conducted in a physical phantom with properties of ultrasound scattering, optical absorption, and fluorescence. The UBM system with the 41 MHz ring transducer can reach the axial and lateral resolution of 30 and 65 μm, respectively. The PAI system with 532 nm excitation light from a Nd:YAG laser shows great contrast for the distribution of optical absorbers. The TR-LIFS system records the fluorescence decay with the time resolution of ~300 ps and a high sensitivity of nM concentration range. Biological phantom constructed with different types of tissues (tendon and fat) was used to demonstrate the complementary information provided by the three modalities. Fluorescence spectra and lifetimes were compared to differentiate chemical composition of tissues at the regions of interest determined by the coregistered high resolution UBM and PAI image. Current results demonstrate that the fusion of these techniques enables sequentially detection of functional, morphological, and compositional features of biological tissue, suggesting potential applications in diagnosis of tumors and atherosclerotic plaques.

Gold surface supported spherical liposome-gold nano-particle nano-composite for label free DNA sensing.

PubMed

Bhuvana, M; Narayanan, J Shankara; Dharuman, V; Teng, W; Hahn, J H; Jayakumar, K

2013-03-15

Immobilization of 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) liposome-gold nano-particle (DOPE-AuNP) nano-composite covalently on 3-mercaptopropionic acid (MPA) on gold surface is demonstrated for the first time for electrochemical label free DNA sensing. Spherical nature of the DOPE on the MPA monolayer is confirmed by the appearance of sigmoidal voltammetric profile, characteristic behavior of linear diffusion, for the MPA-DOPE in presence of [Fe(CN)(6)](3-/4-) and [Ru(NH(3))(6)](3+) redox probes. The DOPE liposome vesicle fusion is prevented by electroless deposition of AuNP on the hydrophilic amine head groups of the DOPE. Immobilization of single stranded DNA (ssDNA) is made via simple gold-thiol linkage for DNA hybridization sensing in the presence of [Fe(CN)(6)](3-/4-). The sensor discriminates the hybridized (complementary target hybridized), un-hybridized (non-complementary target hybridized) and single base mismatch target hybridized surfaces sensitively and selectively without signal amplification. The lowest target DNA concentration detected is 0.1×10(-12)M. Cyclic voltammetry (CV), electrochemical impedance (EIS), differential pulse voltammetry (DPV) and quartz crystal microbalance (QCM) techniques are used for DNA sensing on DOPE-AuNP nano-composite. Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS) and Ultraviolet-Visible (UV) spectroscopic techniques are used to understand the interactions between the DOPE, AuNP and ssDNA. The results indicate the presence of an intact and well defined spherical DOPE-AuNP nano-composite on the gold surface. The method could be applied for fabrication of the surface based liposome-AuNP-DNA composite for cell transfection studies at reduced reagents and costs. Copyright © 2012 Elsevier B.V. All rights reserved.

Recent Advances in Fluorescence Lifetime Analytical Microsystems: Contact Optics and CMOS Time-Resolved Electronics.

PubMed

Wei, Liping; Yan, Wenrong; Ho, Derek

2017-12-04

Fluorescence spectroscopy has become a prominent research tool with wide applications in medical diagnostics and bio-imaging. However, the realization of combined high-performance, portable, and low-cost spectroscopic sensors still remains a challenge, which has limited the technique to the laboratories. A fluorescence lifetime measurement seeks to obtain the characteristic lifetime from the fluorescence decay profile. Time-correlated single photon counting (TCSPC) and time-gated techniques are two key variations of time-resolved measurements. However, commercial time-resolved analysis systems typically contain complex optics and discrete electronic components, which lead to bulkiness and a high cost. These two limitations can be significantly mitigated using contact sensing and complementary metal-oxide-semiconductor (CMOS) implementation. Contact sensing simplifies the optics, whereas CMOS technology enables on-chip, arrayed detection and signal processing, significantly reducing size and power consumption. This paper examines recent advances in contact sensing and CMOS time-resolved circuits for the realization of fully integrated fluorescence lifetime measurement microsystems. The high level of performance from recently reported prototypes suggests that the CMOS-based contact sensing microsystems are emerging as sound technologies for application-specific, low-cost, and portable time-resolved diagnostic devices.

Recent Advances in Fluorescence Lifetime Analytical Microsystems: Contact Optics and CMOS Time-Resolved Electronics

PubMed Central

Yan, Wenrong; Ho, Derek

2017-01-01

Fluorescence spectroscopy has become a prominent research tool with wide applications in medical diagnostics and bio-imaging. However, the realization of combined high-performance, portable, and low-cost spectroscopic sensors still remains a challenge, which has limited the technique to the laboratories. A fluorescence lifetime measurement seeks to obtain the characteristic lifetime from the fluorescence decay profile. Time-correlated single photon counting (TCSPC) and time-gated techniques are two key variations of time-resolved measurements. However, commercial time-resolved analysis systems typically contain complex optics and discrete electronic components, which lead to bulkiness and a high cost. These two limitations can be significantly mitigated using contact sensing and complementary metal-oxide-semiconductor (CMOS) implementation. Contact sensing simplifies the optics, whereas CMOS technology enables on-chip, arrayed detection and signal processing, significantly reducing size and power consumption. This paper examines recent advances in contact sensing and CMOS time-resolved circuits for the realization of fully integrated fluorescence lifetime measurement microsystems. The high level of performance from recently reported prototypes suggests that the CMOS-based contact sensing microsystems are emerging as sound technologies for application-specific, low-cost, and portable time-resolved diagnostic devices. PMID:29207568

Breath Analysis Using Laser Spectroscopic Techniques: Breath Biomarkers, Spectral Fingerprints, and Detection Limits

PubMed Central

Wang, Chuji; Sahay, Peeyush

2009-01-01

Breath analysis, a promising new field of medicine and medical instrumentation, potentially offers noninvasive, real-time, and point-of-care (POC) disease diagnostics and metabolic status monitoring. Numerous breath biomarkers have been detected and quantified so far by using the GC-MS technique. Recent advances in laser spectroscopic techniques and laser sources have driven breath analysis to new heights, moving from laboratory research to commercial reality. Laser spectroscopic detection techniques not only have high-sensitivity and high-selectivity, as equivalently offered by the MS-based techniques, but also have the advantageous features of near real-time response, low instrument costs, and POC function. Of the approximately 35 established breath biomarkers, such as acetone, ammonia, carbon dioxide, ethane, methane, and nitric oxide, 14 species in exhaled human breath have been analyzed by high-sensitivity laser spectroscopic techniques, namely, tunable diode laser absorption spectroscopy (TDLAS), cavity ringdown spectroscopy (CRDS), integrated cavity output spectroscopy (ICOS), cavity enhanced absorption spectroscopy (CEAS), cavity leak-out spectroscopy (CALOS), photoacoustic spectroscopy (PAS), quartz-enhanced photoacoustic spectroscopy (QEPAS), and optical frequency comb cavity-enhanced absorption spectroscopy (OFC-CEAS). Spectral fingerprints of the measured biomarkers span from the UV to the mid-IR spectral regions and the detection limits achieved by the laser techniques range from parts per million to parts per billion levels. Sensors using the laser spectroscopic techniques for a few breath biomarkers, e.g., carbon dioxide, nitric oxide, etc. are commercially available. This review presents an update on the latest developments in laser-based breath analysis. PMID:22408503

UV-fluorescence spectroscopic technique in the diagnosis of breast, ovarian, uterus, and cervix cancer

NASA Astrophysics Data System (ADS)

Das, Bidyut B.; Glassman, Wenling S.; Alfano, Robert R.; Cleary, Joseph; Prudente, R.; Celmer, Edward J.; Lubicz, Stephanie

1991-06-01

Malignant breast tumors can be separated from benign and normal tissues using uv-fluorescence spectroscopic technique. Using the same method one can also distinguish cancerous tissues from noncancerous ones in case of cervix, uterus and ovary.

Non-Destructive and rapid evaluation of staple foods quality by using spectroscopic techniques: A review.

PubMed

Su, Wen-Hao; He, Hong-Ju; Sun, Da-Wen

2017-03-24

Staple foods, including cereals, legumes, and root/tuber crops, dominate the daily diet of humans by providing valuable proteins, starch, oils, minerals, and vitamins. Quality evaluation of staple foods is primarily carried out on sensory (e.g. external defect, color), adulteration (e.g. species, origin), chemical (e.g. starch, proteins), mycotoxin (e.g. Fusarium toxin, aflatoxin), parasitic infection (e.g. weevil, beetle), and internal physiological (e.g. hollow heart, black heart) aspects. Conventional methods for the quality assessment of staple foods are always laborious, destructive, and time-consuming. Requirements for online monitoring of staple foods have been proposed to encourage the development of rapid, reagentless, and noninvasive techniques. Spectroscopic techniques, such as visible-infrared spectroscopy, Raman spectroscopy, nuclear magnetic resonance spectroscopy, and spectral imaging, have been introduced as promising analytical tools and applied for the quality evaluation of staple foods. This review summarizes the recent applications and progress of such spectroscopic techniques in determining various qualities of staple foods. Besides, challenges and future trends of these spectroscopic techniques are also presented.

Linear topology in amorphous metal oxide electrochromic networks obtained via low-temperature solution processing

NASA Astrophysics Data System (ADS)

Llordés, Anna; Wang, Yang; Fernandez-Martinez, Alejandro; Xiao, Penghao; Lee, Tom; Poulain, Agnieszka; Zandi, Omid; Saez Cabezas, Camila A.; Henkelman, Graeme; Milliron, Delia J.

2016-12-01

Amorphous transition metal oxides are recognized as leading candidates for electrochromic window coatings that can dynamically modulate solar irradiation and improve building energy efficiency. However, their thin films are normally prepared by energy-intensive sputtering techniques or high-temperature solution methods, which increase manufacturing cost and complexity. Here, we report on a room-temperature solution process to fabricate electrochromic films of niobium oxide glass (NbOx) and `nanocrystal-in-glass’ composites (that is, tin-doped indium oxide (ITO) nanocrystals embedded in NbOx glass) via acid-catalysed condensation of polyniobate clusters. A combination of X-ray scattering and spectroscopic characterization with complementary simulations reveals that this strategy leads to a unique one-dimensional chain-like NbOx structure, which significantly enhances the electrochromic performance, compared to a typical three-dimensional NbOx network obtained from conventional high-temperature thermal processing. In addition, we show how self-assembled ITO-in-NbOx composite films can be successfully integrated into high-performance flexible electrochromic devices.

X-ray studies of supernova remnants: A different view of supernova explosions

PubMed Central

Badenes, Carles

2010-01-01

The unprecedented spatial and spectral resolutions of Chandra have revolutionized our view of the X-ray emission from supernova remnants. The excellent datasets accumulated on young, ejecta-dominated objects like Cas A or Tycho present a unique opportunity to study at the same time the chemical and physical structure of the explosion debris and the characteristics of the circumstellar medium sculpted by the progenitor before the explosion. Supernova remnants can thus put strong constraints on fundamental aspects of both supernova explosion physics and stellar evolution scenarios for supernova progenitors. This view of the supernova phenomenon is completely independent of, and complementary to, the study of distant extragalactic supernovae at optical wavelengths. The calibration of these two techniques has recently become possible thanks to the detection and spectroscopic follow-up of supernova light echoes. In this paper, I review the most relevant results on supernova remnants obtained during the first decade of Chandra and the impact that these results have had on open issues in supernova research. PMID:20404206

XAS Investigations of PEM Fuel Cells

NASA Astrophysics Data System (ADS)

Roth, Christina; Ramaker, David E.

Polymer-electrolyte membrane (PEM) fuel cells are still far from an area-wide market launch due in part to long-term stability, reliability and cost issues. A more detailed knowledge of the underlying reaction mechanisms is expected to further their application, as it would allow for the design of tailor-made catalysts. However, this will only be possible by complementing traditional in situ studies on single-crystals in electrochemical cells with more sophisticated metal/electrolyte interfacial studies by novel spectroscopic methodologies, which can provide complementary insights into the behaviour of commercial catalysts under real fuel cell operating conditions. This review will focus on the advances of Xray absorption spectroscopy (XAS) in applied fuel cell research utilizing several examples. XAS enables both the nanoparticle morphology and the adsorbate coverage and binding site to be investigated with just one technique. The latter is possible when complementing the conventional extended X-ray absorption fine structure (EXAFS) analysis with the more novel Δμ XANES approach.

Composition and Chemical Variability of Ivoirian Xylopia staudtii Leaf Oil.

PubMed

Yapi, Thierry Acafou; Boti, Jean Brice; Ahibo, Antoine Coffy; Sutour, Sylvain; Bighelli, Ange; Casanova, Joseph; Tomi, Félix

2015-06-01

The chemical composition of a leaf oil sample from Ivoirian Xylopia staudtii Engler & Diels (Annonaceae) has been investigated by a combination of chromatographic [GC(RI)] and spectroscopic (GC-MS, 13C NMR) techniques. Thirty-five components that accounted for 91.8% of the whole composition have been identified. The oil composition was dominated by the furanoguaiadienes furanoguaia-1,4-diene (39.0%) and furanoguaia-1,3-diene(7.5%), and by germacrene D (17.5%). The composition of twelve other leaf oil samples demonstrated qualitative homogeneity, but quantitative variability. Indeed, the contents of the major components varied substantially: furanoguaia-1,4-diene (24.7-51.7%) and germacrene D (5.9-24.8%). The composition of X. staudtii leaf oil is close to that of X. rubescens leaf oil but varied drastically from those of the essential oils isolated from other Xylopia species. 13C NMR spectroscopy appeared as a powerful and complementary tool for analysis of sesquiterpene-rich essential oils.

Polarization and amplitude probes in Hanle effect EIT noise spectroscopy of a buffer gas cell

NASA Astrophysics Data System (ADS)

O'Leary, Shannon; Zheng, Aojie; Crescimanno, Michael

2015-05-01

Noise correlation spectroscopy on systems manifesting Electromagnetically Induced Transparency (EIT) holds promise as a simple, robust method for performing high-resolution spectroscopy used in applications such as EIT-based atomic magnetometry and clocks. While this noise conversion can diminish the precision of EIT applications, noise correlation techniques transform the noise into a useful spectroscopic tool that can improve the application's precision. We study intensity noise, originating from the large phase noise of a semiconductor diode laser's light, in Rb vapor EIT in the Hanle configuration. We report here on our recent experimental work on and complementary theoretical modeling of the effects of light polarization preparation and post-selection on the correlation spectrum and on the independent noise channel traces. We also explain methodology and recent results for delineating the effects of residual laser amplitude fluctuations on the correlation noise resonance as compared to other contributing processes. Understanding these subtleties are essential for optimizing EIT-noise applications.

Spatial localization of excitons and charge carriers in hybrid perovskite thin films

DOE PAGES

Simpson, Mary Jane; Doughty, Benjamin; Yang, Bin; ...

2015-07-21

The fundamental photophysics underlying the remarkably high power conversion efficiency of organic-inorganic hybrid perovskite-based solar cells has been increasingly studied using complementary spectroscopic techniques. The spatially heterogeneous polycrystalline morphology of the photoactive layers owing to the presence of distinct crystalline grains has been generally neglected in optical measurements and therefore the reported results are typically averaged over hundreds or even thousands of such grains. Here, we apply femtosecond transient absorption microscopy to spatially and temporally probe ultrafast electronic excited-state dynamics in pristine methylammonium lead tri-iodide (CH 3NH 3PbI 3) thin films and composite structures. We found that the electronic excited-statemore » relaxation kinetics are extremely sensitive to the sample location probed, which was manifested by position-dependent decay timescales and transient signals. As a result, analysis of transient absorption kinetics acquired at distinct spatial positions enabled us to identify contributions of excitons and free charge carriers.« less

VNIR spectroscopy of Mars Analogues with the ExoMars-Ma_Miss instrument .

NASA Astrophysics Data System (ADS)

De Angelis, S.; De Sanctis, M. C.; Ammannito, E.; Di Iorio, T.; Carli, C.; Frigeri, A.; Capria, M. T.; Federico, C.; Boccaccini, A.; Capaccioni, F.; Giardino, M.; Cerroni, P.; Palomba, E.; Piccioni, G.

The ExoMars 2018 mission will investigate the Martian surface environment with the aim of searching for eventual present or past signs of life, and to obtain a characterization of Martian soil and subsoil. The investigation of the near-surface environment and of the shallow subsurface with complementary techniques, will provide insights on the chemical and mineralogical composition, material grain size, the litotypes, the stratigraphy: these information will help us to understand the geologic processes that characterized the history of the Martian crust. The Ma_Miss (Mars Multispectral Imager for Subsurface Studies) instrument \\citep{coradini01} is a miniaturized visible and near-infrared spectrometer, integrated in the ExoMars Pasteur Rover Drill: it will acquire spectra of the borehole wall performed by the Drill, down to a depth up to two meters. Spectroscopic tests have been performed with the laboratory model (breadboard) on spectral targets and rock samples; furtherly, an activity of VNIR reflectance spectroscopy of Mars analogues has been begun with the breadboard to build a spectral library.

Synthesis, characterization, and pharmacological studies of ferrocene-1H-1,2,3-triazole hybrids

NASA Astrophysics Data System (ADS)

Haque, Ashanul; Hsieh, Ming-Fa; Hassan, Syed Imran; Haque Faizi, Md. Serajul; Saha, Anannya; Dege, Necmi; Rather, Jahangir Ahmad; Khan, Muhammad S.

2017-10-01

A series of ferrocene-1H-1,2,3-triazole hybrids namely 1-(4-nitrophenyl)-4-ferrocenyl-1H-1,2,3-triazole (1), 1-(4,4‧-dinitro-2-biphenyl)-4-ferrocenyl-1H-1,2,3-triazole (2), 1-(3-chloro-4-fluorophenyl)-4-ferrocenyl-1H-1,2,3-triazole (3), 1-(4-bromophenyl)-4-ferrocenyl-1H-1,2,3-triazole (4) and 1-(2-nitrophenyl)-4-ferrocenyl-1H-1,2,3-triazole (5) were designed and synthesized by copper-catalyzed azide alkyne cycloaddition (CuAAC) reaction. All the new hybrids were characterized by microanalyses, NMR (1H and 13C), UV-vis, IR, ESI-MS and electrochemical techniques. Crystal structure of the compound (3) was solved by single crystal X-ray diffraction method. The structural (single crystal) and spectroscopic (UV-Vis. and IR) properties of the compound 3 have been analyzed and compared by complementary quantum modeling. Hybrids 1-5 exhibited low toxicity and demonstrated neuroprotective effect.

Prevention and management of postoperative nausea and vomiting: a look at complementary techniques.

PubMed

Mamaril, Myrna E; Windle, Pamela E; Burkard, Joseph F

2006-12-01

Complementary modalities, used alone or in combination with pharmacologic therapies, play an important role in the prevention and management of postoperative nausea and vomiting (PONV) and post discharge nausea and vomiting (PDNV). This article will review the evidence for the effective use of complementary modalities: acupuncture and related techniques, aromatherapy, and music therapy that may be integrated in the perianesthesia nurse's plan of care to prevent or manage PONV.

Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation.

PubMed

Lee, Joonsup; Wen, Beryl; Carter, Elizabeth A; Combes, Valery; Grau, Georges E R; Lay, Peter A

2017-07-01

Microvesicles (MVs) are involved in cell-cell interactions, including disease pathogenesis. Nondestructive Fourier-transform infrared (FTIR) spectra from MVs were assessed as a technique to provide new biochemical insights into a LPS-induced monocyte model of septic shock. FTIR spectroscopy provided a quick method to investigate relative differences in biomolecular content of different MV populations that was complementary to traditional semiquantitative omics approaches, with which it is difficult to provide information on relative changes between classes (proteins, lipids, nucleic acids, carbohydrates) or protein conformations. Time-dependent changes were detected in biomolecular contents of MVs and in the monocytes from which they were released. Differences in phosphatidylcholine and phosphatidylserine contents were observed in MVs released under stimulation, and higher relative concentrations of RNA and α-helical structured proteins were present in stimulated MVs compared with MVs from resting cells. FTIR spectra of stimulated monocytes displayed changes that were consistent with those observed in the corresponding MVs they released. LPS-stimulated monocytes had reduced concentrations of nucleic acids, α-helical structured proteins, and phosphatidylcholine compared with resting monocytes but had an increase in total lipids. FTIR spectra of MV biomolecular content will be important in shedding new light on the mechanisms of MVs and the different roles they play in physiology and disease pathogenesis.-Lee, J., Wen, B., Carter, E. A., Combes, V., Grau, G. E. R., Lay, P. A. Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation. © FASEB.

Morin-like spin canting in the magnetic CaFe{sub 5}O{sub 7} ferrite: A combined neutron and Mössbauer study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delacotte, C.; Bréard, Y.; Caignaert, V.

2017-03-15

Magnetic structure of CaFe{sub 5}O{sub 7} ferrite has been studied jointly from neutron powder diffraction data and spectroscopic Mössbauer measurements in the thermal range from 5 to 500 K. This coupled work highlights three distinct magnetic domains around two specific temperatures: T{sub M}=125 K and T{sub N}=360 K. The latter corroborates the structural monoclinic-orthorhombic transition previously reported by transmission electron microscopy techniques and X-ray thermodiffractometry. Complementary heat capacity measurements have confirmed this first order transition with a sharp peak at 360 K. Interestingly, this large study has revealed a second magnetic transition associated to a spin rotation at 125 Kmore » similar to this one reported by Morin in α-Fe{sub 2}O{sub 3} hematite at T{sub M}=260 K. - Graphical abstract: Magnetic structure of CaFe{sub 5}O{sub 7} ferrite has been studied jointly from neutron powder diffraction data and spectroscopic Mössbauer measurements in the thermal range from 5 to 500 K. This coupled work highlights three distinct magnetic domains around two specific temperatures: T{sub M}=125 K and T{sub N}=360 K. Interestingly, this large study has revealed a magnetic transition associated to a spin rotation at 125 K similar to this one reported by Morin in α-Fe{sub 2}O{sub 3} hematite at T{sub M}=260 K.« less

Standoff detection of explosives: critical comparison for ensuing options on Raman spectroscopy-LIBS sensor fusion.

PubMed

Moros, J; Lorenzo, J A; Laserna, J J

2011-07-01

In general, any standoff sensor for the effective detection of explosives must meet two basic requirements: first, a capacity to detect the response generated from only a small amount of material located at a distance of several meters (high sensitivity) and second, the ability to provide easily distinguishable responses for different materials (high specificity). Raman spectroscopy and laser-induced breakdown spectroscopy (LIBS) are two analytical techniques which share similar instrumentation and, at the same time, generate complementary data. These factors have been taken into account recently for the design of sensors used in the detection of explosives. Similarly, research on the proper integration of both techniques has been around for a while. A priori, the different operational conditions required by the two techniques oblige the acquisition of the response for each sensor through sequential analysis, previously necessary to define the proper hierarchy of actuation. However, such an approach does not guarantee that Raman and LIBS responses obtained may relate to each other. Nonetheless, the possible advantages arising from the integration of the molecular and elemental spectroscopic information come with an obvious underlying requirement, simultaneous data acquisition. In the present paper, strong and weak points of Raman spectroscopy and LIBS for solving explosives detection problems, in terms of selectivity, sensitivity, and throughput, are critically examined, discussed, and compared for assessing the ensuing options on the fusion of the responses of both sensing technologies.

Development of a dual-modal tissue diagnostic system combining time-resolved fluorescence spectroscopy and ultrasonic backscatter microscopy.

PubMed

Sun, Yang; Park, Jesung; Stephens, Douglas N; Jo, Javier A; Sun, Lei; Cannata, Jonathan M; Saroufeem, Ramez M G; Shung, K Kirk; Marcu, Laura

2009-06-01

We report a tissue diagnostic system which combines two complementary techniques of time-resolved laser-induced fluorescence spectroscopy (TR-LIFS) and ultrasonic backscatter microscopy (UBM). TR-LIFS evaluates the biochemical composition of tissue, while UBM provides tissue microanatomy and enables localization of the region of diagnostic interest. The TR-LIFS component consists of an optical fiber-based time-domain apparatus including a spectrometer, gated multichannel plate photomultiplier, and fast digitizer. It records the fluorescence with high sensitivity (nM concentration range) and time resolution as low as 300 ps. The UBM system consists of a transducer, pulser, receiving circuit, and positioning stage. The transducer used here is 45 MHz, unfocused, with axial and lateral resolutions 38 and 200 microm. Validation of the hybrid system and ultrasonic and spectroscopic data coregistration were conducted both in vitro (tissue phantom) and ex vivo (atherosclerotic tissue specimens of human aorta). Standard histopathological analysis of tissue samples was used to validate the UBM-TRLIFS data. Current results have demonstrated that spatially correlated UBM and TR-LIFS data provide complementary characterization of both morphology (necrotic core and calcium deposits) and biochemistry (collagen, elastin, and lipid features) of the atherosclerotic plaques at the same location. Thus, a combination of fluorescence spectroscopy with ultrasound imaging would allow for better identification of features associated with tissue pathologies. Current design and performance of the hybrid system suggests potential applications in clinical diagnosis of atherosclerotic plaque.

Development of a dual-modal tissue diagnostic system combining time-resolved fluorescence spectroscopy and ultrasonic backscatter microscopy

PubMed Central

Sun, Yang; Park, Jesung; Stephens, Douglas N.; Jo, Javier A.; Sun, Lei; Cannata, Jonathan M.; Saroufeem, Ramez M. G.; Shung, K. Kirk; Marcu, Laura

2009-01-01

We report a tissue diagnostic system which combines two complementary techniques of time-resolved laser-induced fluorescence spectroscopy (TR-LIFS) and ultrasonic backscatter microscopy (UBM). TR-LIFS evaluates the biochemical composition of tissue, while UBM provides tissue microanatomy and enables localization of the region of diagnostic interest. The TR-LIFS component consists of an optical fiber-based time-domain apparatus including a spectrometer, gated multichannel plate photomultiplier, and fast digitizer. It records the fluorescence with high sensitivity (nM concentration range) and time resolution as low as 300 ps. The UBM system consists of a transducer, pulser, receiving circuit, and positioning stage. The transducer used here is 45 MHz, unfocused, with axial and lateral resolutions 38 and 200 μm. Validation of the hybrid system and ultrasonic and spectroscopic data coregistration were conducted both in vitro (tissue phantom) and ex vivo (atherosclerotic tissue specimens of human aorta). Standard histopathological analysis of tissue samples was used to validate the UBM-TRLIFS data. Current results have demonstrated that spatially correlated UBM and TR-LIFS data provide complementary characterization of both morphology (necrotic core and calcium deposits) and biochemistry (collagen, elastin, and lipid features) of the atherosclerotic plaques at the same location. Thus, a combination of fluorescence spectroscopy with ultrasound imaging would allow for better identification of features associated with tissue pathologies. Current design and performance of the hybrid system suggests potential applications in clinical diagnosis of atherosclerotic plaque. PMID:19566223

Development of a dual-modal tissue diagnostic system combining time-resolved fluorescence spectroscopy and ultrasonic backscatter microscopy

NASA Astrophysics Data System (ADS)

Sun, Yang; Park, Jesung; Stephens, Douglas N.; Jo, Javier A.; Sun, Lei; Cannata, Jonathan M.; Saroufeem, Ramez M. G.; Shung, K. Kirk; Marcu, Laura

2009-06-01

We report a tissue diagnostic system which combines two complementary techniques of time-resolved laser-induced fluorescence spectroscopy (TR-LIFS) and ultrasonic backscatter microscopy (UBM). TR-LIFS evaluates the biochemical composition of tissue, while UBM provides tissue microanatomy and enables localization of the region of diagnostic interest. The TR-LIFS component consists of an optical fiber-based time-domain apparatus including a spectrometer, gated multichannel plate photomultiplier, and fast digitizer. It records the fluorescence with high sensitivity (nM concentration range) and time resolution as low as 300 ps. The UBM system consists of a transducer, pulser, receiving circuit, and positioning stage. The transducer used here is 45 MHz, unfocused, with axial and lateral resolutions 38 and 200 μm. Validation of the hybrid system and ultrasonic and spectroscopic data coregistration were conducted both in vitro (tissue phantom) and ex vivo (atherosclerotic tissue specimens of human aorta). Standard histopathological analysis of tissue samples was used to validate the UBM-TRLIFS data. Current results have demonstrated that spatially correlated UBM and TR-LIFS data provide complementary characterization of both morphology (necrotic core and calcium deposits) and biochemistry (collagen, elastin, and lipid features) of the atherosclerotic plaques at the same location. Thus, a combination of fluorescence spectroscopy with ultrasound imaging would allow for better identification of features associated with tissue pathologies. Current design and performance of the hybrid system suggests potential applications in clinical diagnosis of atherosclerotic plaque.

Spectroscopic techniques to study the immune response in human saliva

NASA Astrophysics Data System (ADS)

Nepomnyashchaya, E.; Savchenko, E.; Velichko, E.; Bogomaz, T.; Aksenov, E.

2018-01-01

Studies of the immune response dynamics by means of spectroscopic techniques, i.e., laser correlation spectroscopy and fluorescence spectroscopy, are described. The laser correlation spectroscopy is aimed at measuring sizes of particles in biological fluids. The fluorescence spectroscopy allows studying of the conformational and other structural changings in immune complex. We have developed a new scheme of a laser correlation spectrometer and an original signal processing algorithm. We have suggested a new fluorescence detection scheme based on a prism and an integrating pin diode. The developed system based on the spectroscopic techniques allows studies of complex process in human saliva and opens some prospects for an individual treatment of immune diseases.

Non-Destructive Spectroscopic Techniques and Multivariate Analysis for Assessment of Fat Quality in Pork and Pork Products: A Review

PubMed Central

Kucha, Christopher T.; Liu, Li; Ngadi, Michael O.

2018-01-01

Fat is one of the most important traits determining the quality of pork. The composition of the fat greatly influences the quality of pork and its processed products, and contribute to defining the overall carcass value. However, establishing an efficient method for assessing fat quality parameters such as fatty acid composition, solid fat content, oxidative stability, iodine value, and fat color, remains a challenge that must be addressed. Conventional methods such as visual inspection, mechanical methods, and chemical methods are used off the production line, which often results in an inaccurate representation of the process because the dynamics are lost due to the time required to perform the analysis. Consequently, rapid, and non-destructive alternative methods are needed. In this paper, the traditional fat quality assessment techniques are discussed with emphasis on spectroscopic techniques as an alternative. Potential spectroscopic techniques include infrared spectroscopy, nuclear magnetic resonance and Raman spectroscopy. Hyperspectral imaging as an emerging advanced spectroscopy-based technology is introduced and discussed for the recent development of assessment for fat quality attributes. All techniques are described in terms of their operating principles and the research advances involving their application for pork fat quality parameters. Future trends for the non-destructive spectroscopic techniques are also discussed. PMID:29382092

The origin, composition and history of cometary ices from spectroscopic studies

NASA Technical Reports Server (NTRS)

Allamandola, L. J.

1989-01-01

The spectroscopic analysis of pristine cometary material provides a very important probe of the chemical identity of the material as well as of the physical and chemical conditions which prevailed during the comet's history. Concerning classical spectroscopy, the spectral regions which will most likely prove most useful are the infrared, the visible and ultraviolet. Newer spectroscopic techniques which have the potential to provide equally important information include nuclear magnetic resonance (NMR) and electron spin resonance (ESR). Each technique is summarized with emphasis placed on the kind of information which can be obtained.

Measurements of density, temperature, and their fluctuations in turbulent supersonic flow using UV laser spectroscopy

NASA Technical Reports Server (NTRS)

Fletcher, Douglas G.; Mckenzie, R. L.

1992-01-01

Nonintrusive measurements of density, temperature, and their turbulent fluctuation levels were obtained in the boundary layer of an unseeded, Mach 2 wind tunnel flow. The spectroscopic technique that was used to make the measurements is based on the combination of laser-induced oxygen fluorescence and Raman scattering by oxygen and nitrogen from the same laser pulse. Results from this demonstration experiment are compared with previous measurements obtained in the same facility using conventional probes and an earlier spectroscopic technique. Densities and temperatures measured with the current technique agree with the previous surveys to within 3 percent and 2 percent, respectively. The fluctuation amplitudes for both variables agree with the measurements obtained using the earlier spectroscopic technique and show evidence of an unsteady, weak shock wave that perturbs the boundary layer.

Spectroscopic Investigation of the Primary Reaction Intermediates in the Oxidation of Levitated Droplets of Energetic Ionic Liquids.

PubMed

Brotton, Stephen J; Lucas, Michael; Chambreau, Steven D; Vaghjiani, Ghanshyam L; Yu, Jiang; Anderson, Scott L; Kaiser, Ralf I

2017-12-21

The production of the next generation of hypergolic, ionic-liquid-based fuels requires an understanding of the reaction mechanisms between the ionic liquid and oxidizer. We probed reactions between a levitated droplet of 1-methyl-4-amino-1,2,4-triazolium dicyanamide ([MAT][DCA]), with and without hydrogen-capped boron nanoparticles, and the nitrogen dioxide (NO 2 ) oxidizer. The apparatus exploits an ultrasonic levitator enclosed within a pressure-compatible process chamber equipped with complementary Raman, ultraviolet-visible, and Fourier-transform infrared (FTIR) spectroscopic probes. Vibrational modes were first assigned to the FTIR and Raman spectra of droplets levitated in argon. Spectra were subsequently collected for pure and boron-doped [MAT][DCA] exposed to nitrogen dioxide. By comparison with electronic structure calculations, some of the newly formed modes suggest that the N atom of the NO 2 molecule bonds to a terminal N on the dicyanamide anion yielding [O 2 N-NCNCN] - . This represents the first spectroscopic evidence of a key reaction intermediate in the oxidation of levitated ionic liquid droplets.

Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life

NASA Astrophysics Data System (ADS)

Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E.; Drew, H. Dennis; Ali, Ashraf

2017-09-01

To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets; I.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to advances in many different techniques and NASA’s successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets’ atmospheres and prebiotic molecule signatures in Titan-like atmospheres, by observing their absorption during transits. Although the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6-29 μm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks, and on Titan are also offered by interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array. In the present work, target molecules have been selected, and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles, oxirane and protonated oxirane; (2) the cyclopropenyl cation and its methyl derivative; (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, I.e., the phenalenyl cation ({{{C}}}13{{{{H}}}9}+) and anion ({{{C}}}13{{{{H}}}9}-); and (4) uracil, a specific RNA base.

Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life.

PubMed

Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E; Drew, Dennis; Ali, Ashraf

2017-08-04

To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets, i.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to the advances in many different techniques and to the NASA successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets' atmospheres and of prebiotic molecule signatures in Titan-like atmospheres by observing their absorption during transits. While the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6 - 29 µm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks and on Titan are also offered by the interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array (ALMA). In the present work, target molecules have been selected and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles: oxirane and protonated oxirane, (2) the cyclopropenyl cation and its methyl derivative, (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, i.e., the phenalenyl cation (C 13 H 9 + ) and anion (C 13 H 9 -), and (4) uracil, a specific RNA base.

Use of Advanced Spectroscopic Techniques for Predicting the Mechanical Properties of Wood Composites

Treesearch

Timothy G. Rials; Stephen S. Kelley; Chi-Leung So

2002-01-01

Near infrared (NIR) spectroscopy was used to characterize a set of medium-density fiberboard (MDF) samples. This spectroscopic technique, in combination with projection to latent structures (PLS) modeling, effectively predicted the mechanical strength of MDF samples with a wide range of physical properties. The stiffness, strength, and internal bond properties of the...

Spectroscopic determination of anthraquinone in kraft pulping liquors using a membrane interface

Treesearch

X.S. Chai; X.T. Yang; Q.X. Hou; J.Y. Zhu; L.-G. Danielsson

2003-01-01

A spectroscopic technique for determining AQ in pulping liquor was developed to effectively separate AQ from dissolved lignin. This technique is based on a flow analysis system with a Nafion membrane interface. The AQ passed through the membrane is converted into its reduced form, AHQ, using sodium hydrosulfite. AHQ has distinguished absorption characteristics in the...

Spectroscopic properties for identifying sapphire samples from Ban Bo Kaew, Phrae Province, Thailand

NASA Astrophysics Data System (ADS)

Mogmued, J.; Monarumit, N.; Won-in, K.; Satitkune, S.

2017-09-01

Gemstone commercial is a high revenue for Thailand especially ruby and sapphire. Moreover, Phrae is a potential gem field located in the northern part of Thailand. The studies of spectroscopic properties are mainly to identify gemstone using advanced techniques (e.g. UV-Vis-NIR spectrophotometry, FTIR spectrometry and Raman spectroscopy). Typically, UV-Vis-NIR spectrophotometry is a technique to study the cause of color in gemstones. FTIR spectrometry is a technique to study the functional groups in gem-materials. Raman pattern can be applied to identify the mineral inclusions in gemstones. In this study, the natural sapphires from Ban Bo Kaew were divided into two groups based on colors including blue and green. The samples were analyzed by UV-Vis-NIR spectrophotometer, FTIR spectrometer and Raman spectroscope for studying spectroscopic properties. According to UV-Vis-NIR spectra, the blue sapphires show higher Fe3+/Ti4+ and Fe2+/Fe3+ absorption peaks than those of green sapphires. Otherwise, green sapphires display higher Fe3+/Fe3+ absorption peaks than blue sapphires. The FTIR spectra of both blue and green sapphire samples show the absorption peaks of -OH,-CH and CO2. The mineral inclusions such as ferrocolumbite and rutile in sapphires from this area were observed by Raman spectroscope. The spectroscopic properties of sapphire samples from Ban Bo Kaew, Phrae Province, Thailand are applied to be the specific evidence for gemstone identification.

Complementary and alternative medicine usage and its determinant factors among Iranian infertile couples.

PubMed

Dehghan, Mahlagha; Mokhtarabadi, Sima; Heidari, Fatemeh Ghaedi

2018-04-04

Background The aim of this study was to determine the status of utilizing some complementary and alternative medicine techniques in infertile couples. Methods This was a cross-sectional study conducted on 250 infertile couples referred to a hospital in Kerman using convenience sampling. A researcher-made questionnaire was used to study the prevalence and user satisfaction of complementary and alternative medicines. Results Results indicated that 49.6% of the infertile couples used at least one of the complementary and alternative medicines during the past year. Most individuals used spiritual techniques (71.8% used praying and 70.2% used Nazr) and medicinal plants (54.8%). Safety is the most important factor affecting the satisfaction of infertile couples with complementary treatments (couples think that such treatments are safe (54.8%)). Discussion Concerning high prevalence of complementary and alternative treatments in infertile couples, incorporating such treatments into the healthcare education and promoting the awareness of infertile individuals seem crucial.

Application of a modified complementary filtering technique for increased aircraft control system frequency bandwidth in high vibration environment

NASA Technical Reports Server (NTRS)

Garren, J. F., Jr.; Niessen, F. R.; Abbott, T. S.; Yenni, K. R.

1977-01-01

A modified complementary filtering technique for estimating aircraft roll rate was developed and flown in a research helicopter to determine whether higher gains could be achieved. Use of this technique did, in fact, permit a substantial increase in system frequency bandwidth because, in comparison with first-order filtering, it reduced both noise amplification and control limit-cycle tendencies.

Use of different spectroscopic techniques in the analysis of Roman age wall paintings.

PubMed

Agnoli, Francesca; Calliari, Irene; Mazzocchin, Gian-Antonio

2007-01-01

In this paper the analysis of samples of Roman age wall paintings coming from: Pordenone, Vicenza and Verona is carried out by using three different techniques: energy dispersive x-rays spectroscopy (EDS), x-rays fluorescence (XRF) and proton induced x-rays emission (PIXE). The features of the three spectroscopic techniques in the analysis of samples of archaeological interest are discussed. The studied pigments were: cinnabar, yellow ochre, green earth, Egyptian blue and carbon black.

Discovering complementary colors from the perspective of steam education

NASA Astrophysics Data System (ADS)

Karabey, Burak; Yigit Koyunkaya, Melike; Enginoglu, Turan; Yurumezoglu, Kemal

2018-05-01

This study explored the theory and applications of complementary colors using a technology-based activity designed from the perspective of STEAM education. Complementary colors and their areas of use were examined from the perspective of physics, mathematics and art, respectively. The study, which benefits from technology, makes the theory of complementary colors accessible to all through practical applications and provides a multidisciplinary, integrated and innovative technique of teaching the subject of colors, which could be used to teach complementary colors.

Continuous statistical modelling for rapid detection of adulteration of extra virgin olive oil using mid infrared and Raman spectroscopic data.

PubMed

Georgouli, Konstantia; Martinez Del Rincon, Jesus; Koidis, Anastasios

2017-02-15

The main objective of this work was to develop a novel dimensionality reduction technique as a part of an integrated pattern recognition solution capable of identifying adulterants such as hazelnut oil in extra virgin olive oil at low percentages based on spectroscopic chemical fingerprints. A novel Continuous Locality Preserving Projections (CLPP) technique is proposed which allows the modelling of the continuous nature of the produced in-house admixtures as data series instead of discrete points. The maintenance of the continuous structure of the data manifold enables the better visualisation of this examined classification problem and facilitates the more accurate utilisation of the manifold for detecting the adulterants. The performance of the proposed technique is validated with two different spectroscopic techniques (Raman and Fourier transform infrared, FT-IR). In all cases studied, CLPP accompanied by k-Nearest Neighbors (kNN) algorithm was found to outperform any other state-of-the-art pattern recognition techniques. Copyright © 2016 Elsevier Ltd. All rights reserved.

In vivo spectroscopic photoacoustic tomography imaging of a far red fluorescent protein expressed in the exocrine pancreas of adult zebrafish

NASA Astrophysics Data System (ADS)

Liu, Mengyang; Schmitner, Nicole; Sandrian, Michelle G.; Zabihian, Behrooz; Hermann, Boris; Salvenmoser, Willi; Meyer, Dirk; Drexler, Wolfgang

2014-03-01

Fluorescent proteins brought a revolution in life sciences and biological research in that they make a powerful tool for researchers to study not only the structural and morphological information, but also dynamic and functional information in living cells and organisms. While green fluorescent proteins (GFP) have become a common labeling tool, red-shifted or even near infrared fluorescent proteins are becoming the research focus due to the fact that longer excitation wavelengths are more suitable for deep tissue imaging. In this study, E2-Crimson, a far red fluorescent protein whose excitation wavelength is 611 nm, was genetically expressed in the exocrine pancreas of adult zebrafish. Using spectroscopic all optical detection photoacoustic tomography, we mapped the distribution of E2-Crimson in 3D after imaging the transgenic zebrafish in vivo using two different wavelengths. With complementary morphological information provided by imaging the same fish using a spectral domain optical coherence tomography system, the E2-Crimson distribution acquired from spectroscopic photoacoustic tomography was confirmed in 2D by epifluorescence microscopy and in 3D by histology. To the authors' knowledge, this is the first time a far red fluorescent protein is imaged in vivo by spectroscopic photoacoustic tomography. Due to the regeneration feature of zebrafish pancreas, this work preludes the longitudinal studies of animal models of diseases such as pancreatitis by spectroscopic photoacoustic tomography. Since the effective penetration depth of photoacoustic tomography is beyond the transport mean free path length, other E2-Crimson labeled inner organs will also be able to be studied dynamically using spectroscopic photoacoustic tomography.

An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

PubMed

Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

2015-04-15

Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

X-ray emission spectroscopy to study ligand valence orbitals in Mn coordination complexes

PubMed Central

Smolentsev, Grigory; Soldatov, Alexander V; Messinger, Johannes; Merz, Kathrin; Weyhermüller, Thomas; Bergmann, Uwe; Pushkar, Yulia; Yano, Junko; Yachandra, Vittal K.; Glatzel, Pieter

2009-01-01

We discuss a spectroscopic method to determine the character of chemical bonding and for the identification of metal ligands in coordination and bioinorganic chemistry. It is based on the analysis of satellite lines in x-ray emission spectra that arise from transitions between valence orbitals and the metal ion 1s level (valence-to-core XES). The spectra, in connection with calculations based on density functional theory (DFT), provide information that is complementary to other spectroscopic techniques, in particular x-ray absorption (XANES and EXAFS). The spectral shape is sensitive to protonation of ligands and allows ligands, which differ only slightly in atomic number (e.g. C, N, O...), to be distinguished . A theoretical discussion of the main spectral features is presented in terms of molecular orbitals for a series of Mn model systems: [Mn(H2O)6]2+, [Mn(H2O)5OH]+, [Mn(H2O)5NH2]+ and [Mn(H2O)5NH3]2+. An application of the method, with comparison between theory and experiment, is presented for solvated Mn2+ ion in water and three Mn coordination complexes, namely [LMn(acac)N3]BPh4, [LMn(B2O3Ph2)(ClO4)] and [LMn(acac)N]BPh4 where L represents 1,4,7-trimethyl-1,4,7-triazacyclononane, acac stands for the 2,4-pentanedionate anion and B2O3Ph2 represents the 1,3-diphenyl-1,3-dibora-2-oxapropane-1,3-diolato dianion. PMID:19663435

Optical properties of ultrathin CIGS films studied by spectroscopic ellipsometry assisted by chemical engineering

NASA Astrophysics Data System (ADS)

Loubat, Anaïs; Eypert, Céline; Mollica, Fabien; Bouttemy, Muriel; Naghavi, Negar; Lincot, Daniel; Etcheberry, Arnaud

2017-11-01

CIGS (Cu(In1-x,Gax)Se2) based devices are very efficient for photovoltaic conversion. A non-destructive optical study of CIGS is an important challenge as for evaluation of the material quality, and for device modeling. Spectroscopic Ellipsometry (SE) is well adapted for a quantitative characterization only if the handicaps of the roughness limitation, the oxidized surface, or the compositional gradient are minimized. For this SE study, ungraded and thin CIGS samples are prepared with GGI (x) ratio (=[Ga]/([Ga] + [In])) ranging from 0.15 to 0.60. Thanks to chemical engineering based on acidic bromine solution etching and/or HCl de-oxidation, the SE experiments are performed on flattened surfaces, and also, on as grown de-oxidized samples. Using assumptions based on XPS, AFM and SEM complementary characterizations, we give proof of oxide free flattening surfaces and chemical homogeneity in depth. Using these observations, the SE data are modeled on the basis of a three layer model using an Adachi/Tauc-Lorentz formula for the CIGS dispersion. The optical gap values are determined in good agreement with the x ratio measured by the other characterization techniques. SE is able to well estimate the thickness and roughness variations on each sample. Furthermore, the CIGS optical constant extracted on such reference flat surfaces are then applied to the as grown-de-oxidized surfaces, enabling to describe the SE data obtained on rougher surfaces. A complete consistency of the proposed model is shown as well as the capability of SE to be sensitive to the chemistry of the surface.

Investigation of the Brill transition in nylon 6,6 by Raman, THz-Raman, and two-dimensional correlation spectroscopy.

PubMed

Bertoldo Menezes, D; Reyer, A; Musso, M

2018-02-05

The Brill transition is a phase transition process in polyamides related with structural changes between the hydrogen bonds of the lateral functional groups (CO) and (NH). In this study, we have used the potential of Raman spectroscopy for exploring this phase transition in polyamide 6,6 (nylon 6,6), due to the sensitivity of this spectroscopic technique to small intermolecular changes affecting vibrational properties of relevant functional groups. During a step by step heating and cooling process of the sample we collected Raman spectra allowing us from two-dimensional Raman correlation spectroscopy to identify which spectral regions suffered the largest influence during the Brill transition, and from Terahertz Stokes and anti-Stokes Raman spectroscopy to obtain complementary information, e.g. on the temperature of the sample. This allowed us to grasp signatures of the Brill transition from peak parameters of vibrational modes associated with (CC) skeletal stretches and (CNH) bending, and to verify the Brill transition temperature at around 160°C, as well as the reversibility of this phase transition. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparison of stimulated and spontaneous laser-radar methods for the remote sensing of ocean physical properties

NASA Astrophysics Data System (ADS)

Leonard, Donald A.; Sweeney, Harold E.

1990-09-01

The physical properties of ocean water, in the top few ten meters, are of great interest in the scientific, engineering, and general oceanographic communities. Subsurface profiles of temperature, salinity, and sound speed measured by laser radar in real time on a synoptic basis over a wide area from an airborne platform would provide valuable information complementary to the data that is now readily available. The laser-radar technique specifically applicable to ocean sensing uses spectroscopic analysis of the inelastic backscattered optical signal. Two methods have received considerable attention for remote sensing and both have been demonstrated in field experiments. These are spontaneous Raman1 and spontaneous Brillouin2 scattering. A discussion of these two processes and a comparison of their properties that are useful for remote sensing was presented3 at SPIE Ocean Optics IX. This paper compares ocean remote sensing using stimulated Brillouin scattering (SBS) and stimulated Raman scattering (SRS) processes with better known spontaneous methods. The results of laboratory measurements of temperature using SBS and some preliminary results of SRS are presented with extensions to performance estimates of potential field systems.

Moment Method and Pixel-by-Pixel Method: Complementary Mode Identification I. Testing FG Vir-like pulsation modes

NASA Astrophysics Data System (ADS)

Zima, W.; Kolenberg, K.; Briquet, M.; Breger, M.

2004-06-01

We have carried out a Hare-and-Hound test to determine the reliability of the Moment Method (Briquet & Aerts 2003) and the Pixel-by-Pixel Method (Mantegazza 2000) for the identification of pulsation modes in Delta Scuti stars. For this purpose we calculated synthetic line profiles, exhibiting six pulsation modes of low degree and with input parameters initially unknown to us. The aim was to test and increase the quality of the mode identification by applying both methods independently and by using a combined technique. Our results show that, whereas the azimuthal order m and its sign can be fixed by both methods, the degree l is not determined unambiguously. Both identification methods show a better reliability if multiple modes are fitted simultaneously. In particular, the inclination angle is better determined. We have to emphasize that the outcome of this test is only meaningful for stars having pulsational velocities below 0.2 vsini. This is the first part of a series of articles, in which we will test these spectroscopic identification methods.

Understanding Zeeman EIT Noise Correlation Spectra in Buffered Rb Vapor

NASA Astrophysics Data System (ADS)

O'Leary, Shannon; Zheng, Aojie; Crescimanno, Michael

2014-05-01

Noise correlation spectroscopy on systems manifesting Electromagnetically Induced Transparency (EIT) holds promise as a simple, robust method for performing high-resolution spectroscopy used in applications such as EIT-based atomic magnetometry and clocks. During laser light's propagation through a resonant medium, interaction with the medium converts laser phase noise into intensity noise. While this noise conversion can diminish the precision of EIT applications, noise correlation techniques transform the noise into a useful spectroscopic tool that can improve the application's precision. Using a single diode laser with large phase noise, we examine laser intensity noise and noise correlations from Zeeman EIT in a buffered Rb vapor. Of particular interest is a narrow noise correlation feature, resonant with EIT, that has been shown in earlier work to be power-broadening resistant at low powers. We report here on our recent experimental work and complementary theoretical modeling on EIT noise spectra, including a study of power broadening of the narrow noise correlation feature. Understanding the nature of the noise correlation spectrum is essential for optimizing EIT-noise applications.

Verification of band offsets and electron effective masses in GaAsN/GaAs quantum wells: Spectroscopic experiment versus 10-band k·p modeling

NASA Astrophysics Data System (ADS)

Ryczko, K.; Sek, G.; Sitarek, P.; Mika, A.; Misiewicz, J.; Langer, F.; Höfling, S.; Forchel, A.; Kamp, M.

2013-06-01

Optical transitions in GaAs1-xNx/GaAs quantum wells (QWs) have been probed by two complementary techniques, modulation spectroscopy in a form of photoreflectance and surface photovoltage spectroscopy. Transition energies in QWs of various widths and N contents have been compared with the results of band structure calculations based on the 10-band k.p Hamiltonian. Due to the observation of higher order transitions in the measured spectra, the band gap discontinuities at the GaAsN/GaAs interface and the electron effective masses could be determined, both treated as semi-free parameters to get the best matching between the theoretical and experimental energies. We have obtained the chemical conduction band offset values of 86% for x = 1.2% and 83% for x = 2.2%, respectively. For these determined band offsets, the electron effective masses equal to about 0.09 mo in QWs with 1.2% N and 0.15 mo for the case of larger N content of 2.2%.

Science with MATISSE

NASA Astrophysics Data System (ADS)

Wolf, Sebastian; Lopez, Bruno; Augereau, Jean-Charles; Delbo, Marco; Dominik, Carsten; Henning, Thomas; Hofmann, Karl-Heinz; Hogerheijde, Michiel; Hron, Josef; Jaffe, Walter; Lanz, Thierry; Meisenheimer, Klaus; Millour, Florentin; Pantin, Eric; Petrov, Roman; Schertl, Dieter; van Boekel, Roy; Weigelt, Gerd; Chiavassa, Andrea; Juhasz, Attila; Matter, Alexis; Meilland, Anthony; Nardetto, Nicolas; Paladini, Claudia

2016-07-01

We present an overview of the scientific potential of MATISSE, the Multi Aperture mid-Infrared SpectroScopic Experiment for the Very Large Telescope Interferometer. For this purpose we outline selected case studies from various areas, such as star and planet formation, active galactic nuclei, evolved stars, extrasolar planets, and solar system minor bodies and discuss strategies for the planning and analysis of future MATISSE observations. Moreover, the importance of MATISSE observations in the context of complementary high-angular resolution observations at near-infrared and submillimeter/millimeter wavelengths is highlighted.

Infrared Spectroscopic Imaging of Latent Fingerprints and Associated Forensic Evidence

PubMed Central

Chen, Tsoching; Schultz, Zachary D.; Levin, Ira W.

2011-01-01

Fingerprints reflecting a specific chemical history, such as exposure to explosives, are clearly distinguished from overlapping, and interfering latent fingerprints using infrared spectroscopic imaging techniques and multivariate analysis. PMID:19684917

The IACOB project. V. Spectroscopic parameters of the O-type stars in the modern grid of standards for spectral classification

NASA Astrophysics Data System (ADS)

Holgado, G.; Simón-Díaz, S.; Barbá, R. H.; Puls, J.; Herrero, A.; Castro, N.; Garcia, M.; Maíz Apellániz, J.; Negueruela, I.; Sabín-Sanjulián, C.

2018-06-01

Context. The IACOB and OWN surveys are two ambitious, complementary observational projects which have made available a large multi-epoch spectroscopic database of optical high resolution spectra of Galactic massive O-type stars. Aims: Our aim is to study the full sample of (more than 350) O stars surveyed by the IACOB and OWN projects. As a first step towards this aim, we have performed the quantitative spectroscopic analysis of a subsample of 128 stars included in the modern grid of O-type standards for spectral classification. The sample comprises stars with spectral types in the range O3-O9.7 and covers all luminosity classes. Methods: We used the semi-automatized IACOB-BROAD and IACOB-GBAT/FASTWIND tools to determine the complete set of spectroscopic parameters that can be obtained from the optical spectrum of O-type stars. A quality flag was assigned to the outcome of the IACOB-GBAT/FASTWIND analysis for each star, based on a visual evaluation of how the synthetic spectrum of the best fitting FASTWIND model reproduces the observed spectrum. We also benefitted from the multi-epoch character of the IACOB and OWN surveys to perform a spectroscopic variability study of the complete sample, providing two different flags for each star accounting for spectroscopic binarity as well as variability of the main wind diagnostic lines. Results: We obtain - for the first time in a homogeneous and complete manner - the full set of spectroscopic parameters of the "anchors" of the spectral classification system in the O star domain. We provide a general overview of the stellar and wind parameters of this reference sample, as well as updated recipes for the SpT-Teff and SpT-log g calibrations for Galactic O-type stars. We also propose a distance-independent test for the wind-momentum luminosity relationship. We evaluate the reliability of our semi-automatized analysis strategy using a subsample of 40 stars extensively studied in the literature, and find a fairly good agreement between our derived effective temperatures and gravities and those obtained by means of more traditional "by-eye" techniques and different stellar atmosphere codes. The overall agreement between the synthetic spectra associated with the IACOB-GBAT/FASTWIND best fitting models and the observed spectra is good for most of the analyzed targets, but 46 stars out of the 128 present a particular behavior of the wind diagnostic lines that cannot be reproduced by our grid of spherically symmetric unclumped models. These are potential targets of interest for more detailed investigations of clumpy winds and/or the existence of additional circumstellar emitting components contaminating the wind diagnostic lines (e.g., disks, magnetospheres). Last, our spectroscopic variability study has led to the detection of clear or likely signatures of spectroscopic binarity in 27% of the stars and small amplitude radial velocity variations in the photospheric lines of another 30%. Additionally, 31% of the investigated stars show variability in the wind diagnostic lines. Tables D.1 and D.2 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/613/A65

Applications of QCL mid-IR imaging to the advancement of pathology

NASA Astrophysics Data System (ADS)

Sreedhar, Hari; Varma, Vishal K.; Bird, Benjamin; Guzman, Grace; Walsh, Michael J.

2017-03-01

Quantum Cascade Laser (QCL) spectroscopic imaging is a novel technique with many potential applications to histopathology. Like traditional Fourier Transform Infrared (FT-IR) imaging, QCL spectroscopic imaging derives biochemical data coupled to the spatial information of a tissue sample, and can be used to improve the diagnostic and prognostic value of assessment of a tissue biopsy. This technique also offers advantages over traditional FT-IR imaging, specifically the capacity for discrete frequency and real-time imaging. In this work we present applications of QCL spectroscopic imaging to tissue samples, including discrete frequency imaging, to compare with FT-IR and its potential value to pathology.

THROES: a caTalogue of HeRschel Observations of Evolved Stars. I. PACS range spectroscopy

NASA Astrophysics Data System (ADS)

Ramos-Medina, J.; Sánchez Contreras, C.; García-Lario, P.; Rodrigo, C.; da Silva Santos, J.; Solano, E.

2018-03-01

This is the first of a series of papers presenting the THROES (A caTalogue of HeRschel Observations of Evolved Stars) project, intended to provide a comprehensive overview of the spectroscopic results obtained in the far-infrared (55-670 μm) with the Herschel space observatory on low-to-intermediate mass evolved stars in our Galaxy. Here we introduce the catalogue of interactively reprocessed Photoconductor Array Camera and Spectrometer (PACS) spectra covering the 55-200 μm range for 114 stars in this category for which PACS range spectroscopic data is available in the Herschel Science Archive (HSA). Our sample includes objects spanning a range of evolutionary stages, from the asymptotic giant branch to the planetary nebula phase, displaying a wide variety of chemical and physical properties. The THROES/PACS catalogue is accessible via a dedicated web-based interface and includes not only the science-ready Herschel spectroscopic data for each source, but also complementary photometric and spectroscopic data from other infrared observatories, namely IRAS, ISO, or AKARI, at overlapping wavelengths. Our goal is to create a legacy-value Herschel dataset that can be used by the scientific community in the future to deepen our knowledge and understanding of these latest stages of the evolution of low-to-intermediate mass stars. The THROES/PACS catalogue is accessible at http://https://throes.cab.inta-csic.es/

Assessment of recent advances in measurement techniques for atmospheric carbon dioxide and methane observations

NASA Astrophysics Data System (ADS)

Zellweger, Christoph; Emmenegger, Lukas; Firdaus, Mohd; Hatakka, Juha; Heimann, Martin; Kozlova, Elena; Spain, T. Gerard; Steinbacher, Martin; van der Schoot, Marcel V.; Buchmann, Brigitte

2016-09-01

Until recently, atmospheric carbon dioxide (CO2) and methane (CH4) measurements were made almost exclusively using nondispersive infrared (NDIR) absorption and gas chromatography with flame ionisation detection (GC/FID) techniques, respectively. Recently, commercially available instruments based on spectroscopic techniques such as cavity ring-down spectroscopy (CRDS), off-axis integrated cavity output spectroscopy (OA-ICOS) and Fourier transform infrared (FTIR) spectroscopy have become more widely available and affordable. This resulted in a widespread use of these techniques at many measurement stations. This paper is focused on the comparison between a CRDS "travelling instrument" that has been used during performance audits within the Global Atmosphere Watch (GAW) programme of the World Meteorological Organization (WMO) with instruments incorporating other, more traditional techniques for measuring CO2 and CH4 (NDIR and GC/FID). We demonstrate that CRDS instruments and likely other spectroscopic techniques are suitable for WMO/GAW stations and allow a smooth continuation of historic CO2 and CH4 time series. Moreover, the analysis of the audit results indicates that the spectroscopic techniques have a number of advantages over the traditional methods which will lead to the improved accuracy of atmospheric CO2 and CH4 measurements.

Solar flares observed simultaneously with SphinX, GOES and RHESSI

NASA Astrophysics Data System (ADS)

Mrozek, Tomasz; Gburek, Szymon; Siarkowski, Marek; Sylwester, Barbara; Sylwester, Janusz; Kępa, Anna; Gryciuk, Magdalena

2013-07-01

In February 2009, during recent deepest solar minimum, Polish Solar Photometer in X-rays (SphinX) begun observations of the Sun in the energy range of 1.2-15 keV. SphinX was almost 100 times more sensitive than GOES X-ray Sensors. The silicon PIN diode detectors used in the experiment were carefully calibrated on the ground using Synchrotron Radiation Source BESSY II. The SphinX energy range overlaps with the Ramaty High Energy Solar Spectroscopic Imager (RHESSI) energy range. The instrument provided us with observations of hundreds of very small flares and X-ray brightenings. We have chosen a group of solar flares observed simultaneously with GOES, SphinX and RHESSI and performed spectroscopic analysis of observations wherever possible. The analysis of thermal part of the spectra showed that SphinX is a very sensitive complementary observatory for RHESSI and GOES.

Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials

PubMed Central

Wu, Peiwen; Yu, Yang; McGhee, Claire E.; Tan, Li Huey

2014-01-01

In this review, we summarize recent progresses in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insights gained from these studies are described and future directions of this field are also discussed. PMID:25205057

Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials

DOE PAGES

Wu, Peiwen; Yu, Yang; McGhee, Claire E.; ...

2014-09-10

In this paper, we summarize recent progress in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insightsmore » gained from these studies are described and future directions of this field are also discussed.« less

Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer.

PubMed

Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J; Salavastru, Carmen; Antoniou, Christina

2013-06-01

The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC.

Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer

NASA Astrophysics Data System (ADS)

Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J.; Salavastru, Carmen; Antoniou, Christina

2013-06-01

The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC.

Chemical mapping of pharmaceutical cocrystals using terahertz spectroscopic imaging.

PubMed

Charron, Danielle M; Ajito, Katsuhiro; Kim, Jae-Young; Ueno, Yuko

2013-02-19

Terahertz (THz) spectroscopic imaging is a promising technique for distinguishing pharmaceuticals of similar molecular composition but differing crystal structures. Physicochemical properties, for instance bioavailability, are manipulated by altering a drug's crystal structure through methods such as cocrystallization. Cocrystals are molecular complexes having crystal structures different from those of their pure components. A technique for identifying the two-dimensional distribution of these alternate forms is required. Here we present the first demonstration of THz spectroscopic imaging of cocrystals. THz spectra of caffeine-oxalic acid cocrystal measured at low temperature exhibit sharp peaks, enabling us to visualize the cocrystal distribution in nonuniform tablets. The cocrystal distribution was clearly identified using THz spectroscopic data, and the cocrystal concentration was calculated with 0.3-1.3% w/w error from the known total concentration. From this result, THz spectroscopy allows quantitative chemical mapping of cocrystals and offers researchers and drug developers a new analytical tool.

FAST CARS: Engineering a laser spectroscopic technique for rapid identification of bacterial spores

PubMed Central

Scully, M. O.; Kattawar, G. W.; Lucht, R. P.; Opatrný, T.; Pilloff, H.; Rebane, A.; Sokolov, A. V.; Zubairy, M. S.

2002-01-01

Airborne contaminants, e.g., bacterial spores, are usually analyzed by time-consuming microscopic, chemical, and biological assays. Current research into real-time laser spectroscopic detectors of such contaminants is based on e.g., resonance fluorescence. The present approach derives from recent experiments in which atoms and molecules are prepared by one (or more) coherent laser(s) and probed by another set of lasers. However, generating and using maximally coherent oscillation in macromolecules having an enormous number of degrees of freedom is challenging. In particular, the short dephasing times and rapid internal conversion rates are major obstacles. However, adiabatic fast passage techniques and the ability to generate combs of phase-coherent femtosecond pulses provide tools for the generation and utilization of maximal quantum coherence in large molecules and biopolymers. We call this technique FAST CARS (femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman spectroscopy), and the present article proposes and analyses ways in which it could be used to rapidly identify preselected molecules in real time. PMID:12177405

FT-IR spectroscopic, thermal analysis of human urinary stones and their characterization

NASA Astrophysics Data System (ADS)

Selvaraju, R.; Raja, A.; Thiruppathi, G.

2015-02-01

In the present study, FT-IR, XRD, TGA-DTA spectral methods have been used to investigate the chemical compositions of urinary calculi. Multi-components of urinary calculi such as calcium oxalate, hydroxyl apatite, struvite and uric acid have been studied. The chemical compounds are identified by FT-IR spectroscopic technique. The mineral identification was confirmed by powder X-ray diffraction patterns as compared with JCPDS reported values. Thermal analysis techniques are considered the best techniques for the characterization and detection of endothermic and exothermic behaviors of the urinary stones. The percentages of each hydrate (COM and COD) are present together, in the presences of MAPH or UA. Finally, the present study suggests that the Urolithiasis is significant health problem in children, and is very common in some parts of the world, especially in India. So that present study is so useful and helpful to the scientific community for identification of latest human health problems and their remedies using spectroscopic techniques.

A novel pulse height analysis technique for nuclear spectroscopic and imaging systems

NASA Astrophysics Data System (ADS)

Tseng, H. H.; Wang, C. Y.; Chou, H. P.

2005-08-01

The proposed pulse height analysis technique is based on the constant and linear relationship between pulse width and pulse height generated from front-end electronics of nuclear spectroscopic and imaging systems. The present technique has successfully implemented into the sump water radiation monitoring system in a nuclear power plant. The radiation monitoring system uses a NaI(Tl) scintillator to detect radioactive nuclides of Radon daughters brought down by rain. The technique is also used for a nuclear medical imaging system. The system uses a position sensitive photomultiplier tube coupled with a scintillator. The proposed techniques has greatly simplified the electronic design and made the system a feasible one for potable applications.

Molecular dispersion spectroscopy – new capabilities in laser chemical sensing

PubMed Central

Nikodem, Michal; Wysocki, Gerard

2012-01-01

Laser spectroscopic techniques suitable for molecular dispersion sensing enable new applications and strategies in chemical detection. This paper discusses the current state-of-the art and provides an overview of recently developed chirped laser dispersion spectroscopy (CLaDS) based techniques. CLaDS and its derivatives allow for quantitative spectroscopy of trace-gases and enable new capabilities such as extended dynamic range of concentration measurements, high immunity to photodetected intensity fluctuations, or capability of direct processing of spectroscopic signals in optical domain. Several experimental configurations based on quantum cascade lasers and examples of molecular spectroscopic data are presented to demonstrate capabilities of molecular dispersion spectroscopy in the mid-infrared spectral region. PMID:22809459

Complementary and Integrative Therapies

MedlinePlus

... itself. Types of complementary and integrative therapies Natural products use herbs, vitamins, minerals or microorganisms (such as the bacteria found in yogurt). Examples include black cohosh and probiotics. Mind and body practices are techniques given or ...

Laser Spectroscopy for Atmospheric and Environmental Sensing

PubMed Central

Fiddler, Marc N.; Begashaw, Israel; Mickens, Matthew A.; Collingwood, Michael S.; Assefa, Zerihun; Bililign, Solomon

2009-01-01

Lasers and laser spectroscopic techniques have been extensively used in several applications since their advent, and the subject has been reviewed extensively in the last several decades. This review is focused on three areas of laser spectroscopic applications in atmospheric and environmental sensing; namely laser-induced fluorescence (LIF), cavity ring-down spectroscopy (CRDS), and photoluminescence (PL) techniques used in the detection of solids, liquids, aerosols, trace gases, and volatile organic compounds (VOCs). PMID:22303184

[Authentication of Trace Material Evidence in Forensic Science Field with Infrared Microscopic Technique].

PubMed

Jiang, Zhi-quan; Hu, Ke-liang

2016-03-01

In the field of forensic science, conventional infrared spectral analysis technique is usually unable to meet the detection requirements, because only very a few trace material evidence with diverse shapes and complex compositions, can be extracted from the crime scene. Infrared microscopic technique is developed based on a combination of Fourier-transform infrared spectroscopic technique and microscopic technique. Infrared microscopic technique has a lot of advantages over conventional infrared spectroscopic technique, such as high detection sensitivity, micro-area analysisand nondestructive examination. It has effectively solved the problem of authentication of trace material evidence in the field of forensic science. Additionally, almost no external interference is introduced during measurements by infrared microscopic technique. It can satisfy the special need that the trace material evidence must be reserved for witness in court. It is illustrated in detail through real case analysis in this experimental center that, infrared microscopic technique has advantages in authentication of trace material evidence in forensic science field. In this paper, the vibration features in infrared spectra of material evidences, including paints, plastics, rubbers, fibers, drugs and toxicants, can be comparatively analyzed by means of infrared microscopic technique, in an attempt to provide powerful spectroscopic evidence for qualitative diagnosis of various criminal and traffic accident cases. The experimental results clearly suggest that infrared microscopic technique has an incomparable advantage and it has become an effective method for authentication of trace material evidence in the field of forensic science.

Read-noise characterization of focal plane array detectors via mean-variance analysis.

PubMed

Sperline, R P; Knight, A K; Gresham, C A; Koppenaal, D W; Hieftje, G M; Denton, M B

2005-11-01

Mean-variance analysis is described as a method for characterization of the read-noise and gain of focal plane array (FPA) detectors, including charge-coupled devices (CCDs), charge-injection devices (CIDs), and complementary metal-oxide-semiconductor (CMOS) multiplexers (infrared arrays). Practical FPA detector characterization is outlined. The nondestructive readout capability available in some CIDs and FPA devices is discussed as a means for signal-to-noise ratio improvement. Derivations of the equations are fully presented to unify understanding of this method by the spectroscopic community.

Pharmaceutical Compounds Studied Using NEXAFS

NASA Astrophysics Data System (ADS)

Murray Booth, A.; Braun, Simon; Lonsbourough, Tom; Purton, John; Patel, Sunil; Schroeder, Sven L. M.

2007-02-01

Total Electron Yield (TEY) oxygen K-edge NEXAFS detects the presence of strongly adsorbed water molecules on poloxamer-coated pharmaceutical actives, which provides a useful spectroscopic indicator for bioavailability. The results are supported by complementary XPS measurements. Carbon K-edge spectra obtained in a high-pressure NEXAFS cell were used in situ to establish how a polymer coating spread on a drug surface by using humidity induced dispersion of the coating. Finally, we demonstrate how combined Carbon and Oxygen K-edge measurements can be used to characterize amorphous surface layers on micronised crystals of a drug compound.

Customizing model membranes and samples for NMR spectroscopic studies of complex membrane proteins.

PubMed

Sanders, C R; Oxenoid, K

2000-11-23

Both solution and solid state nuclear magnetic resonance (NMR) techniques for structural determination are advancing rapidly such that it is possible to contemplate bringing these techniques to bear upon integral membrane proteins having multiple transmembrane segments. This review outlines existing and emerging options for model membrane media for use in such studies and surveys the special considerations which must be taken into account when preparing larger membrane proteins for NMR spectroscopic studies.

High-pressure spectroscopic measurement on diffusion with a diamond-anvil cell

NASA Astrophysics Data System (ADS)

Aoki, K.; Katoh, Eriko; Yamawaki, H.; Fujihisa, H.; Sakashita, M.

2003-04-01

We report a diamond-anvil-cell (DAC) technique developed for spectroscopic measurement on the diffusion process in molecular solids at high pressure. The diffusion processes of atoms, molecules, or their ionic species are investigated for a bilayer specimen by measuring the variation of infrared vibrational spectra with time. The experimental procedures for the protonic and molecular diffusion measurements on ice at 400 K and 10.2 GPa are presented as an example study. The in situ spectroscopic technique with a DAC significantly extends the pressure range accessible for diffusion measurement. The diffusion process at a rate of 10-16-10-14 m2/s can currently be observed at temperatures of 300-600 K and pressures up to several tens of gigaPascals.

Setting the Record Straight: Bottom-Up Carbon Nanostructures via Solid-State Reactions

NASA Astrophysics Data System (ADS)

Jordan, Robert Stanley

Chapter 1 describes the development and spectroscopic investigation of a novel synthetic route to N = 8 armchair graphene nanoribbons from polydiacetylene polymers. Four distinct diphenyl polydiacetylene polymers are produced from the crystal-phase topochemical polymerization of their corresponding diphenyl-1,4-butadiynes. These polydiacetylene polymers are transformed into spectroscopically indistinguishable N = 8 armchair graphene nanoribbons via simple heating in the bulk, solid-state. The stepwise transformation of polydiacetylenes to graphene nanoribbons is examined in detail by the use of complementary spectroscopic methods, namely solid-state nuclear magnetic resonance, infrared, Raman and X-ray photoelectron spectroscopy. The final morphology and width of the nanoribbons is established through the use of high-resolution transmission electron microscopy. Chapter 2 chronicles the implementation of a similar approach to N = 12 armchair graphene nanoribbons from a dinaphthyl substituted polydiacetylene polymer. The mild nature of the process and pristine structure of the nanoribbons is again confirmed with the use of spectroscopic and microscopic methods. The chapter concludes with preliminary electrical measurements of the nanoribbons confirming that they are indeed conductive. Chapter 3 details the development of a synthetic route to diaryl trans-enediynes as structural models of individual reactive units within a polydiacetylene polymer. The trans-enediynes described are found to undergo three distinct annulation reactions depending on reaction conditions. Finally, the synthetic routes developed are utilized to access diethynyl [5]helicenes and phenanthrenes which fueled studies on the mechanism of the Bergman polymerization reaction.

Spectroscopic characterization of biological agents using FTIR, normal Raman and surface-enhanced Raman spectroscopies

NASA Astrophysics Data System (ADS)

Luna-Pineda, Tatiana; Soto-Feliciano, Kristina; De La Cruz-Montoya, Edwin; Pacheco Londoño, Leonardo C.; Ríos-Velázquez, Carlos; Hernández-Rivera, Samuel P.

2007-04-01

FTIR, Raman spectroscopy and Surface Enhanced Raman Scattering (SERS) requires a minimum of sample allows fast identification of microorganisms. The use of this technique for characterizing the spectroscopic signatures of these agents and their stimulants has recently gained considerable attention due to the fact that these techniques can be easily adapted for standoff detection from considerable distances. The techniques also show high sensitivity and selectivity and offer near real time detection duty cycles. This research focuses in laying the grounds for the spectroscopic differentiation of Staphylococcus spp., Pseudomonas spp., Bacillus spp., Salmonella spp., Enterobacter aerogenes, Proteus mirabilis, Klebsiella pneumoniae, and E. coli, together with identification of their subspecies. In order to achieve the proponed objective, protocols to handle, cultivate and analyze the strains have been developed. Spectroscopic similarities and marked differences have been found for Spontaneous or Normal Raman spectra and for SERS using silver nanoparticles have been found. The use of principal component analysis (PCA), discriminate factor analysis (DFA) and a cluster analysis were used to evaluate the efficacy of identifying potential threat bacterial from their spectra collected on single bacteria. The DFA from the bacteria Raman spectra show a little discrimination between the diverse bacterial species however the results obtained from the SERS demonstrate to be high discrimination technique. The spectroscopic study will be extended to examine the spores produced by selected strains since these are more prone to be used as Biological Warfare Agents due to their increased mobility and possibility of airborne transport. Micro infrared spectroscopy as well as fiber coupled FTIR will also be used as possible sensors of target compounds.

Resonant inelastic X-ray scattering on ferrous and ferric bis-imidazole porphyrin and cytochrome c: Nature and role of the axial methionine-Fe bond

DOE PAGES

Kroll, Thomas; Hadt, Ryan G.; Wilson, Samuel A.; ...

2014-12-04

Axial Cu–S(Met) bonds in electron transfer (ET) active sites are generally found to lower their reduction potentials. An axial S(Met) bond is also present in cytochrome c (cyt c) and is generally thought to increase the reduction potential. The highly covalent nature of the porphyrin environment in heme proteins precludes using many spectroscopic approaches to directly study the Fe site to experimentally quantify this bond. Alternatively, L-edge X-ray absorption spectroscopy (XAS) enables one to directly focus on the 3d-orbitals in a highly covalent environment and has previously been successfully applied to porphyrin model complexes. However, this technique cannot be extendedmore » to metalloproteins in solution. Here, we use metal K-edge XAS to obtain L-edge like data through 1s2p resonance inelastic X-ray scattering (RIXS). It has been applied here to a bis-imidazole porphyrin model complex and cyt c. The RIXS data on the model complex are directly correlated to L-edge XAS data to develop the complementary nature of these two spectroscopic methods. Comparison between the bis-imidazole model complex and cyt c in ferrous and ferric oxidation states show quantitative differences that reflect differences in axial ligand covalency. The data reveal an increased covalency for the S(Met) relative to N(His) axial ligand and a higher degree of covalency for the ferric states relative to the ferrous states. These results are reproduced by DFT calculations, which are used to evaluate the thermodynamics of the Fe–S(Met) bond and its dependence on redox state. Furthermore, these results provide insight into a number of previous chemical and physical results on cyt c.« less

The SAGES Legacy Unifying Globulars and Galaxies survey (SLUGGS): sample definition, methods, and initial results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodie, Jean P.; Romanowsky, Aaron J.; Jennings, Zachary G.

2014-11-20

We introduce and provide the scientific motivation for a wide-field photometric and spectroscopic chemodynamical survey of nearby early-type galaxies (ETGs) and their globular cluster (GC) systems. The SAGES Legacy Unifying Globulars and GalaxieS (SLUGGS) survey is being carried out primarily with Subaru/Suprime-Cam and Keck/DEIMOS. The former provides deep gri imaging over a 900 arcmin{sup 2} field-of-view to characterize GC and host galaxy colors and spatial distributions, and to identify spectroscopic targets. The NIR Ca II triplet provides GC line-of-sight velocities and metallicities out to typically ∼8 R {sub e}, and to ∼15 R {sub e} in some cases. New techniquesmore » to extract integrated stellar kinematics and metallicities to large radii (∼2-3 R {sub e}) are used in concert with GC data to create two-dimensional (2D) velocity and metallicity maps for comparison with simulations of galaxy formation. The advantages of SLUGGS compared with other, complementary, 2D-chemodynamical surveys are its superior velocity resolution, radial extent, and multiple halo tracers. We describe the sample of 25 nearby ETGs, the selection criteria for galaxies and GCs, the observing strategies, the data reduction techniques, and modeling methods. The survey observations are nearly complete and more than 30 papers have so far been published using SLUGGS data. Here we summarize some initial results, including signatures of two-phase galaxy assembly, evidence for GC metallicity bimodality, and a novel framework for the formation of extended star clusters and ultracompact dwarfs. An integrated overview of current chemodynamical constraints on GC systems points to separate, in situ formation modes at high redshifts for metal-poor and metal-rich GCs.« less

Probing the microscopic hydrophobicity of smectite surfaces. A vibrational spectroscopic study of dibenzo-p-dioxin sorption to smectite.

PubMed

Rana, Kiran; Boyd, Stephen A; Teppen, Brian J; Li, Hui; Liu, Cun; Johnston, Cliff T

2009-04-28

The interaction of dibenzo-p-dioxin (DD), from aqueous suspension, with smectite was investigated using in situ vibrational spectroscopy (FTIR and Raman), structural and batch sorption techniques. Batch sorption isotherms were integrated with in situ attenuated total reflectance (ATR)-FTIR and Raman spectroscopy and X-ray diffraction. Sorption isotherms revealed that the affinity of DD for smectite in aqueous suspension was strongly influenced both by the type of smectite and by the nature of the exchangeable cation. Cs-saponite showed a much higher affinity over Rb-, K- and Na-exchange saponites. In addition, DD sorption was found to depend on clay type with DD showing a high affinity for the tetrahedrally substituted trioctahedral saponite over SWy-2 and Upton montmorillonites. A structural model is introduced to account for the influence of clay type. Raman and FTIR data provided complementary molecular-level insight into the sorption mechanisms. In the case of Cs-saponite, the selection rules of DD based on D(2h) symmetry were broken indicating a site-specific interaction between DD and intercalated Cs(+) ions in the interlayer of the clay. Polarized in situ ATR-FTIR spectra revealed that the molecular plane of sorbed DD was tilted with respect to the clay surface which was consistent with a d-spacing of 1.49 nm. Finally, cation-induced changes in both the skeletal ring vibrations and the asymmetric C-O-C stretching vibrations provided evidence for site specific interactions between the DD and exchangeable cations in the clay interlayer. Together, the combined macroscopic and spectroscopic data show a surprising link between a hydrophilic material and a planar hydrophobic aromatic hydrocarbon.

Imaging of Al/Fe ratios in synthetic Al-goethite revealed by nanoscale secondary ion mass spectrometry.

PubMed

Pohl, Lydia; Kölbl, Angelika; Werner, Florian; Mueller, Carsten W; Höschen, Carmen; Häusler, Werner; Kögel-Knabner, Ingrid

2018-04-30

Aluminium (Al)-substituted goethite is ubiquitous in soils and sediments. The extent of Al-substitution affects the physicochemical properties of the mineral and influences its macroscale properties. Bulk analysis only provides total Al/Fe ratios without providing information with respect to the Al-substitution of single minerals. Here, we demonstrate that nanoscale secondary ion mass spectrometry (NanoSIMS) enables the precise determination of Al-content in single minerals, while simultaneously visualising the variation of the Al/Fe ratio. Al-substituted goethite samples were synthesized with increasing Al concentrations of 0.1, 3, and 7 % and analysed by NanoSIMS in combination with established bulk spectroscopic methods (XRD, FTIR, Mössbauer spectroscopy). The high spatial resolution (50-150 nm) of NanoSIMS is accompanied by a high number of single-point measurements. We statistically evaluated the Al/Fe ratios derived from NanoSIMS, while maintaining the spatial information and reassigning it to its original localization. XRD analyses confirmed increasing concentration of incorporated Al within the goethite structure. Mössbauer spectroscopy revealed 11 % of the goethite samples generated at high Al concentrations consisted of hematite. The NanoSIMS data show that the Al/Fe ratios are in agreement with bulk data derived from total digestion and demonstrated small spatial variability between single-point measurements. More advantageously, statistical analysis and reassignment of single-point measurements allowed us to identify distinct spots with significantly higher or lower Al/Fe ratios. NanoSIMS measurements confirmed the capacity to produce images, which indicated the uniform increase in Al-concentrations in goethite. Using a combination of statistical analysis with information from complementary spectroscopic techniques (XRD, FTIR and Mössbauer spectroscopy) we were further able to reveal spots with lower Al/Fe ratios as hematite. Copyright © 2018 John Wiley & Sons, Ltd.

Diagnostic Chemical Analysis of Exhaled Human Breath Using a Novel Sub-Millimeter Spectroscopic Approach

NASA Astrophysics Data System (ADS)

Fosnight, Alyssa M.; Moran, Benjamin L.; Branco, Daniela R.; Thomas, Jessica R.; Medvedev, Ivan R.

2013-06-01

As many as 3000 chemicals are reported to be found in exhaled human breath. Many of these chemicals are linked to certain health conditions and environmental exposures. Present state of the art techniques used for analysis of exhaled human breath include mass spectrometry based methods, infrared spectroscopic sensors, electro chemical sensors and semiconductor oxide based testers. Some of these techniques are commercially available but are somewhat limited in their specificity and exhibit fairly high probability of false alarm. Here, we present the results of our most recent study which demonstrated a novel application of a terahertz high resolutions spectroscopic technique to the analysis of exhaled human breath, focused on detection of ethanol in the exhaled breath of a person which consumed an alcoholic drink. This technique possesses nearly ``absolute'' specificity and we demonstrated its ability to uniquely identify ethanol, methanol, and acetone in human breath. This project is now complete and we are looking to extend this method of chemical analysis of exhaled human breath to a broader range of chemicals in an attempt to demonstrate its potential for biomedical diagnostic purposes.

Raman spectroscopic study of ancient South African domestic clay pottery

NASA Astrophysics Data System (ADS)

Legodi, M. A.; de Waal, D.

2007-01-01

The technique of Raman spectroscopy was used to examine the composition of ancient African domestic clay pottery of South African origin. One sample from each of four archaeological sites including Rooiwal, Lydenburg, Makahane and Graskop was studied. Normal dispersive Raman spectroscopy was found to be the most effective analytical technique in this study. XRF, XRD and FT-IR spectroscopy were used as complementary techniques. All representative samples contained common features, which were characterised by kaolin (Al 2Si 2O 5(OH) 5), illite (KAl 4(Si 7AlO 20)(OH) 4), feldspar (K- and NaAlSi 3O 8), quartz (α-SiO 2), hematite (α-Fe 2O 3), montmorillonite (Mg 3(Si,Al) 4(OH) 2·4.5H 2O[Mg] 0.35), and calcium silicate (CaSiO 3). Gypsum (CaSO 4·2H 2O) and calcium carbonates (most likely calcite, CaCO 3) were detected by Raman spectroscopy in Lydenburg, Makahane and Graskop shards. Amorphous carbon (with accompanying phosphates) was observed in the Raman spectra of Lydenburg, Rooiwal and Makahane shards, while rutile (TiO 2) appeared only in Makahane shard. The Raman spectra of Lydenburg and Rooiwal shards further showed the presence of anhydrite (CaSO 4). The results showed that South African potters used a mixture of clays as raw materials. The firing temperature for most samples did not exceed 800 °C, which suggests the use of open fire. The reddish brown and grayish black colours were likely due to hematite and amorphous carbon, respectively.

Application of a set of complementary techniques to understand how varying the proportion of two wastes affects humic acids produced by vermicomposting.

PubMed

Fernández-Gómez, Manuel J; Nogales, Rogelio; Plante, Alain; Plaza, César; Fernández, José M

2015-01-01

A better understanding of how varying the proportion of different organic wastes affects humic acid (HA) formation during vermicomposting would be useful in producing vermicomposts enriched in HAs. With the aim of improving the knowledge about this issue, a variety of analytical techniques [UV-visible spectroscopic, Fourier transform infrared, fluorescence spectra, solid-state cross-polarization magic-angle spinning (CPMAS) (13)C nuclear magnetic resonance (NMR) spectra, and thermal analysis] was used in the present study to characterize HAs isolated from two mixtures at two different ratios (2:1 and 1:1) of tomato-plant debris (TD) and paper-mill sludge (PS) before and after vermicomposting. The results suggest that vermicomposting increased the HA content in the TD/PS 2:1 and 1:1 mixtures (15.9% and 16.2%, respectively), but the vermicompost produced from the mixture with a higher amount of TD had a greater proportion (24%) of HAs. Both vermicomposting processes caused equal modifications in the humic precursors contained in the different mixtures of TD and PS, and consequently, the HAs in the vermicomposts produced from different waste mixtures exhibited analogous characteristics. Only the set of analytical techniques used in this research was able to detect differences between the HAs isolated from each type of vermicompost. In conclusion, varying the proportion of different wastes may have a stronger influence on the amount of HAs in vermicomposts than on the properties of HAs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Penetration kinetics of dimethyl sulphoxide and glycerol in dynamic optical clearing of porcine skin tissue in vitro studied by Fourier transform infrared spectroscopic imaging.

PubMed

Jiang, Jingying; Boese, Matthias; Turner, Paul; Wang, Ruikang K

2008-01-01

By use of a Fourier transform infrared (FTIR) spectroscopic imaging technique, we examine the dynamic optical clearing processes occurring in hyperosmotically biocompatible agents penetrating into skin tissue in vitro. The sequential collection of images in a time series provides an opportunity to assess penetration kinetics of dimethyl sulphoxide (DMSO) and glycerol beneath the surface of skin tissue over time. From 2-D IR spectroscopic images and 3-D false color diagrams, we show that glycerol takes at least 30 min to finally penetrate the layer of epidermis, while DMSO can be detected in epidermis after only 4 min of being topically applied over stratum corneum sides of porcine skin. The results demonstrate the potential of a FTIR spectroscopic imaging technique as an analytical tool for the study of dynamic optical clearing effects when the bio-tissue is impregnated by hyperosmotically biocompatible agents such as glycerol and DMSO.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Genest-Beaulieu, C.; Bergeron, P., E-mail: genest@astro.umontreal.ca, E-mail: bergeron@astro.umontreal.ca

We present a comparative analysis of atmospheric parameters obtained with the so-called photometric and spectroscopic techniques. Photometric and spectroscopic data for 1360 DA white dwarfs from the Sloan Digital Sky Survey (SDSS) are used, as well as spectroscopic data from the Villanova White Dwarf Catalog. We first test the calibration of the ugriz photometric system by using model atmosphere fits to observed data. Our photometric analysis indicates that the ugriz photometry appears well calibrated when the SDSS to AB{sub 95} zeropoint corrections are applied. The spectroscopic analysis of the same data set reveals that the so-called high-log g problem canmore » be solved by applying published correction functions that take into account three-dimensional hydrodynamical effects. However, a comparison between the SDSS and the White Dwarf Catalog spectra also suggests that the SDSS spectra still suffer from a small calibration problem. We then compare the atmospheric parameters obtained from both fitting techniques and show that the photometric temperatures are systematically lower than those obtained from spectroscopic data. This systematic offset may be linked to the hydrogen line profiles used in the model atmospheres. We finally present the results of an analysis aimed at measuring surface gravities using photometric data only.« less

Novel cholinesterase modulators and their ability to interact with DNA

NASA Astrophysics Data System (ADS)

Janockova, Jana; Gulasova, Zuzana; Musilek, Kamil; Kuca, Kamil; Kozurkova, Maria

2013-11-01

In the present work, an interaction of four cholinesterase modulators (1-4) with calf thymus DNA was studied via spectroscopic techniques (UV-Vis, fluorescent spectroscopy and circular dichroism). From UV-Vis spectroscopic analysis, the binding constants for DNA-pyridinium oximes complexes were calculated (K = 3.5 × 104 to 1.4 × 105 M-1). All these measurements indicated that the compounds behave as effective DNA-interacting agents. Electrophoretic techniques proved that ligand 2 inhibited topoisomerase I at a concentration 5 μM.

Extinction measurement of dense media by an optical coherence tomography technique

NASA Astrophysics Data System (ADS)

Ago, Tomoki; Iwai, Toshiaki; Yokota, Ryoko

2016-10-01

The optical coherence tomography will make progress as the next stage toward a spectroscopic analysis technique. The spectroscopic analysis is based on the Beer-Lambert law. The absorption and scattering coefficients even for the dense medium can be measured by the Beer-Lambert law because the OCT can detect only the light keeping the coherency which propagated rectilinearly and retro-reflected from scatters. This study is concerned with the quantitative verification of Beer-Lambert law in the OCT imaging.

The Complementary Therapies for Labour and Birth Study making sense of labour and birth - Experiences of women, partners and midwives of a complementary medicine antenatal education course.

PubMed

Levett, K M; Smith, C A; Bensoussan, A; Dahlen, H G

2016-09-01

to gain insight into the experiences of women, partners and midwives who participated in the Complementary Therapies for Labour and Birth Study, an evidence based complementary medicine (CM) antenatal education course. qualitative in-depth interviews and a focus group as part of the Complementary Therapies for Labour and Birth Study. thirteen low risk primiparous women and seven partners who had participated in the study group of a randomised controlled trial of the complementary therapies for labour and birth study, and 12 midwives caring for these women. The trial was conducted at two public hospitals, and through the Western Sydney University in Sydney, Australia. the Complementary Therapies for Labour and Birth (CTLB) protocol, based on the She Births® course and the Acupressure for labour and birth protocol, incorporated six evidence-based complementary medicine (CM) techniques; acupressure, relaxation, visualisation, breathing, massage, yoga techniques and incorporated facilitated partner support. Randomisation to the trial occurred at 24-36 weeks' gestation, and participants attended a two-day antenatal education programme, plus standard care, or standard care alone. the overarching theme identified in the qualitative data was making sense of labour and birth. Women used information about normal birth physiology from the course to make sense of labour, and to utilise the CM techniques to support normal birth and reduce interventions in labour. Women's, partners' and midwives' experience of the course and its use during birth gave rise to supporting themes such as: working for normal; having a toolkit; and finding what works. the Complementary Therapies for Labour and Birth Study provided women and their partners with knowledge to understand the physiology of normal labour and birth and enabled them to use evidence-based CM tools to support birth and reduce interventions. the Complementary Therapies for Labour and Birth Study introduces concepts of what constitutes normal birth and provides skills to support women, partners and midwives. It appears to be an effective form of antenatal education that supports normal birth, and maternity services need to consider how they can reform current antenatal education in line with this evidence. Crown Copyright © 2016. Published by Elsevier Ltd. All rights reserved.

Preliminary results of human PrPC protein studied by spectroscopic techniques

NASA Astrophysics Data System (ADS)

Nowakowski, Michał; Czapla-Masztafiak, Joanna; Kozak, Maciej; Zhukov, Igor; Zhukova, Lilia; Szlachetko, Jakub; Kwiatek, Wojciech M.

2017-11-01

Neurodegenerative diseases are one of the malfunctions of human nervous system, being a class of complex and prominent pathologies. The human prion Protease Resistant Protein (PrP) is protein regulating copper metabolism in mammalian cells through binding of Cu(II) ions to specific fragments. Nowadays misfolding of this protein is associated with development of prion diseases. Therefore, it is crucial to obtain structural information about coordination of Cu(II) by PrP protein. Herein, we report X-ray absorption spectroscopy (XAS) measurements, carried out on SuperXAS beamline (SLS, PSI Villigen) on PrPC-Cu(II) complexes. Obtained results were compared with theoretical predictions done by FEFF 9.6 software. Complementary to XAS data, Atomic Force Microscopy (AFM) measurements were conducted to obtain low resolution structural information about prepared sample that allow to develop protocol of fixing PrPC molecules on solid substrate used for further experiments. It has been established that folded C-terminal domain of PrPC protein has around 5 nm in diameter. Presented results showed that both XAS and AFM methods are useful tools in detailed examination of complexes of human PrPC either with Cu(II) or with other divalent metal ions.

Detection of changes in bone quality of osteoporotic model induced by sciatic nerve resection by using Raman spectroscopy

NASA Astrophysics Data System (ADS)

Ishimaru, Yasumitsu; Oshima, Yusuke; Imai, Yuuki; Iimura, Tadahiro; Takanezawa, Sota; Hino, Kazunori; Miura, Hiromasa

2018-02-01

To detect the bone quality loss in osteoporosis, we performed Raman spectroscopic analysis of sciatic nerve resection (NX) mice. Eight months after surgery, lower limbs were collected from the mice and fixed with 70% ethanol. Raman spectra of anterior cortical surface of the proximal tibia at 5 points in each bone were measured by RENISHAW inVia Raman Microscope. Excitation wave length was 785 nm. We also performed DXA and micro CT measurement to confirm the bone mineral density and bone microstructure in the osteoporotic model induced by sciatic nerve resection. In the result of Raman spectroscopy, we detected changes of Raman peak intensity ratio in carbonate/phosphate, mineral/combined proline and hydroxyproline and mineral/phenylalanine. In addition, in the result of micro CT, we found significant changes in VOX BV/TV, Trabecular number, thickness, cancellous bone mineral density, cortical thickness and cortical bone mineral density. The results suggest that not only the bone mineral density but also bone quality reduced in the NX mice. We conclude that Raman spectroscopy is a useful for bone quality assessment as a complementary technique for conventional diagnostics.

UV irradiation study of a tripeptide isolated in an argon matrix: A tautomerism process evidenced by infrared and X-ray photoemission spectroscopies

NASA Astrophysics Data System (ADS)

Mateo-Marti, E.; Pradier, C. M.

2013-05-01

Matrix isolation is a powerful tool for studying photochemical processes occurring in isolated molecules. In this way, we characterized the chemical modifications occurring within a tri peptide molecule, IGF, when exposed to the influence of Ultraviolet (UV) irradiation. This paper first describes the successful formation of the tripeptide (IGF) argon matrix under vacuum conditions, followed by the in situ UV irradiation and characterization of the molecular matrix reactivity after UV-irradiation. These studies have been performed by combining two complementary spectroscopic techniques, Fourier-Transform Reflexion Absorption Spectroscopy (FT-IRRAS) and X-ray Photoelectron Spectroscopy (XPS). The IR spectra of the isolated peptide-matrix, before and after UV irradiation, revealed significant differences that could be associated either to a partial deprotonation of the molecule or to a tautomeric conversion of some amide bonds to imide ones on some peptide molecules. XPS analyses undoubtedly confirmed the second hypothesis; the combination of IRRAS and XPS results provide evidence that UV irradiation of peptides induces a chemical reaction, namely a shift of the double bond, meaning partial conversion from amide tautomer into an imidic acid tautomer.

Visible light-sensitive APTES-bound ZnO nanowire toward a potent nanoinjector sensing biomolecules in a living cell

NASA Astrophysics Data System (ADS)

Lee, Jooran; Choi, Sunyoung; Bae, Seon Joo; Yoon, Seok Min; Choi, Joon Sig; Yoon, Minjoong

2013-10-01

Nanoscale cell injection techniques combined with nanoscopic photoluminescence (PL) spectroscopy have been important issues in high-resolution optical biosensing, gene and drug delivery and single-cell endoscopy for medical diagnostics and therapeutics. However, the current nanoinjectors remain limited for optical biosensing and communication at the subwavelength level, requiring an optical probe such as semiconductor quantum dots, separately. Here, we show that waveguided red emission is observed at the tip of a single visible light-sensitive APTES-modified ZnO nanowire (APTES-ZnO NW) and it exhibits great enhancement upon interaction with a complementary sequence-based double stranded (ds) DNA, whereas it is not significantly affected by non-complementary ds DNA. Further, the tip of a single APTES-ZnO NW can be inserted into the subcellular region of living HEK 293 cells without significant toxicity, and it can also detect the enhancement of the tip emission from subcellular regions with high spatial resolution. These results indicate that the single APTES-ZnO NW would be useful as a potent nanoinjector which can guide visible light into intracellular compartments of mammalian cells, and can also detect nanoscopic optical signal changes induced by interaction with the subcellular specific target biomolecules without separate optical probes.Nanoscale cell injection techniques combined with nanoscopic photoluminescence (PL) spectroscopy have been important issues in high-resolution optical biosensing, gene and drug delivery and single-cell endoscopy for medical diagnostics and therapeutics. However, the current nanoinjectors remain limited for optical biosensing and communication at the subwavelength level, requiring an optical probe such as semiconductor quantum dots, separately. Here, we show that waveguided red emission is observed at the tip of a single visible light-sensitive APTES-modified ZnO nanowire (APTES-ZnO NW) and it exhibits great enhancement upon interaction with a complementary sequence-based double stranded (ds) DNA, whereas it is not significantly affected by non-complementary ds DNA. Further, the tip of a single APTES-ZnO NW can be inserted into the subcellular region of living HEK 293 cells without significant toxicity, and it can also detect the enhancement of the tip emission from subcellular regions with high spatial resolution. These results indicate that the single APTES-ZnO NW would be useful as a potent nanoinjector which can guide visible light into intracellular compartments of mammalian cells, and can also detect nanoscopic optical signal changes induced by interaction with the subcellular specific target biomolecules without separate optical probes. Electronic supplementary information (ESI) available: Synthesis of APTES-modified ZnO nanowires, DNA functionalization and spectroscopic measurements with additional fluorescence image ad fluorescence decay times, cell culture, injection of a single nanowire into living cells, subcellular imaging and determination of cytotoxicity. See DOI: 10.1039/c3nr03042c

Spectroscopic identification of rare earth elements in phosphate glass

NASA Astrophysics Data System (ADS)

Devangad, Praveen; Tamboli, Maktum; Muhammed Shameem, K. M.; Nayak, Rajesh; Patil, Ajeetkumar; Unnikrishnan, V. K.; Santhosh, C.; Kumar, G. A.

2018-01-01

In this work, rare earth-doped phosphate glasses were synthesized and characterized using three different spectroscopic techniques. The absorption spectra of the prepared praseodymium (Pr) and samarium (Sm) doped glasses, recorded by a UV-VIS-NIR spectrophotometer, show the characteristic absorption bands of these elements. To confirm this inference, laser-induced fluorescence spectra of Pr and Sm were obtained at a laser excitation of 442 nm. Their emission bands are reported here. The elemental analysis of these samples was carried out using a laser-induced breakdown spectroscopy (LIBS) system. Characteristic emission lines of Pr and Sm have been identified and reported by the recorded LIBS spectra of glass samples. Results prove that using these three complimentary spectroscopic techniques (absorption, fluorescence and LIBS), we can meaningfully characterize rare earth-doped glass samples.

Infrared spectroscopic imaging: Label-free biochemical analysis of stroma and tissue fibrosis.

PubMed

Nazeer, Shaiju S; Sreedhar, Hari; Varma, Vishal K; Martinez-Marin, David; Massie, Christine; Walsh, Michael J

2017-11-01

Infrared spectroscopic tissue imaging is a potentially powerful adjunct tool to current histopathology techniques. By coupling the biochemical signature obtained through infrared spectroscopy to the spatial information offered by microscopy, this technique can selectively analyze the chemical composition of different features of unlabeled, unstained tissue sections. In the past, the tissue features that have received the most interest were parenchymal and epithelial cells, chiefly due to their involvement in dysplasia and progression to carcinoma; however, the field has recently turned its focus toward stroma and areas of fibrotic change. These components of tissue present an untapped source of biochemical information that can shed light on many diverse disease processes, and potentially hold useful predictive markers for these same pathologies. Here we review the recent applications of infrared spectroscopic imaging to stromal and fibrotic regions of diseased tissue, and explore the potential of this technique to advance current capabilities for tissue analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Herschel spectroscopic observations of PPNe and PNe

NASA Astrophysics Data System (ADS)

García-Lario, Pedro; Ramos-Medina, J.; Sánchez-Contreras, C.

2017-10-01

We are building a catalogue of interactively reprocessed observations of evolved stars observed with Herschel. The catalogue will offer not only the PACS and SPIRE spectroscopic data for each observation, but also complementary information from other infrared space observatories. As a first step, we are concentrating our efforts on two main activities: 1) the interactive data-reduction of more than 500 individual spectra obtained with PACS in the 55-210 μm range, available in the Herschel Science Archive; 2) the creation of a catalogue, accesible via a web-based interface and through the Virtual Observatory. Our ultimate goal is to carry out a comprehensive and systematic study of the far infrared properties of low-and intermediate-mass evolved stars using these data and enable science based on Herschel archival data. The objects cover the whole range of possible evolutionary stages in this short-lived phase of stellar evolution, from the AGB to the PN stage, displaying a wide variety of chemical and physical properties.

Role of endorectal magnetic resonance spectroscopic imaging in two different Gleason scores in prostate cancer.

PubMed

Nagarajan, Rajakumar; Margolis, Daniel; McClure, Tim; Raman, Steve; Thomas, M Albert

2011-01-01

The major goal of the work was to record three-dimensional magnetic resonance spectroscopic imaging (MRSI) and to compare metabolite ratios between different Gleason scores (GS). MRSI localized by endorectal coil-acquired point-resolved spectroscopy was performed in 14 men with prostate cancer of GS 6 (n = 7) and 7 (n = 7) using a 1.5-tesla MRI scanner. The ratio of (choline + creatine)/citrate was increased with an increase of GS, i.e. 0.590 ± 0.171 in the target lesion and 0.321 ± 0.157 in the contralateral region of patients with a GS of 6 as opposed to 1.082 ± 0.432 in the target lesion and 0.360 ± 0.243 in the contralateral region of patients with a GS of 7. Our pilot results demonstrated that MRSI was an additional biochemical tool which is complementary to the current imaging modalities for early diagnosis and therapeutic management of prostate cancer. Copyright © 2011 S. Karger AG, Basel.

Concentric Rings K-Space Trajectory for Hyperpolarized 13C MR Spectroscopic Imaging

PubMed Central

Jiang, Wenwen; Lustig, Michael; Larson, Peder E.Z.

2014-01-01

Purpose To develop a robust and rapid imaging technique for hyperpolarized 13C MR Spectroscopic Imaging (MRSI) and investigate its performance. Methods A concentric rings readout trajectory with constant angular velocity is proposed for hyperpolarized 13C spectroscopic imaging and its properties are analyzed. Quantitative analyses of design tradeoffs are presented for several imaging scenarios. The first application of concentric rings on 13C phantoms and in vivo animal hyperpolarized 13C MRSI studies were performed to demonstrate the feasibility of the proposed method. Finally, a parallel imaging accelerated concentric rings study is presented. Results The concentric rings MRSI trajectory has the advantages of acquisition timesaving compared to echo-planar spectroscopic imaging (EPSI). It provides sufficient spectral bandwidth with relatively high SNR efficiency compared to EPSI and spiral techniques. Phantom and in vivo animal studies showed good image quality with half the scan time and reduced pulsatile flow artifacts compared to EPSI. Parallel imaging accelerated concentric rings showed advantages over Cartesian sampling in g-factor simulations and demonstrated aliasing-free image quality in a hyperpolarized 13C in vivo study. Conclusion The concentric rings trajectory is a robust and rapid imaging technique that fits very well with the speed, bandwidth, and resolution requirements of hyperpolarized 13C MRSI. PMID:25533653

Fourier transform infrared and Raman spectroscopic characterization of homogeneous solution concentration gradients near a container wall at different temperatures

NASA Technical Reports Server (NTRS)

Loo, B. H.; Burns, D. H.; Lee, Y. G. L.; Emerson, M. T.

1991-01-01

Fourier transform infrared (FTIR) and Raman spectroscopic techniques were used to study the solution concentration gradient in succino nitrile-rich and water-rich homogeneous solutions. The spectroscopic data shows significant concentration dependency. Although FTIR-attenuated total reflectance could not yield surface spectra since the evanescent infrared wave penetrated deep into the bulk solution, it showed that water-rich clusters were decreased at higher temperatures. This result is consistent with the calorimetric results reported earlier.

Perfluorocarbon Enhanced Glasgow Oxygen Level Dependent (GOLD) Magnetic Resonance Metabolic Imaging Identifies the Penumbra Following Acute Ischemic Stroke

PubMed Central

Deuchar, Graeme A; Brennan, David; Holmes, William M; Shaw, Martin; Macrae, I Mhairi; Santosh, Celestine

2018-01-01

The ability to identify metabolically active and potentially salvageable ischaemic penumbra is crucial for improving treatment decisions in acute stroke patients. Our solution involves two complementary novel MRI techniques (Glasgow Oxygen Level Dependant (GOLD) Metabolic Imaging), which when combined with a perfluorocarbon (PFC) based oxygen carrier and hyperoxia can identify penumbra due to dynamic changes related to continued metabolism within this tissue compartment. Our aims were (i) to investigate whether PFC offers similar enhancement of the second technique (Lactate Change) as previously demonstrated for the T2*OC technique (ii) to demonstrate both GOLD metabolic imaging techniques working concurrently to identify penumbra, following administration of Oxycyte® (O-PFC) with hyperoxia. Methods: An established rat stroke model was utilised. Part-1: Following either saline or PFC, magnetic resonance spectroscopy was applied to investigate the effect of hyperoxia on lactate change in presumed penumbra. Part-2; rats received O-PFC prior to T2*OC (technique 1) and MR spectroscopic imaging, which was used to identify regions of tissue lactate change (technique 2) in response to hyperoxia. In order to validate the techniques, imaging was followed by [14C]2-deoxyglucose autoradiography to correlate tissue metabolic status to areas identified as penumbra. Results: Part-1: PFC+hyperoxia resulted in an enhanced reduction of lactate in the penumbra when compared to saline+hyperoxia. Part-2: Regions of brain tissue identified as potential penumbra by both GOLD metabolic imaging techniques utilising O-PFC, demonstrated maintained glucose metabolism as compared to adjacent core tissue. Conclusion: For the first time in vivo, enhancement of both GOLD metabolic imaging techniques has been demonstrated following intravenous O-PFC+hyperoxia to identify ischaemic penumbra. We have also presented preliminary evidence of the potential therapeutic benefit offered by O-PFC. These unique theranostic applications would enable treatment based on metabolic status of the brain tissue, independent of time from stroke onset, leading to increased uptake and safer use of currently available treatment options. PMID:29556351

Structural and spectroscopic changes to natural nontronite induced by experimental impacts between 10 and 40 GPa

NASA Astrophysics Data System (ADS)

Friedlander, Lonia R.; Glotch, Timothy D.; Bish, David L.; Dyar, M. Darby; Sharp, Thomas G.; Sklute, Elizabeth C.; Michalski, Joseph R.

2015-05-01

Many phyllosilicate deposits remotely detected on Mars occur within bombarded terrains. Shock metamorphism from meteor impacts alters mineral structures, producing changed mineral spectra. Thus, impacts have likely affected the spectra of remotely sensed Martian phyllosilicates. We present spectral analysis results for a natural nontronite sample before and after laboratory-generated impacts over five peak pressures between 10 and 40 GPa. We conducted a suite of spectroscopic analyses to characterize the sample's impact-induced structural and spectral changes. Nontronite becomes increasingly disordered with increasing peak impact pressure. Every infrared spectroscopic technique used showed evidence of structural changes at shock pressures above ~25 GPa. Reflectance spectroscopy in the visible near-infrared region is primarily sensitive to the vibrations of metal-OH and interlayer H2O groups in the nontronite octahedral sheet. Midinfrared (MIR) spectroscopic techniques are sensitive to the vibrations of silicon and oxygen in the nontronite tetrahedral sheet. Because the tetrahedral and octahedral sheets of nontronite deform differently, impact-driven structural deformation may contribute to differences in phyllosilicate detection between remote sensing techniques sensitive to different parts of the nontronite structure. Observed spectroscopic changes also indicated that the sample's octahedral and tetrahedral sheets were structurally deformed but not completely dehydroxylated. This finding is an important distinction from previous studies of thermally altered phyllosilicates in which dehydroxylation follows dehydration in a stepwise progression preceding structural deformation. Impact alteration may thus complicate mineral-specific identifications based on the location of OH-group bands in remotely detected spectra. This is a key implication for Martian remote sensing arising from our results.

The role of simulation chambers in the development of spectroscopic techniques: campaigns at EUPHORE

NASA Astrophysics Data System (ADS)

Ródenas, Milagros; Muñoz, Amalia; Euphore Team

2016-04-01

Simulation chambers represent a very useful tool for the study of chemical reactions and their products, but also to characterize instruments. The development of spectroscopic techniques throughout the last decades has benefited from tests and intercomparison exercises carried out in chambers. In fact, instruments can be exposed to various controlled atmospheric scenarios that account for different environmental conditions, eliminating the uncertainties associated to fluctuations of the air mass, which must be taken into account when extrapolating results to the real conditions. Hence, a given instrument can be characterized by assessing its precision, accuracy, detection limits, time response and potential interferences in the presence of other chemical compounds, aerosols, etc. This implies that the instrument can be calibrated and validated, which allows to enhance the features of the instrument. Moreover, chambers are also the scenario of intercomparison trials, permitting multiple instruments to sample from the same well-mixed air mass simultaneously. An overview of different campaigns to characterize and/or intercompare spectroscopic techniques that have taken place in simulation chambers will be given; in particular, those carried out at EUPHORE (two twin domes, 200 m3 each, Spain), where various intercomparison exercises have been deployed under the frame of European projects (e.g. TOXIC, FIONA, PSOA campaigns supported by EUROCHAMP-II). With the common aim of measuring given compounds (e.g. HONO, NO2, OH, glyoxal, m-glyoxal, etc), an important number of spectroscopic instruments and institutions have been involved in chamber experiments, having the chance to intercompare among them and also with other non-spectroscopic systems (e.g. monitors, cromatographs, etc) or model simulations.

On the Use of Line Depth Ratios to Measure Starspot Properties on Magnetically Active Stars

NASA Astrophysics Data System (ADS)

O'Neal, Douglas

2006-07-01

Photometric and spectroscopic techniques have proven to be effective ways to measure the properties of dark, cool starspots on magnetically active stars. Recently, a technique was introduced using atomic line depth ratios (LDRs) to measure starspot properties. Carefully reproducing this technique using a new set of spectroscopic observations of active stars, we find that the LDR technique encounters difficulties, specifically by overestimating spot temperatures (because the atomic lines blend with titanium oxide absorption in cooler spots) and by not tightly constraining the filling factor of spots. While the use of LDRs for active star studies has great promise, we believe that these concerns need to be addressed before the technique is more widely applied. This paper includes data taken at McDonald Observatory of the University of Texas at Austin.

FT-Raman and NIR spectroscopy data fusion strategy for multivariate qualitative analysis of food fraud.

PubMed

Márquez, Cristina; López, M Isabel; Ruisánchez, Itziar; Callao, M Pilar

2016-12-01

Two data fusion strategies (high- and mid-level) combined with a multivariate classification approach (Soft Independent Modelling of Class Analogy, SIMCA) have been applied to take advantage of the synergistic effect of the information obtained from two spectroscopic techniques: FT-Raman and NIR. Mid-level data fusion consists of merging some of the previous selected variables from the spectra obtained from each spectroscopic technique and then applying the classification technique. High-level data fusion combines the SIMCA classification results obtained individually from each spectroscopic technique. Of the possible ways to make the necessary combinations, we decided to use fuzzy aggregation connective operators. As a case study, we considered the possible adulteration of hazelnut paste with almond. Using the two-class SIMCA approach, class 1 consisted of unadulterated hazelnut samples and class 2 of samples adulterated with almond. Models performance was also studied with samples adulterated with chickpea. The results show that data fusion is an effective strategy since the performance parameters are better than the individual ones: sensitivity and specificity values between 75% and 100% for the individual techniques and between 96-100% and 88-100% for the mid- and high-level data fusion strategies, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Comparison of spectroscopically measured finger and forearm tissue ethanol concentration to blood and breath ethanol measurements

NASA Astrophysics Data System (ADS)

Ridder, Trent D.; Hull, Edward L.; Ver Steeg, Benjamin J.; Laaksonen, Bentley D.

2011-02-01

Previous works investigated a spectroscopic technique that offered a promising alternative to blood and breath assays for determining in vivo alcohol concentration. Although these prior works measured the dorsal forearm, we report the results of a 26-subject clinical study designed to evaluate the spectroscopic technique at a finger measurement site through comparison to contemporaneous forearm spectroscopic, venous blood, and breath measurements. Through both Monte Carlo simulation and experimental data, it is shown that tissue optical probe design has a substantial impact on the effective path-length of photons through the skin and the signal-to-noise ratio of the spectroscopic measurements. Comparison of the breath, blood, and tissue assays demonstrated significant differences in alcohol concentration that are attributable to both assay accuracy and alcohol pharmacokinetics. Similar to past works, a first order kinetic model is used to estimate the fraction of concentration variance explained by alcohol pharmacokinetics (72.6-86.7%). A significant outcome of this work was significantly improved pharmacokinetic agreement with breath (arterial) alcohol of the finger measurement (mean kArt-Fin = 0.111 min-1) relative to the forearm measurement (mean kArt-For = 0.019 min-1) that is likely due to the increased blood perfusion of the finger.

Single-pulse measurement of density and temperature in a turbulent, supersonic flow using UV laser spectroscopy

NASA Technical Reports Server (NTRS)

Fletcher, D. G.; Mckenzie, R. L.

1992-01-01

Nonintrusive measurements of density and temperature and their turbulent fluctuation levels have been obtained in the boundary layer of an unseeded, Mach 2 wind tunnel flow. The spectroscopic technique that was used to make the measurements is based on the combination of laser-induced oxygen fluorescence and Raman scattering by oxygen and nitrogen from the same laser pulse. Results from this demonstration experiment compare favorably with previous measurements obtained in the same facility from conventional probes and an earlier spectroscopic technique.

No microplastics in benthic eelpout (Zoarces viviparus): An urgent need for spectroscopic analyses in microplastic detection.

PubMed

Wesch, Charlotte; Barthel, Anne-Kathrin; Braun, Ulrike; Klein, Roland; Paulus, Martin

2016-07-01

Monitoring the ingestion of microplastics is challenging and suitable detection techniques are insufficiently used. Thus, misidentifying natural for synthetic microfibres cannot be avoided. As part of a framework to monitor the ingestion of microplastics in eelpout, this short report addresses the accurate identification of microfibres. We show that, following visual inspections, putatively synthetic microfibres are indeed of natural origin, as ascertained by spectrometric analyses. Consequently, we call for an inclusion of spectroscopic techniques in standardized microplastic monitoring schemes. Copyright © 2016 Elsevier Inc. All rights reserved.

Complementary spectroscopic studies of materials of security interest

NASA Astrophysics Data System (ADS)

Burnett, Andrew; Fan, Wenhui; Upadhya, Prashanth; Cunningham, John; Edwards, Howell; Munshi, Tasnim; Hargreaves, Michael; Linfield, Edmund; Davies, Giles

2006-09-01

We demonstrate that, through coherent measurement of the transmitted terahertz frequency electric fields, broadband (0.3 - 8 THz) time-domain spectroscopy can be used to measure far-infrared vibrational modes of a range of drugs-of-abuse and high explosives that are of interest to the forensic and security services. Our results indicate that absorption features in these materials are highly sensitive to the structural and spatial arrangement of the molecules. Terahertz frequency spectra are also compared with high-resolution low-frequency Raman spectra to assist in understanding the low-frequency inter- and intra-molecular vibrational modes of the molecules.

Spectroscopic Investigations of Fragment Species in the Coma

NASA Technical Reports Server (NTRS)

Feldman, Paul D.; Cochran, Anita L.; Combi, Michael R.

2004-01-01

The content of the gaseous coma of a comet is dominated by fragment species produced by photolysis of the parent molecules issuing directly from the icy nucleus of the comet. Spectroscopy of these species provides complementary information on the physical state of the coma to that obtained from observations of the parent species. Extraction of physical parameters requires detailed molecular and atomic data together with reliable high-resolution spectra and absolute fluxes of the primary source of excitation, the Sun. The large database of observations, dating back more than a century, provides a means to assess the chemical and evolutionary diversity of comets.

Multivariate curve resolution applied to kinetic-spectroscopic data matrices: Dye determination in foods by means of enzymatic oxidation.

PubMed

Boeris, Valeria; Arancibia, Juan A; Olivieri, Alejandro C

2017-07-01

In this work, the combination of chemometric techniques with kinetic-spectroscopic data allowed quantifying two dyes (tartrazine and carminic acid) in complex matrices as mustard, ketchup, asparagus soup powder, pumpkin soup powder, plum jam and orange-strawberry juice. Quantitative analysis was performed without the use of tedious sample pretreatment, due to the achievement of the second-order advantage. The results obtained showed an improvement in simplicity, speed and cost with respect to usual separation techniques, allowing to properly quantifying these dyes obtaining limits of detection below 0.6mgL -1 . In addition, to the best of our knowledge, is the first time that kinetic-spectroscopic data are obtained from the action of laccase for analytical purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

Investigation of electronically excited indole relaxation dynamics via photoionization and fragmentation pump-probe spectroscopy.

PubMed

Godfrey, T J; Yu, Hui; Ullrich, Susanne

2014-07-28

The studies herein investigate the involvement of the low-lying (1)La and (1)Lb states with (1)ππ(*) character and the (1)πσ(*) state in the deactivation process of indole following photoexcitation at 201 nm. Three gas-phase, pump-probe spectroscopic techniques are employed: (1) Time-resolved photoelectron spectroscopy (TR-PES), (2) hydrogen atom (H-atom) time-resolved kinetic energy release (TR-KER), and (3) time-resolved ion yield (TR-IY). Each technique provides complementary information specific to the photophysical processes in the indole molecule. In conjunction, a thorough examination of the electronically excited states in the relaxation process, with particular focus on the involvement of the (1)πσ(*) state, is afforded. Through an extensive analysis of the TR-PES data presented here, it is deduced that the initial excitation of the (1)Bb state decays to the (1)La state on a timescale beyond the resolution of the current experimental setup. Relaxation proceeds on the (1)La state with an ultrafast decay constant (<100 femtoseconds (fs)) to the lower-lying (1)Lb state, which is found to possess a relatively long lifetime of 23 ± 5 picoseconds (ps) before regressing to the ground state. These studies also manifest an additional component with a relaxation time of 405 ± 76 fs, which is correlated with activity along the (1)πσ(*) state. TR-KER and TR-IY experiments, both specifically probing (1)πσ(*) dynamics, exhibit similar decay constants, further validating these observations.

Error analysis applied to several inversion techniques used for the retrieval of middle atmospheric constituents from limb-scanning MM-wave spectroscopic measurements

NASA Technical Reports Server (NTRS)

Puliafito, E.; Bevilacqua, R.; Olivero, J.; Degenhardt, W.

1992-01-01

The formal retrieval error analysis of Rodgers (1990) allows the quantitative determination of such retrieval properties as measurement error sensitivity, resolution, and inversion bias. This technique was applied to five numerical inversion techniques and two nonlinear iterative techniques used for the retrieval of middle atmospheric constituent concentrations from limb-scanning millimeter-wave spectroscopic measurements. It is found that the iterative methods have better vertical resolution, but are slightly more sensitive to measurement error than constrained matrix methods. The iterative methods converge to the exact solution, whereas two of the matrix methods under consideration have an explicit constraint, the sensitivity of the solution to the a priori profile. Tradeoffs of these retrieval characteristics are presented.

Application of a set of complementary techniques to understand how varying the proportion of two wastes affects humic acids produced by vermicomposting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernández-Gómez, Manuel J., E-mail: manuelj.fernandez@eez.csic.es; Nogales, Rogelio; Plante, Alain

2015-01-15

Highlights: • A set of techniques was used to characterize humic acids content of vermicomposts. • The properties of the humic acids produced from different waste mixtures were similar. • This set of techniques allowed distinguishing the humic acids of each vermicomposts. • Increasing humic acid contents in initial mixtures would produce richer vermicomposts. - Abstract: A better understanding of how varying the proportion of different organic wastes affects humic acid (HA) formation during vermicomposting would be useful in producing vermicomposts enriched in HAs. With the aim of improving the knowledge about this issue, a variety of analytical techniques [UV–visiblemore » spectroscopic, Fourier transform infrared, fluorescence spectra, solid-state cross-polarization magic-angle spinning (CPMAS) {sup 13}C nuclear magnetic resonance (NMR) spectra, and thermal analysis] was used in the present study to characterize HAs isolated from two mixtures at two different ratios (2:1 and 1:1) of tomato-plant debris (TD) and paper-mill sludge (PS) before and after vermicomposting. The results suggest that vermicomposting increased the HA content in the TD/PS 2:1 and 1:1 mixtures (15.9% and 16.2%, respectively), but the vermicompost produced from the mixture with a higher amount of TD had a greater proportion (24%) of HAs. Both vermicomposting processes caused equal modifications in the humic precursors contained in the different mixtures of TD and PS, and consequently, the HAs in the vermicomposts produced from different waste mixtures exhibited analogous characteristics. Only the set of analytical techniques used in this research was able to detect differences between the HAs isolated from each type of vermicompost. In conclusion, varying the proportion of different wastes may have a stronger influence on the amount of HAs in vermicomposts than on the properties of HAs.« less

Application of a new non-linear least squares velocity curve analysis technique for spectroscopic binary stars

NASA Astrophysics Data System (ADS)

Karami, K.; Mohebi, R.; Soltanzadeh, M. M.

2008-11-01

Using measured radial velocity data of nine double lined spectroscopic binary systems NSV 223, AB And, V2082 Cyg, HS Her, V918 Her, BV Dra, BW Dra, V2357 Oph, and YZ Cas, we find corresponding orbital and spectroscopic elements via the method introduced by Karami and Mohebi (Chin. J. Astron. Astrophys. 7:558, 2007a) and Karami and Teimoorinia (Astrophys. Space Sci. 311:435, 2007). Our numerical results are in good agreement with those obtained by others using more traditional methods.

Infrared spectroscopic imaging for noninvasive detection of latent fingerprints.

PubMed

Crane, Nicole J; Bartick, Edward G; Perlman, Rebecca Schwartz; Huffman, Scott

2007-01-01

The capability of Fourier transform infrared (FTIR) spectroscopic imaging to provide detailed images of unprocessed latent fingerprints while also preserving important trace evidence is demonstrated. Unprocessed fingerprints were developed on various porous and nonporous substrates. Data-processing methods used to extract the latent fingerprint ridge pattern from the background material included basic infrared spectroscopic band intensities, addition and subtraction of band intensity measurements, principal components analysis (PCA) and calculation of second derivative band intensities, as well as combinations of these various techniques. Additionally, trace evidence within the fingerprints was recovered and identified.

An original method to determine complex refractive index of liquids by spectroscopic ellipsometry and illustrated applications

NASA Astrophysics Data System (ADS)

Stchakovsky, M.; Battie, Y.; Naciri, A. En

2017-11-01

We present a method to characterize optical properties of liquids by spectroscopic ellipsometry. The experiments use a specific liquid cell that avoids disturbance of waves at air-liquid interface and allows the determination of the real and the imaginary part of the refractive index, with a sensitivity of the latter below 10-4. The method is illustrated by results obtained with a spectroscopic phase modulation ellipsometer on several liquids such as deionised water, microscope oil and protein solution. Comparisons of the method with standard techniques are given.

Reconfigurable Complementary Logic Circuits with Ambipolar Organic Transistors

PubMed Central

Yoo, Hocheon; Ghittorelli, Matteo; Smits, Edsger C. P.; Gelinck, Gerwin H.; Lee, Han-Koo; Torricelli, Fabrizio; Kim, Jae-Joon

2016-01-01

Ambipolar organic electronics offer great potential for simple and low-cost fabrication of complementary logic circuits on large-area and mechanically flexible substrates. Ambipolar transistors are ideal candidates for the simple and low-cost development of complementary logic circuits since they can operate as n-type and p-type transistors. Nevertheless, the experimental demonstration of ambipolar organic complementary circuits is limited to inverters. The control of the transistor polarity is crucial for proper circuit operation. Novel gating techniques enable to control the transistor polarity but result in dramatically reduced performances. Here we show high-performance non-planar ambipolar organic transistors with electrical control of the polarity and orders of magnitude higher performances with respect to state-of-art split-gate ambipolar transistors. Electrically reconfigurable complementary logic gates based on ambipolar organic transistors are experimentally demonstrated, thus opening up new opportunities for ambipolar organic complementary electronics. PMID:27762321

Reconfigurable Complementary Logic Circuits with Ambipolar Organic Transistors.

PubMed

Yoo, Hocheon; Ghittorelli, Matteo; Smits, Edsger C P; Gelinck, Gerwin H; Lee, Han-Koo; Torricelli, Fabrizio; Kim, Jae-Joon

2016-10-20

Ambipolar organic electronics offer great potential for simple and low-cost fabrication of complementary logic circuits on large-area and mechanically flexible substrates. Ambipolar transistors are ideal candidates for the simple and low-cost development of complementary logic circuits since they can operate as n-type and p-type transistors. Nevertheless, the experimental demonstration of ambipolar organic complementary circuits is limited to inverters. The control of the transistor polarity is crucial for proper circuit operation. Novel gating techniques enable to control the transistor polarity but result in dramatically reduced performances. Here we show high-performance non-planar ambipolar organic transistors with electrical control of the polarity and orders of magnitude higher performances with respect to state-of-art split-gate ambipolar transistors. Electrically reconfigurable complementary logic gates based on ambipolar organic transistors are experimentally demonstrated, thus opening up new opportunities for ambipolar organic complementary electronics.

Differential laser-induced perturbation spectroscopy and fluorescence imaging for biological and materials sensing

NASA Astrophysics Data System (ADS)

Burton, Dallas Jonathan

The field of laser-based diagnostics has been a topic of research in various fields, more specifically for applications in environmental studies, military defense technologies, and medicine, among many others. In this dissertation, a novel laser-based optical diagnostic method, differential laser-induced perturbation spectroscopy (DLIPS), has been implemented in a spectroscopy mode and expanded into an imaging mode in combination with fluorescence techniques. The DLIPS method takes advantage of deep ultraviolet (UV) laser perturbation at sub-ablative energy fluences to photochemically cleave bonds and alter fluorescence signal response before and after perturbation. The resulting difference spectrum or differential image adds more information about the target specimen, and can be used in combination with traditional fluorescence techniques for detection of certain materials, characterization of many materials and biological specimen, and diagnosis of various human skin conditions. The differential aspect allows for mitigation of patient or sample variation, and has the potential to develop into a powerful, noninvasive optical sensing tool. The studies in this dissertation encompass efforts to continue the fundamental research on DLIPS including expansion of the method to an imaging mode. Five primary studies have been carried out and presented. These include the use of DLIPS in a spectroscopy mode for analysis of nitrogen-based explosives on various substrates, classification of Caribbean fruit flies versus Caribbean fruit flies that have been irradiated with gamma rays, and diagnosis of human skin cancer lesions. The nitrogen-based explosives and Caribbean fruit flies have been analyzed with the DLIPS scheme using the imaging modality, providing complementary information to the spectroscopic scheme. In each study, a comparison between absolute fluorescence signals and DLIPS responses showed that DLIPS statistically outperformed traditional fluorescence techniques with regards to regression error and classification.

Raman Spectroscopic Detection of Graphitic Carbon of Biogenic Parentage in an Ancient South African Chert

NASA Technical Reports Server (NTRS)

Wang, Alian; Haskin, Larry A.; Kuebler, Karla E.; Jolliff, Bradley L.; Walsh, Maud M.

2001-01-01

The detection of reduced carbon in martian rocks and soils is important in the search for evidence of life. A Raman spectroscopic study of South Africa chert reveals that 50 ppm carbon or less can be determined by this technique. Additional information is contained in the original extended abstract.

Spectrometry: Report of panel

NASA Technical Reports Server (NTRS)

Farmer, C. Barney; Murcray, David G.; Abreu, Vincent; Gille, John C.; Hanel, Rudolph A.; Hoell, James M., Jr.; Jamieson, John A.; Zwick, Harold

1987-01-01

Spectroscopic measurements are required to define the spectral background and provide the detailed spectral information that is essential for the design of species-specific systems and the analysis of data obtained from them. This function of spectroscopic measurements is expected to be an important part of any tropospheric remote-sensing program, and both emission and absorption spectroscopy are relevant in this context. The data from such observations are of value to tropospheric science in their own right, during the initial phases while species-specific techniques and instruments are under development. In addition, there are a number of unresolved problems in tropospheric radiative transfer and spectroscopy which presently limit the accuracy and reliability of all remote sensing methods. Only through a supporting program of spectroscopic measurements can progress be made in improving the understanding of these aspects of radiative transfer and ultimately reaching the desired confidence in the accuracy to species-specific monitoring techniques.

Spectroscopic analysis of solar and cosmic X-ray spectra. 1: The nature of cosmic X-ray spectra and proposed analytical techniques

NASA Technical Reports Server (NTRS)

Walker, A. B. C., Jr.

1975-01-01

Techniques for the study of the solar corona are reviewed as an introduction to a discussion of modifications required for the study of cosmic sources. Spectroscopic analysis of individual sources and the interstellar medium is considered. The latter was studied via analysis of its effect on the spectra of selected individual sources. The effects of various characteristics of the ISM, including the presence of grains, molecules, and ionization, are first discussed, and the development of ISM models is described. The expected spectral structure of individual cosmic sources is then reviewed with emphasis on supernovae remnants and binary X-ray sources. The observational and analytical requirements imposed by the characteristics of these sources are identified, and prospects for the analysis of abundances and the study of physical parameters within them are assessed. Prospects for the spectroscopic study of other classes of X-ray sources are also discussed.

The Sloan Digital Sky Survey-II: Photometry and Supernova Ia Light Curves from the 2005 Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holtzman, Jon A.; /New Mexico State U.; Marriner, John

2010-08-26

We present ugriz light curves for 146 spectroscopically confirmed or spectroscopically probable Type Ia supernovae from the 2005 season of the SDSS-II Supernova survey. The light curves have been constructed using a photometric technique that we call scene modeling, which is described in detail here; the major feature is that supernova brightnesses are extracted from a stack of images without spatial resampling or convolution of the image data. This procedure produces accurate photometry along with accurate estimates of the statistical uncertainty, and can be used to derive photometry taken with multiple telescopes. We discuss various tests of this technique thatmore » demonstrate its capabilities. We also describe the methodology used for the calibration of the photometry, and present calibrated magnitudes and fluxes for all of the spectroscopic SNe Ia from the 2005 season.« less

Synthesis and characterization of porous CaCO3 micro/nano-particles

NASA Astrophysics Data System (ADS)

Achour, A.; Arman, A.; Islam, M.; Zavarian, A. A.; Basim Al-Zubaidi, A.; Szade, J.

2017-06-01

Porous CaCO3 particles, both micro and nano sized, were synthesized in a mixture of Ca(OH)2, hyaluronic acid (HA), glycine, NaOH and NaCl solution with supercritical carbon dioxide. The particles were characterized using X-Ray Diffraction (XRD), Fourier Transform Infrared (FTIR) spectroscope, Raman spectroscope (RS), X-ray photoelectron spectroscope (XPS) and scanning electron microscope techniques. All these techniques showed that the particles crystallize into only one CaCO3 structure, namely the vaterite phase. In addition, FTIR, RS and XPS indicated the presence of residual reactive species i.e. glycine, NaCl, and HA. The XRD results confirmed the presence of NaCl and γ-glycine, which is a crystalline material. Moreover, the HA seems to be mostly embedded in the bulk of the micro-particles. Such materials are promising for biomedical applications such as drug delivery.

Optical remote sensing of asteroid surfaces from spacecraft

NASA Technical Reports Server (NTRS)

Mccord, T. B.

1978-01-01

Reflectance spectroscopy and multispectral mapping are the techniques likely to be most useful for determining asteroid surfaces. Several other techniques should be considered for providing complementary information.

Glucose Oxidase Adsorption on Sequential Adsorbed Polyelectrolyte Films Studied by Spectroscopic Techniques

NASA Astrophysics Data System (ADS)

Tristán, Ferdinando; Solís, Araceli; Palestino, Gabriela; Gergely, Csilla; Cuisinier, Frédéric; Pérez, Elías

2005-04-01

The adsorption of Glucose Oxidase (GOX) on layers of poly(allylamine hydrochloride) (PAH) and poly(acrylic acid) (PAA) deposited on Sequentially Adsorbed Polyelectrolyte Films (SAPFs) were studied by three different spectroscopic techniques. These techniques are: Optical Wave Light Spectroscopy (OWLS) to measure surface density; Fluorescence Resonance Energy Transfer (FRET) to verify the adsorption of GOX on the surface; and Fourier Transform Infrared Spectroscopy in Attenuated Total Reflection mode (FTIR-HATR) to inspect local structure of polyelectrolytes and GOX. Two positive and two negative polyelectrolytes are used: Cationic poly(ethyleneimine) (PEI) and poly(allylamine hydrochloride) (PAH) and anionic poly(sodium 4-styrene sulfonate) (PSS) and poly(acrylic acid) (PAA). These spectroscopic techniques do not require any labeling for GOX or SAPFs, specifically GOX and PSS are naturally fluorescent and are used as a couple donor-acceptor for the FRET technique. The SAPFs are formed by a (PEI)-(PSS/PAH)2 film followed by (PAA/PAH)n bilayers. GOX is finally deposited on top of SAPFs at different values of n (n=1..5). Our results show that GOX is adsorbed on positive ended SAPFs forming a monolayer. Contrary, GOX adsorption is not observed on negative ended film polyelectrolyte. GOX stability was tested adding a positive and a negative polyelectrolyte after GOX adsorption. Protein is partially removed by PAH and PAA, with lesser force by PAA.

A versatile setup using femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Yujie, E-mail: styojm@physics.tamu.edu; Voronine, Dmitri V.; Sokolov, Alexei V.

2015-08-15

We report a versatile setup based on the femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering. The setup uses a femtosecond Ti:Sapphire oscillator source and a folded 4f pulse shaper, in which the pulse shaping is carried out through conventional optical elements and does not require a spatial light modulator. Our setup is simple in alignment, and can be easily switched between the collinear single-beam and the noncollinear two-beam configurations. We demonstrate the capability for investigating both transparent and highly scattering samples by detecting transmitted and reflected signals, respectively.

Vibrational Micro-Spectroscopy of Human Tissues Analysis: Review.

PubMed

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.

A Parallel Spectroscopic Method for Examining Dynamic Phenomena on the Millisecond Time Scale

PubMed Central

Snively, Christopher M.; Chase, D. Bruce; Rabolt, John F.

2009-01-01

An infrared spectroscopic technique based on planar array infrared (PAIR) spectroscopy has been developed that allows the acquisition of spectra from multiple samples simultaneously. Using this technique, it is possible to acquire spectra over a spectral range of 950–1900cm−1 with a temporal resolution of 2.2ms. The performance of this system was demonstrated by determining the shear-induced orientational response of several low molecular weight liquid crystals. Five different liquid crystals were examined in combination with five different alignment layers, and both primary and secondary screens were demonstrated. Implementation of this high throughput PAIR technique resulted in a reduction in acquisition time as compared to both step-scan and ultra-rapid-scanning FTIR spectroscopy. PMID:19239197

Nanoantenna-Enhanced Infrared Spectroscopic Chemical Imaging.

PubMed

Kühner, Lucca; Hentschel, Mario; Zschieschang, Ute; Klauk, Hagen; Vogt, Jochen; Huck, Christian; Giessen, Harald; Neubrech, Frank

2017-05-26

Spectroscopic infrared chemical imaging is ideally suited for label-free and spatially resolved characterization of molecular species, but often suffers from low infrared absorption cross sections. Here, we overcome this limitation by utilizing confined electromagnetic near-fields of resonantly excited plasmonic nanoantennas, which enhance the molecular absorption by orders of magnitude. In the experiments, we evaporate microstructured chemical patterns of C 60 and pentacene with nanometer thickness on top of homogeneous arrays of tailored nanoantennas. Broadband mid-infrared spectra containing plasmonic and vibrational information were acquired with diffraction-limited resolution using a two-dimensional focal plane array detector. Evaluating the enhanced infrared absorption at the respective frequencies, spatially resolved chemical images were obtained. In these chemical images, the microstructured chemical patterns are only visible if nanoantennas are used. This confirms the superior performance of our approach over conventional spectroscopic infrared imaging. In addition to the improved sensitivity, our technique provides chemical selectivity, which would not be available with plasmonic imaging that is based on refractive index sensing. To extend the accessible spectral bandwidth of nanoantenna-enhanced spectroscopic imaging, we employed nanostructures with dual-band resonances, providing broadband plasmonic enhancement and sensitivity. Our results demonstrate the potential of nanoantenna-enhanced spectroscopic infrared chemical imaging for spatially resolved characterization of organic layers with thicknesses of several nanometers. This is of potential interest for medical applications which are currently hampered by state-of-art infrared techniques, e.g., for distinguishing cancerous from healthy tissues.

AKARI Infrared Camera Survey of the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Shimonishi, Takashi; Kato, Daisuke; Ita, Yoshifusa; Onaka, Takashi

2015-08-01

The Large Magellanic Cloud (LMC) is one of the closest external galaxies to the Milky Way and has been playing a central role in various fields of modern astronomy and astrophysics. We conducted an unbiased near- to mid-infrared imaging and spectroscopic survey of the LMC with the infrared satellite AKARI. An area of about 10 square degrees of the LMC was observed by five imaging bands (each centered at 3.2, 7, 11, 15, and 24 micron) and the low-resolution slitless prism spectroscopy mode (2--5 micron, R~20) equipped with the Infrared Camera on board AKARI. Based on the data obtained in the survey, we constructed the photometric and spectroscopic catalogues of point sources in the LMC. The photometric catalogue includes about 650,000, 90,000, 49,000, 17,000, 7,000 sources at 3.2, 7, 11, 15, and 24 micron, respectively (Ita et al. 2008, PASJ, 60, 435; Kato et al. 2012, AJ, 144, 179), while the spectroscopic catalogue includes 1,757 sources (Shimonishi et al. 2013, AJ, 145, 32). Both catalogs are publicly released and available through a website (AKARI Observers Page, http://www.ir.isas.ac.jp/AKARI/Observation/). The catalog includes various infrared sources such as young stellar objects, asymptotic giant branch stars, giants/supergiants, and many other cool or dust-enshrouded stars. A large number of near-infrared spectral data, coupled with complementary broadband photometric data, allow us to investigate infrared spectral features of sources by comparison with their spectral energy distributions. Combined use of the present AKARI LMC catalogues with other infrared catalogues such as SAGE and HERITAGE possesses scientific potential that can be applied to various astronomical studies. In this presentation, we report the details of the AKARI photometric and spectroscopic catalogues of the LMC.

Push-through Direction Injectin NMR Automation

EPA Science Inventory

Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the two major spectroscopic techniques successfully used in metabolomics studies. The non-invasive, quantitative and reproducible characteristics make NMR spectroscopy an excellent technique for detection of endogeno...

Using non-invasive molecular spectroscopic techniques to detect unique aspects of protein Amide functional groups and chemical properties of modeled forage from different sourced-origins

NASA Astrophysics Data System (ADS)

Ji, Cuiying; Zhang, Xuewei; Yu, Peiqiang

2016-03-01

The non-invasive molecular spectroscopic technique-FT/IR is capable to detect the molecular structure spectral features that are associated with biological, nutritional and biodegradation functions. However, to date, few researches have been conducted to use these non-invasive molecular spectroscopic techniques to study forage internal protein structures associated with biodegradation and biological functions. The objectives of this study were to detect unique aspects and association of protein Amide functional groups in terms of protein Amide I and II spectral profiles and chemical properties in the alfalfa forage (Medicago sativa L.) from different sourced-origins. In this study, alfalfa hay with two different origins was used as modeled forage for molecular structure and chemical property study. In each forage origin, five to seven sources were analyzed. The molecular spectral profiles were determined using FT/IR non-invasive molecular spectroscopy. The parameters of protein spectral profiles included functional groups of Amide I, Amide II and Amide I to II ratio. The results show that the modeled forage Amide I and Amide II were centered at 1653 cm- 1 and 1545 cm- 1, respectively. The Amide I spectral height and area intensities were from 0.02 to 0.03 and 2.67 to 3.36 AI, respectively. The Amide II spectral height and area intensities were from 0.01 to 0.02 and 0.71 to 0.93 AI, respectively. The Amide I to II spectral peak height and area ratios were from 1.86 to 1.88 and 3.68 to 3.79, respectively. Our results show that the non-invasive molecular spectroscopic techniques are capable to detect forage internal protein structure features which are associated with forage chemical properties.

Predicting meat quality traits of ovine m. semimembranosus, both fresh and following freezing and thawing, using a hand held Raman spectroscopic device.

PubMed

Fowler, Stephanie M; Schmidt, Heinar; van de Ven, Remy; Wynn, Peter; Hopkins, David L

2015-10-01

Complementary studies were conducted to determine the potential for a Raman spectroscopic hand held device to predict meat quality traits of fresh lamb m. semimembranosus (topside) after ageing and freezing/thawing. Spectra were collected from 80 fresh muscles at 24h and 5d PM, another 80 muscles were measured at 24h, 5d and following freezing/thawing. Shear force, cooking loss, sarcomere length, colour, particle size, collagen content, pH24, pHu, purge and thaw loss were also measured. Results indicated a potential to predict pHu (R(2)cv=0.59), pH24 (R(2)cv=0.48) and purge (R(2)cv=0.42) using spectra collected 24h PM. L* could be predicted using spectra collected 24h (R(2)cv=0.33) or 5d PM (R(2)cv=0.33). This suggests that Raman spectroscopy is suited to identifying carcases which deviate from the normal metabolic processes and related meat quality traits. Copyright © 2015. Published by Elsevier Ltd.

In situ spectroscopic identification of neptunium(V) inner-sphere complexes on the hematite-water interface.

PubMed

Müller, Katharina; Gröschel, Annett; Rossberg, André; Bok, Frank; Franzen, Carola; Brendler, Vinzenz; Foerstendorf, Harald

2015-02-17

Hematite plays a decisive role in regulating the mobility of contaminants in rocks and soils. The Np(V) reactions at the hematite-water interface were comprehensively investigated by a combined approach of in situ vibrational spectroscopy, X-ray absorption spectroscopy and surface complexation modeling. A variety of sorption parameters such as Np(V) concentration, pH, ionic strength, and the presence of bicarbonate was considered. Time-resolved IR spectroscopic sorption experiments at the iron oxide-water interface evidenced the formation of a single monomer Np(V) inner-sphere sorption complex. EXAFS provided complementary information on bidentate edge-sharing coordination. In the presence of atmospherically derived bicarbonate the formation of the bis-carbonato inner-sphere complex was confirmed supporting previous EXAFS findings.1 The obtained molecular structure allows more reliable surface complexation modeling of recent and future macroscopic data. Such confident modeling is mandatory for evaluating water contamination and for predicting the fate and migration of radioactive contaminants in the subsurface environment as it might occur in the vicinity of a radioactive waste repository or a reprocessing plant.

On the structural intricacies of a metabolic precursor: Direct spectroscopic detection of water-induced conformational reshaping of mevalonolactone

NASA Astrophysics Data System (ADS)

Domingos, Sérgio R.; Pérez, Cristóbal; Schnell, Melanie

2017-09-01

We use high-resolution rotational spectroscopy to investigate the structural intricacies of the lactone form of mevalonic acid, precursor of the mevalonate pathway. By combining microwave spectroscopy with supersonic expansions and quantum-chemical calculations, we determine the two most stable conformations of the precursor. Complementary micro-solvation studies reveal that aggregation of the first water molecule induces a substantial structural rearrangement comprising a hydroxy rotation and an endocyclic core torsion to create a favourable geometry to accommodate the water molecule. We discuss the conformational aspects of the precursor in isolation and under micro-hydrated conditions.

An RGB approach to extraordinary spectra

NASA Astrophysics Data System (ADS)

Grusche, Sascha; Theilmann, Florian

2015-09-01

After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

Cluster mislocation in kinematic Sunyaev-Zel'dovich (kSZ) effect extraction

NASA Astrophysics Data System (ADS)

Calafut, Victoria Rose; Bean, Rachel; Yu, Byeonghee

2018-01-01

We investigate the impact of a variety of analysis assumptions that influence cluster identification and location on the kSZ pairwise momentum signal and covariance estimation. Photometric and spectroscopic galaxy tracers from SDSS, WISE, and DECaLs, spanning redshifts 0.05

Quantitative assessment of copper proteinates used as animal feed additives using ATR-FTIR spectroscopy and powder X-ray diffraction (PXRD) analysis.

PubMed

Cantwell, Caoimhe A; Byrne, Laurann A; Connolly, Cathal D; Hynes, Michael J; McArdle, Patrick; Murphy, Richard A

2017-08-01

The aim of the present work was to establish a reliable analytical method to determine the degree of complexation in commercial metal proteinates used as feed additives in the solid state. Two complementary techniques were developed. Firstly, a quantitative attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic method investigated modifications in vibrational absorption bands of the ligand on complex formation. Secondly, a powder X-ray diffraction (PXRD) method to quantify the amount of crystalline material in the proteinate product was developed. These methods were developed in tandem and cross-validated with each other. Multivariate analysis (MVA) was used to develop validated calibration and prediction models. The FTIR and PXRD calibrations showed excellent linearity (R 2  > 0.99). The diagnostic model parameters showed that the FTIR and PXRD methods were robust with a root mean square error of calibration RMSEC ≤3.39% and a root mean square error of prediction RMSEP ≤7.17% respectively. Comparative statistics show excellent agreement between the MVA packages assessed and between the FTIR and PXRD methods. The methods can be used to determine the degree of complexation in complexes of both protein hydrolysates and pure amino acids.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timmermans, F. J.; Otto, C.

New developments in the field of microscopy enable to acquire increasing amounts of information from large sample areas and at an increased resolution. Depending on the nature of the technique, the information may reveal morphological, structural, chemical, and still other sample characteristics. In research fields, such as cell biology and materials science, there is an increasing demand to correlate these individual levels of information and in this way to obtain a better understanding of sample preparation and specific sample properties. To address this need, integrated systems were developed that combine nanometer resolution electron microscopes with optical microscopes, which produce chemicallymore » or label specific information through spectroscopy. The complementary information from electron microscopy and light microscopy presents an opportunity to investigate a broad range of sample properties in a correlated fashion. An important part of correlating the differences in information lies in bridging the different resolution and image contrast features. The trend to analyse samples using multiple correlated microscopes has resulted in a new research field. Current research is focused, for instance, on (a) the investigation of samples with nanometer scale distribution of inorganic and organic materials, (b) live cell analysis combined with electron microscopy, and (c) in situ spectroscopic and electron microscopy analysis of catalytic materials, but more areas will benefit from integrated correlative microscopy.« less

Nonlinear vibrational microscopy

DOEpatents

Holtom, Gary R.; Xie, Xiaoliang Sunney; Zumbusch, Andreas

2000-01-01

The present invention is a method and apparatus for microscopic vibrational imaging using coherent Anti-Stokes Raman Scattering or Sum Frequency Generation. Microscopic imaging with a vibrational spectroscopic contrast is achieved by generating signals in a nonlinear optical process and spatially resolved detection of the signals. The spatial resolution is attained by minimizing the spot size of the optical interrogation beams on the sample. Minimizing the spot size relies upon a. directing at least two substantially co-axial laser beams (interrogation beams) through a microscope objective providing a focal spot on the sample; b. collecting a signal beam together with a residual beam from the at least two co-axial laser beams after passing through the sample; c. removing the residual beam; and d. detecting the signal beam thereby creating said pixel. The method has significantly higher spatial resolution then IR microscopy and higher sensitivity than spontaneous Raman microscopy with much lower average excitation powers. CARS and SFG microscopy does not rely on the presence of fluorophores, but retains the resolution and three-dimensional sectioning capability of confocal and two-photon fluorescence microscopy. Complementary to these techniques, CARS and SFG microscopy provides a contrast mechanism based on vibrational spectroscopy. This vibrational contrast mechanism, combined with an unprecedented high sensitivity at a tolerable laser power level, provides a new approach for microscopic investigations of chemical and biological samples.

Contributed review: Review of integrated correlative light and electron microscopy.

PubMed

Timmermans, F J; Otto, C

2015-01-01

New developments in the field of microscopy enable to acquire increasing amounts of information from large sample areas and at an increased resolution. Depending on the nature of the technique, the information may reveal morphological, structural, chemical, and still other sample characteristics. In research fields, such as cell biology and materials science, there is an increasing demand to correlate these individual levels of information and in this way to obtain a better understanding of sample preparation and specific sample properties. To address this need, integrated systems were developed that combine nanometer resolution electron microscopes with optical microscopes, which produce chemically or label specific information through spectroscopy. The complementary information from electron microscopy and light microscopy presents an opportunity to investigate a broad range of sample properties in a correlated fashion. An important part of correlating the differences in information lies in bridging the different resolution and image contrast features. The trend to analyse samples using multiple correlated microscopes has resulted in a new research field. Current research is focused, for instance, on (a) the investigation of samples with nanometer scale distribution of inorganic and organic materials, (b) live cell analysis combined with electron microscopy, and (c) in situ spectroscopic and electron microscopy analysis of catalytic materials, but more areas will benefit from integrated correlative microscopy.

Non-invasive spectroscopic techniques in the diagnosis of non-melanoma skin cancer

NASA Astrophysics Data System (ADS)

Drakaki, E.; Sianoudis, IA; Zois, EN; Makropoulou, M.; Serafetinides, AA; Dessinioti, C.; Stefanaki, E.; Stratigos, AJ; Antoniou, C.; Katsambas, A.; Christofidou, E.

2017-11-01

The number of non-melanoma skin cancers is increasing worldwide and has become an important health and economic issue. Early detection and treatment of skin cancer can significantly improve patient outcome. Therefore there is an increase in the demand for proper management and effective non-invasive diagnostic modalities in order to avoid relapses or unnecessary treatments. Although the gold standard of diagnosis for non-melanoma skin cancers is biopsy followed by histopathology evaluation, optical non-invasive diagnostic tools have obtained increased attention. Emerging non-invasive or minimal invasive techniques with possible application in the diagnosis of non-melanoma skin cancers include high-definition optical coherence tomography, fluorescence spectroscopy, oblique incidence diffuse reflectance spectrometry among others spectroscopic techniques. Our findings establish how those spectrometric techniques can be used to more rapidly and easily diagnose skin cancer in an accurate and automated manner in the clinic.

Spectroscopic vector analysis for fast pattern quality monitoring

NASA Astrophysics Data System (ADS)

Sohn, Younghoon; Ryu, Sungyoon; Lee, Chihoon; Yang, Yusin

2018-03-01

In semiconductor industry, fast and effective measurement of pattern variation has been key challenge for assuring massproduct quality. Pattern measurement techniques such as conventional CD-SEMs or Optical CDs have been extensively used, but these techniques are increasingly limited in terms of measurement throughput and time spent in modeling. In this paper we propose time effective pattern monitoring method through the direct spectrum-based approach. In this technique, a wavelength band sensitive to a specific pattern change is selected from spectroscopic ellipsometry signal scattered by pattern to be measured, and the amplitude and phase variation in the wavelength band are analyzed as a measurement index of the pattern change. This pattern change measurement technique is applied to several process steps and verified its applicability. Due to its fast and simple analysis, the methods can be adapted to the massive process variation monitoring maximizing measurement throughput.

Neutron, fluorescence, and optical imaging: An in situ combination of complementary techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagner, D.; Egelhaaf, S. U.; Hermes, H. E.

2015-09-15

An apparatus which enables the simultaneous combination of three complementary imaging techniques, optical imaging, fluorescence imaging, and neutron radiography, is presented. While each individual technique can provide information on certain aspects of the sample and their time evolution, a combination of the three techniques in one setup provides a more complete and consistent data set. The setup can be used in transmission and reflection modes and thus with optically transparent as well as opaque samples. Its capabilities are illustrated with two examples. A polymer hydrogel represents a transparent sample and the diffusion of fluorescent particles into and through this polymermore » matrix is followed. In reflection mode, the absorption of solvent by a nile red-functionalized mesoporous silica powder and the corresponding change in fluorescent signal are studied.« less

Single-molecule spectroscopic methods.

PubMed

Haustein, Elke; Schwille, Petra

2004-10-01

Being praised for the mere fact of enabling the detection of individual fluorophores a dozen years ago, single-molecule techniques nowadays represent standard methods for the elucidation of the structural rearrangements of biologically relevant macromolecules. Single-molecule-sensitive techniques, such as fluorescence correlation spectroscopy, allow real-time access to a multitude of molecular parameters (e.g. diffusion coefficients, concentration and molecular interactions). As a result of various recent advances, this technique shows promise even for intracellular applications. Fluorescence imaging can reveal the spatial localization of fluorophores on nanometer length scales, whereas fluorescence resonance energy transfer supports a wide range of different applications, including real-time monitoring of conformational rearrangements (as in protein folding). Still in their infancy, single-molecule spectroscopic methods thus provide unprecedented insights into basic molecular mechanisms. Copyright 2004 Elsevier Ltd.

Single-pixel imaging using balanced detection and a digital micromirror device

NASA Astrophysics Data System (ADS)

Soldevila, F.; Clemente, P.; Tajahuerce, E.; Uribe-Patarroyo, Néstor; Andrés, P.; Lancis, J.

2018-02-01

Over the past decade, single-pixel imaging (SPI) has established as a viable tool in scenarios where traditional imaging techniques struggle to provide images with acceptable quality in practicable times and reasonable costs. However, SPI still has several limitations inherent to the technique, such as working with spurious light and in real time. Here we present a novel approach, using complementary measurements and a single balanced detector. By using balanced detection, we improve the frame rate of the complementary measurement architectures by a factor of two. Furthermore, the use of a balanced detector provides environmental light immunity to the method.

Capsule endoscope localization based on computer vision technique.

PubMed

Liu, Li; Hu, Chao; Cai, Wentao; Meng, Max Q H

2009-01-01

To build a new type of wireless capsule endoscope with interactive gastrointestinal tract examination, a localization and orientation system is needed for tracking 3D location and 3D orientation of the capsule movement. The magnetic localization and orientation method produces only 5 DOF, but misses the information of rotation angle along capsule's main axis. In this paper, we presented a complementary orientation approach for the capsule endoscope, and the 3D rotation can be determined by applying computer vision technique on the captured endoscopic images. The experimental results show that the complementary orientation method has good accuracy and high feasibility.

Spectroscopic studies of gel grown zinc doped calcium hydrogen phosphate dihydrate crystals

NASA Astrophysics Data System (ADS)

Suryawanshi, V. B.; Chaudhari, R. T.

2018-05-01

The influence of zinc doping on the gel grown calcium hydrogen phosphate dihydrate crystals was studied using the spectroscopic techniques, which included SEM, FTIR and EDAX. It was found that, zinc ions transform the morphology of brushite crystals from rectangular plate shaped crystals to branching microcrystal patterns. However in FT-IR spectroscopy, as compared to undoped brushite crystals few vibrations were shifted to higher value. The observed changes in the vibrations were due to the impact of zinc ions. EDAX techniques is use to determine the percentage composition of elements present in the doped crystals. It revealed that the sample was of a mixed composition.

Spectroscopic techniques (Mössbauer spectrometry, NMR, ESR,…) as tools to resolve doubtful NMR images: Study of the craniopharyngioma tumor

NASA Astrophysics Data System (ADS)

Rimbert, J. N.; Dumas, F.; Lafargue, C.; Kellershohn, C.; Brunelle, F.; Lallemand, D.

1990-07-01

Craniopharyngioma, an intracranial tumor, exhibits hyperintensity in the Spin-Echo-T2-NMR image and a hyposignal in the SE-T1-image. However, in some cases (15-20% cases), hypersignals are seen in both SE-T1 and T2-MRI. Using spectroscopic techniques, Mössbauer spectrometry in particular, we have demonstrated that the T1 hypersignal is due to ferritin, dissolved in the cystic liquid, after tumor cell lysis, in the course of time. Other possible reasons inducing a shortening of the T1 relaxation time (presence of lipids, intratumoral hemorrhage) have been rejected.

Characteristic of Nano-Cu Film Prepared by Energy Filtrating Magnetron Sputtering Technique and Its Optical Property

NASA Astrophysics Data System (ADS)

Wang, Zhaoyong; Hu, Xing; Yao, Ning

2015-03-01

At the optimized deposition parameters, Cu film was deposited by the direct current magnetron sputtering (DMS) technique and the energy filtrating magnetron sputtering (EFMS) technique. The nano-structure was charactered by x-ray diffraction. The surface morphology of the film was observed by atomic force microscopy. The optical properties of the film were measured by spectroscopic ellipsometry. The refractive index, extinction coefficient and the thickness of the film were obtained by the fitted spectroscopic ellipsometry data using the Drude-Lorentz oscillator optical model. Results suggested that a Cu film with different properties was fabricated by the EFMS technique. The film containing smaller particles is denser and the surface is smoother. The average transmission coefficient, the refractive index and the extinction coefficients are higher than those of the Cu film deposited by the DMS technique. The average transmission coefficient (400-800 nm) is more than three times higher. The refractive index and extinction coefficient (at 550 nm) are more than 36% and 14% higher, respectively.

Determination of toxigenic fungi and aflatoxins in nuts and dried fruits using imaging and spectroscopic techniques.

PubMed

Wu, Qifang; Xie, Lijuan; Xu, Huirong

2018-06-30

Nuts and dried fruits contain rich nutrients and are thus highly vulnerable to contamination with toxigenic fungi and aflatoxins because of poor weather, processing and storage conditions. Imaging and spectroscopic techniques have proven to be potential alternative tools to wet chemistry methods for efficient and non-destructive determination of contamination with fungi and toxins. Thus, this review provides an overview of the current developments and applications in frequently used food safety testing techniques, including near infrared spectroscopy (NIRS), mid-infrared spectroscopy (MIRS), conventional imaging techniques (colour imaging (CI) and hyperspectral imaging (HSI)), and fluorescence spectroscopy and imaging (FS/FI). Interesting classification and determination results can be found in both static and on/in-line real-time detection for contaminated nuts and dried fruits. Although these techniques offer many benefits over conventional methods, challenges remain in terms of heterogeneous distribution of toxins, background constituent interference, model robustness, detection limits, sorting efficiency, as well as instrument development. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Course in Heterogeneous Catalysis: Principles, Practice, and Modern Experimental Techniques.

ERIC Educational Resources Information Center

Wolf, Eduardo E.

1981-01-01

Outlines a multidisciplinary course which comprises fundamental, practical, and experimental aspects of heterogeneous catalysis. The course structure is a combination of lectures and demonstrations dealing with the use of spectroscopic techniques for surface analysis. (SK)

Raman Spectroscopic Imaging of the Whole Ciona intestinalis Embryo during Development

PubMed Central

Nakamura, Mitsuru J.; Hotta, Kohji; Oka, Kotaro

2013-01-01

Intracellular composition and the distribution of bio-molecules play central roles in the specification of cell fates and morphogenesis during embryogenesis. Consequently, investigation of changes in the expression and distribution of bio-molecules, especially mRNAs and proteins, is an important challenge in developmental biology. Raman spectroscopic imaging, a non-invasive and label-free technique, allows simultaneous imaging of the intracellular composition and distribution of multiple bio-molecules. In this study, we explored the application of Raman spectroscopic imaging in the whole Ciona intestinalis embryo during development. Analysis of Raman spectra scattered from C. intestinalis embryos revealed a number of localized patterns of high Raman intensity within the embryo. Based on the observed distribution of bio-molecules, we succeeded in identifying the location and structure of differentiated muscle and endoderm within the whole embryo, up to the tailbud stage, in a label-free manner. Furthermore, during cell differentiation, we detected significant differences in cell state between muscle/endoderm daughter cells and daughter cells with other fates that had divided from the same mother cells; this was achieved by focusing on the Raman intensity of single Raman bands at 1002 or 1526 cm−1, respectively. This study reports the first application of Raman spectroscopic imaging to the study of identifying and characterizing differentiating tissues in a whole chordate embryo. Our results suggest that Raman spectroscopic imaging is a feasible label-free technique for investigating the developmental process of the whole embryo of C. intestinalis. PMID:23977129

Simulation and analysis of spectroscopic filter of rotational Raman lidar for absolute measurement of atmospheric temperature

NASA Astrophysics Data System (ADS)

Li, Qimeng; Li, Shichun; Hu, Xianglong; Zhao, Jing; Xin, Wenhui; Song, Yuehui; Hua, Dengxin

2018-01-01

The absolute measurement technique for atmospheric temperature can avoid the calibration process and improve the measurement accuracy. To achieve the rotational Raman temperature lidar of absolute measurement, the two-stage parallel multi-channel spectroscopic filter combined a first-order blazed grating with a fiber Bragg grating is designed and its performance is tested. The parameters and the optical path structure of the core cascaded-device (micron-level fiber array) are optimized, the optical path of the primary spectroscope is simulated and the maximum centrifugal distortion of the rotational Raman spectrum is approximately 0.0031 nm, the centrifugal ratio of 0.69%. The experimental results show that the channel coefficients of the primary spectroscope are 0.67, 0.91, 0.67, 0.75, 0.82, 0.63, 0.87, 0.97, 0.89, 0.87 and 1 by using the twelfth channel as a reference and the average FWHM is about 0.44 nm. The maximum deviation between the experimental wavelength and the theoretical value is approximately 0.0398 nm, with the deviation degree of 8.86%. The effective suppression to elastic scattering signal are 30.6, 35.2, 37.1, 38.4, 36.8, 38.2, 41.0, 44.3, 44.0, 46.7 dB. That means, combined with the second spectroscope, the suppression at least is up to 65 dB. Therefore we can fine extract single rotational Raman line to achieve the absolute measurement technique.

Automated high-throughput assessment of prostate biopsy tissue using infrared spectroscopic chemical imaging

NASA Astrophysics Data System (ADS)

Bassan, Paul; Sachdeva, Ashwin; Shanks, Jonathan H.; Brown, Mick D.; Clarke, Noel W.; Gardner, Peter

2014-03-01

Fourier transform infrared (FT-IR) chemical imaging has been demonstrated as a promising technique to complement histopathological assessment of biomedical tissue samples. Current histopathology practice involves preparing thin tissue sections and staining them using hematoxylin and eosin (H&E) after which a histopathologist manually assess the tissue architecture under a visible microscope. Studies have shown that there is disagreement between operators viewing the same tissue suggesting that a complementary technique for verification could improve the robustness of the evaluation, and improve patient care. FT-IR chemical imaging allows the spatial distribution of chemistry to be rapidly imaged at a high (diffraction-limited) spatial resolution where each pixel represents an area of 5.5 × 5.5 μm2 and contains a full infrared spectrum providing a chemical fingerprint which studies have shown contains the diagnostic potential to discriminate between different cell-types, and even the benign or malignant state of prostatic epithelial cells. We report a label-free (i.e. no chemical de-waxing, or staining) method of imaging large pieces of prostate tissue (typically 1 cm × 2 cm) in tens of minutes (at a rate of 0.704 × 0.704 mm2 every 14.5 s) yielding images containing millions of spectra. Due to refractive index matching between sample and surrounding paraffin, minimal signal processing is required to recover spectra with their natural profile as opposed to harsh baseline correction methods, paving the way for future quantitative analysis of biochemical signatures. The quality of the spectral information is demonstrated by building and testing an automated cell-type classifier based upon spectral features.

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

PubMed

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

2016-03-01

Specific analytical procedures are requested for the forensic analysis of pre- and post-blast consumer firework samples, which present significant challenges. Up to date, vibrational spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) have not been tested for the analysis of post-blast residues in spite of their interesting strengths for the forensic field. Therefore, this work proposes a simple and fast procedure for the sampling and analysis of consumer firework post-blast residues by a portable FTIR instrument with an Attenuated Total Reflection (ATR) accessory. In addition, the post-blast residues spectra of several consumer fireworks were studied in order to achieve the identification of their original chemical compositions. Hence, this work analysed 22 standard reagents usually employed to make consumer fireworks, or because they are related to their combustion products. Then, 5 different consumer fireworks were exploded, and their residues were sampled with dry cotton swabs and directly analysed by ATR-FTIR. In addition, their pre-blast fuses and charges were also analysed in order to stablish a proper comparison. As a result, the identification of the original chemical compositions of the post-blast samples was obtained. Some of the compounds found were potassium chlorate, barium nitrate, potassium nitrate, potassium perchlorate or charcoal. An additional study involving chemometric tools found that the results might greatly depend on the swab head type used for the sampling, and its sampling efficiency. The proposed procedure could be used as a complementary technique for the analysis of consumer fireworks post-blast residues. Copyright © 2015 Elsevier B.V. All rights reserved.

Linear Optical and SERS Study on Metallic Membranes with Subwavelength Complementary Patterns

NASA Astrophysics Data System (ADS)

Hao, Qingzhen; Zeng, Yong; Jensen, Lasse; Werner, Douglas; Crespi, Vincent; Huang, Tony Jun; Interdepartmental Collaboration

2011-03-01

An efficient technique is developed to fabricate optically thin metallic films with subwavelength patterns and their complements simultaneously. By comparing the spectra of the complementary films, we show that Babinet's principle nearly holds in the optical domain. A discrete-dipole approximation can qualitatively describe their spectral dependence on the geometry of the constituent particles and the illuminating polarization. Using pyridine as probe molecules, we studied surface-enhanced Raman spectroscopy (SERS) from the complementary structure. Although the complementary structure posses closely related linear spectra, they have quite different near-field behaviors. For hole arrays, their averaged local field gains as well as the SERS enhancements are strongly correlated to their transmission spectra. We therefore can use cos 4 θ to approximately describe the dependence of the Raman intensity on the excitation polarization angle θ , while the complementary particle arrays present maximal local field gains at wavelengths generally much bigger than their localized surface plasmonic resonant wavelengths.

Controle des proprietes des couches optiques par bombardement ionique

NASA Astrophysics Data System (ADS)

Marushka, Viktor

The manufacture of optical coatings presents many challenges such as the control over the film properties and microstructure, the optimization for the production of thin films with high quality, and the research on new materials. Ion-assisted evaporation is one of the principal methods used for the fabrication of optical coatings as a response to these challenges. It allows for good process control, and it permits us to predict and put on an industrial scale the deposition process by considering the direct and quantitative relation between the energies of the incident ions, and the performance of the deposited materials. This work is devoted to the study of the effect of ion bombardment on the microstructure and properties of optical thin films of silicon dioxide and titanium dioxide, which are widely used in optical interference filters, in particular with the use of a Hall effect ion source. These studies include a systematic evaluation of the mechanical and optical properties and of the density of thin films using different complementary techniques - the Quartz Crystal Microbalance, Rutherford Backscattering Spectroscopy, and Infrared Variable Angle Spectroscopic Ellipsometry among others. Different approaches (Spectroscopic Ellipsometry and Infrared Ellipsometry, the measurement of mechanical stress) have been used to evaluate the amount of water in thin films. The results on the density of films and the presence of water in the films obtained by the different methods are in good agreement. It was found that the critical energy values giving rise to dense and stable optical coatings of silicon dioxide and titanium dioxide are 25 eV/atom and 45 eV/atom, respectively. Moreover, this work presents the methodology developed to determine the ion current density distribution on the surface of a substrate holder of a dome shape for different positions relative to the ion source. The proposed analysis can be used as an effective tool for the construction of an industrial reactor and for its appropriate optimization.

Low-loss Ca{sub 5-x}Sr{sub x}A{sub 2}TiO{sub 12} [A=Nb,Ta] ceramics: Microwave dielectric properties and vibrational spectroscopic analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bijumon, Pazhoor Varghese; Sebastian, Mailadil Thomas; Dias, Anderson

2005-05-15

Complex perovskite-type Ca{sub 5-x}Sr{sub x}A{sub 2}TiO{sub 12} [A=Nb,Ta] (0{<=}x{<=}5) ceramics were prepared by conventional solid-state ceramic route. The crystal structure, microwave dielectric properties, and vibrational spectroscopic characteristics of these materials are reported. The structure and microstructure were investigated by x-ray diffraction and scanning electron microscopy techniques. The microwave dielectric properties were measured in the 3-5-GHz frequency range by the resonance method. Structural evolutions from orthorhombic to an averaged pseudocubic phase, with associated changes in dielectric properties, were observed as a function of composition. The structure-property relationships in these ceramics were established using Raman and Fourier transform infrared spectroscopic techniques. Ramanmore » analysis showed characteristic bands of ordered perovskite materials, with variation in both intensity and frequency as a function of composition.« less

The application of visible absorption spectroscopy to the analysis of uranium in aqueous solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colletti, Lisa Michelle; Copping, Roy; Garduno, Katherine

Through assay analysis into an excess of 1 M H 2SO 4 at fixed temperature a technique has been developed for uranium concentration analysis by visible absorption spectroscopy over an assay concentration range of 1.8 – 13.4 mgU/g. Once implemented for a particular spectrophotometer and set of spectroscopic cells this technique promises to provide more rapid results than a classical method such as Davies-Gray (DG) titration analysis. While not as accurate and precise as the DG method, a comparative analysis study reveals that the spectroscopic method can analyze for uranium in well characterized uranyl(VI) solution samples to within 0.3% ofmore » the DG results. For unknown uranium solutions in which sample purity is less well defined agreement between the developed spectroscopic method and DG analysis is within 0.5%. The technique can also be used to detect the presence of impurities that impact the colorimetric analysis, as confirmed through the analysis of ruthenium contamination. Finally, extending the technique to other assay solution, 1 M HNO 3, HCl and Na 2CO 3, has also been shown to be viable. As a result, of the four aqueous media the carbonate solution yields the largest molar absorptivity value at the most intensely absorbing band, with the least impact of temperature.« less

The application of visible absorption spectroscopy to the analysis of uranium in aqueous solutions

DOE PAGES

Colletti, Lisa Michelle; Copping, Roy; Garduno, Katherine; ...

2017-07-18

Through assay analysis into an excess of 1 M H 2SO 4 at fixed temperature a technique has been developed for uranium concentration analysis by visible absorption spectroscopy over an assay concentration range of 1.8 – 13.4 mgU/g. Once implemented for a particular spectrophotometer and set of spectroscopic cells this technique promises to provide more rapid results than a classical method such as Davies-Gray (DG) titration analysis. While not as accurate and precise as the DG method, a comparative analysis study reveals that the spectroscopic method can analyze for uranium in well characterized uranyl(VI) solution samples to within 0.3% ofmore » the DG results. For unknown uranium solutions in which sample purity is less well defined agreement between the developed spectroscopic method and DG analysis is within 0.5%. The technique can also be used to detect the presence of impurities that impact the colorimetric analysis, as confirmed through the analysis of ruthenium contamination. Finally, extending the technique to other assay solution, 1 M HNO 3, HCl and Na 2CO 3, has also been shown to be viable. As a result, of the four aqueous media the carbonate solution yields the largest molar absorptivity value at the most intensely absorbing band, with the least impact of temperature.« less

Infrared spectroscopy and spectroscopic imaging in forensic science.

PubMed

Ewing, Andrew V; Kazarian, Sergei G

2017-01-16

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

Through the Looking GLASS: A JWST Exploration of Galaxy Formation and Evolution from Cosmic Dawn to Present Day

NASA Astrophysics Data System (ADS)

Treu, Tommaso; Abramson, L.; Bradac, M.; Brammer, G.; Fontana, A.; Henry, A.; Hoag, A.; Huang, K.; Mason, C.; Morishita, T.; Pentericci, L.; Wang, X.

2017-11-01

We propose a carefully designed set of observations of the lensing cluster Abell 2744 to study intrinsically faint magnified galaxies from the epoch of reionization to redshift of 1, demonstrating and characterizing complementary spectroscopic modes with NIRSPEC and NIRISS. The observations are designed to address the questions: 1) when did reionization happen and what were the sources of reionizing photons? 2) How do baryons cycle in and out of galaxies? This dataset with deep spectroscopy on the cluster and deep multiband NIRCAM imaging in parallel will enable a wealth of investigations and will thus be of interest to a broad section of the astronomical community. The dataset will illustrate the power and challenges of: 1) combining rest frame UV and optical NIRSPEC spectroscopy for galaxies at the epoch of reionization, 2) obtaining spatially resolved emission line maps with NIRISS, 3) combining NIRISS and NIRSPEC spectroscopy. Building on our extensive experience with HST slitless spectroscopy and imaging in clusters of galaxies as part of the GLASS, WISP, SURFSUP, and ASTRODEEP projects, we will provide the following science-enabling products to the community: 1)quantitative comparison of spatially resolved (NIRISS) and spectrally resolved (NIRSPEC) spectroscopy, 2) Object based interactive exploration tools for multi-instrument datasets, 3) Interface for easy forced extractionof slitless spectra based on coordinates, 4) UV-optical spectroscopic templates of highredshift galaxies, 5) NIRCAM parallel catalogs and a list of 26 z>=9 dropouts for spectroscopic follow-up in Cycle-2.

Raman spectroscopic analysis of human tissue engineered oral mucosa constructs (EVPOME) perturbed by physical and biochemical methods

NASA Astrophysics Data System (ADS)

Khmaladze, Alexander; Ganguly, Arindam; Raghavan, Mekhala; Kuo, Shiuhyang; Cole, Jacqueline H.; Marcelo, Cynthia L.; Feinberg, Stephen E.; Izumi, Kenji; Morris, Michael D.

2012-01-01

We show the application of near-infrared Raman Spectroscopy to in-vitro monitoring of the viability of tissue constructs (EVPOMEs). During their two week production period EVPOME may encounter thermal, chemical or biochemical stresses that could cause development to cease, rendering the affected constructs useless. We discuss the development of a Raman spectroscopic technique to study EVPOMEs noninvasively, with the ultimate goal of applying it in-vivo. We identify Raman spectroscopic failure indicators for EVPOMEs, which are stressed by temperature, and discuss the implications of varying calcium concentration and pre-treatment of the human keratinocytes with Rapamycin. In particular, Raman spectra show correlation of the peak height ratios of CH2 deformation to phenylalanine ring breathing, providing a Raman metric to distinguish between viable and nonviable constructs. We also show the results of singular value decomposition analysis, demonstrating the applicability of Raman spectroscopic technique to both distinguish between stressed and non-stressed EVPOME constructs, as well as between EVPOMEs and bare AlloDerm® substrates, on which the oral keratinocytes have been cultured. We also discuss complications arising from non-uniform thickness of the AlloDerm® substrate and the cultured constructs, as well as sampling protocols used to detect local stress and other problems that may be encountered in the constructs.

Progress in the Correlative Atomic Force Microscopy and Optical Microscopy

PubMed Central

Zhou, Lulu; Cai, Mingjun; Tong, Ti; Wang, Hongda

2017-01-01

Atomic force microscopy (AFM) has evolved from the originally morphological imaging technique to a powerful and multifunctional technique for manipulating and detecting the interactions between molecules at nanometer resolution. However, AFM cannot provide the precise information of synchronized molecular groups and has many shortcomings in the aspects of determining the mechanism of the interactions and the elaborate structure due to the limitations of the technology, itself, such as non-specificity and low imaging speed. To overcome the technical limitations, it is necessary to combine AFM with other complementary techniques, such as fluorescence microscopy. The combination of several complementary techniques in one instrument has increasingly become a vital approach to investigate the details of the interactions among molecules and molecular dynamics. In this review, we reported the principles of AFM and optical microscopy, such as confocal microscopy and single-molecule localization microscopy, and focused on the development and use of correlative AFM and optical microscopy. PMID:28441775

Expectations and responsibilities regarding the sale of complementary medicines in pharmacies: perspectives of consumers and pharmacy support staff.

PubMed

Iyer, Priya; McFarland, Reanna; La Caze, Adam

2017-08-01

Most sales of complementary medicines within pharmacies are conducted by pharmacy support staff. The absence of rigorous evidence for the effectiveness of many complementary medicines raises a number of ethical questions regarding the sale of complementary medicines in pharmacies. Explore (1) what consumers expect from pharmacists/pharmacies with regard to the sale of complementary medicines, and (2) how pharmacy support staff perceive their responsibilities when selling complementary medicines. One-on-one semi-structured interviews were conducted with a convenience sample of pharmacy support staff and consumers in pharmacies in Brisbane. Consumers were asked to describe their expectations when purchasing complementary medicines. Pharmacy support staff were asked to describe their responsibilities when selling complementary medicines. Interviews were conducted and analysed using the techniques developed within Grounded Theory. Thirty-three consumers were recruited from three pharmacies. Consumers described complementary medicine use as a personal health choice. Consumer expectations on the pharmacist included: select the right product for the right person, expert product knowledge and maintaining a wide range of good quality stock. Twenty pharmacy support staff were recruited from four pharmacies. Pharmacy support staff employed processes to ensure consumers receive the right product for the right person. Pharmacy support staff expressed a commitment to aiding consumers, but few evaluated the reliability of effectiveness claims regarding complementary medicines. Pharmacists need to respect the personal health choices of consumers while also putting procedures in place to ensure safe and appropriate use of complementary medicines. This includes providing appropriate support to pharmacy support staff. © 2016 Royal Pharmaceutical Society.

Melvin P. Tucker | NREL

Science.gov Websites

biomass to biofuels and products, with extensive expertise in high solids pretreatment, high solids techniques, high-performance liquid chromatography, and spectroscopic techniques (Fourier transform infrared , biochemists, chemists, and molecular biologist to deconstruct biomass into high concentration, low toxicity

A Primer of Fourier Transform NMR.

ERIC Educational Resources Information Center

Macomber, Roger S.

1985-01-01

Fourier transform nuclear magnetic resonance (NMR) is a new spectroscopic technique that is often omitted from undergraduate curricula because of lack of instructional materials. Therefore, information is provided to introduce students to the technique of data collection and transformation into the frequency domain. (JN)

A combined confocal and magnetic resonance microscope for biological studies

NASA Astrophysics Data System (ADS)

Majors, Paul D.; Minard, Kevin R.; Ackerman, Eric J.; Holtom, Gary R.; Hopkins, Derek F.; Parkinson, Christopher I.; Weber, Thomas J.; Wind, Robert A.

2002-12-01

Complementary data acquired with different microscopy techniques provide a basis for establishing a more comprehensive understanding of cell function in health and disease, particularly when results acquired with different methodologies can be correlated in time and space. In this article, a novel microscope is described for studying live cells simultaneously with both confocal scanning laser fluorescence optical microscopy and magnetic resonance microscopy. The various design considerations necessary for integrating these two complementary techniques are discussed, the layout and specifications of the instrument are given, and examples of confocal and magnetic resonance images of large frog cells and model tumor spheroids obtained with the compound microscope are presented.

Liquid chromatography/mass spectrometry and liquid chromatography/nuclear magnetic resonance as complementary analytical techniques for unambiguous identification of polymethoxylated flavones in residues from molecular distillation of orange peel oils (Citrus sinensis).

PubMed

Weber, Berthold; Hartmann, Beate; Stöckigt, Detlef; Schreiber, Klaus; Roloff, Michael; Bertram, Heinz-Jürgen; Schmidt, Claus O

2006-01-25

Liquid chromatography/mass spectrometry and liquid chromatography/nuclear magnetic resonance techniques with ultraviolet/diode array detection were used as complementary analytical tools for the reliable identification of polymethoxylated flavones in residues from molecular distillation of cold-pressed peel oils of Citrus sinensis. After development of a liquid chromatographic separation procedure, the presence of several polymethoxy flavones such as sinensetin, nobiletin, tangeretin, quercetogetin, heptamethoxyflavone, and other derivatives was unambiguously confirmed. In addition, proceranone, an acetylated tetranortriterpenoid with limonoid structure, was identified for the first time in citrus.

Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

PubMed Central

Bergmair, Michael; Bruno, Giovanni; Cattelan, Denis; Cobet, Christoph; de Martino, Antonello; Fleischer, Karsten; Dohcevic-Mitrovic, Zorana; Esser, Norbert; Galliet, Melanie; Gajic, Rados; Hemzal, Dušan; Hingerl, Kurt; Humlicek, Josef; Ossikovski, Razvigor; Popovic, Zoran V.; Saxl, Ottilia

2009-01-01

This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures. PMID:21170135

A simplified CARS measurement system for rapid determination of temperature and oxygen concentration

NASA Technical Reports Server (NTRS)

Fujii, Shoichi

1987-01-01

A new spectroscopic concept for the rapid determination of temperature and oxygen concentration by CARS (Coherent Anti-Stokes Raman Spectroscopy) was described. The ratio of two spectral regions in the broadband Q-branch spectrum was detected by photomultipliers in a monochromator, which ratio depends on temperature and species concentration. The comparison of the measured data with theory was made using a flat flame burner and an electric furnace, with reasonable results. Various optical techniques for alignment were introduced including a highly efficient, stable dye oscillator. The combination of the spectroscopic concept and the optical techniques will make the CARS measurement system rapid in data processing and simple in optical parts.

Aminosilane functionalizations of mesoporous oxidized silicon for oligonucleotide synthesis and detection

PubMed Central

De Stefano, Luca; Oliviero, Giorgia; Amato, Jussara; Borbone, Nicola; Piccialli, Gennaro; Mayol, Luciano; Rendina, Ivo; Terracciano, Monica; Rea, Ilaria

2013-01-01

Direct solid phase synthesis of peptides and oligonucleotides (ONs) requires high chemical stability of the support material. In this work, we have investigated the passivation ability of porous oxidized silicon multilayered structures by two aminosilane compounds, 3-aminopropyltriethoxysilane and 3-aminopropyldimethylethoxysilane (APDMES), for optical label-free ON biosensor fabrication. We have also studied by spectroscopic reflectometry the hybridization between a 13 bases ON, directly grown on the aminosilane modified porous oxidized silicon by in situ synthesis, and its complementary sequence. Even if the results show that both devices are stable to the chemicals (carbonate/methanol) used, the porous silica structure passivated by APDMES reveals higher functionalization degree due to less steric hindrance of pores. PMID:23536541

Selective detection of hyperpolarized NMR signals derived from para-hydrogen using the Only Para-hydrogen SpectroscopY (OPSY) approach.

PubMed

Aguilar, Juan A; Adams, Ralph W; Duckett, Simon B; Green, Gary G R; Kandiah, Rathika

2011-01-01

A new family of NMR pulse sequences is reported for the recording of para-hydrogen enhanced NMR spectra. This Only Para-hydrogen SpectroscopY (OPSY) approach uses coherence selection to separate hyperpolarized signals from those of fully relaxed and thermally equilibrated protons. Sequence design, performance, practical aspects and applicability to other hyperpolarization techniques are discussed. Copyright © 2010 Elsevier Inc. All rights reserved.

Real-time broadband terahertz spectroscopic imaging by using a high-sensitivity terahertz camera

NASA Astrophysics Data System (ADS)

Kanda, Natsuki; Konishi, Kuniaki; Nemoto, Natsuki; Midorikawa, Katsumi; Kuwata-Gonokami, Makoto

2017-02-01

Terahertz (THz) imaging has a strong potential for applications because many molecules have fingerprint spectra in this frequency region. Spectroscopic imaging in the THz region is a promising technique to fully exploit this characteristic. However, the performance of conventional techniques is restricted by the requirement of multidimensional scanning, which implies an image data acquisition time of several minutes. In this study, we propose and demonstrate a novel broadband THz spectroscopic imaging method that enables real-time image acquisition using a high-sensitivity THz camera. By exploiting the two-dimensionality of the detector, a broadband multi-channel spectrometer near 1 THz was constructed with a reflection type diffraction grating and a high-power THz source. To demonstrate the advantages of the developed technique, we performed molecule-specific imaging and high-speed acquisition of two-dimensional (2D) images. Two different sugar molecules (lactose and D-fructose) were identified with fingerprint spectra, and their distributions in one-dimensional space were obtained at a fast video rate (15 frames per second). Combined with the one-dimensional (1D) mechanical scanning of the sample, two-dimensional molecule-specific images can be obtained only in a few seconds. Our method can be applied in various important fields such as security and biomedicine.

Spectroscopic investigation on cocrystal formation between adenine and fumaric acid based on infrared and Raman techniques

NASA Astrophysics Data System (ADS)

Du, Yong; Fang, Hong Xia; Zhang, Qi; Zhang, Hui Li; Hong, Zhi

2016-01-01

As an important component of double-stranded DNA, adenine has powerful hydrogen-bond capability, due to rich hydrogen bond donors and acceptors existing within its molecular structure. Therefore, it is easy to form cocrystal between adenine and other small molecules with intermolecular hydrogen-bond effect. In this work, cocrystal of adenine and fumaric acid has been characterized as model system by FT-IR and FT-Raman spectral techniques. The experimental results show that the cocrystal formed between adenine and fumaric acid possesses unique spectroscopical characteristic compared with that of starting materials. Density functional theory (DFT) calculation has been performed to optimize the molecular structures and simulate vibrational modes of adenine, fumaric acid and the corresponding cocrystal. Combining the theoretical and experimental vibrational results, the characteristic bands corresponding to bending and stretching vibrations of amino and carbonyl groups within cocrystal are shifted into lower frequencies upon cocrystal formation, and the corresponding bond lengths show some increase due to the effect of intermolecular hydrogen bonding. Different vibrational modes shown in the experimental spectra have been assigned based on the simulation DFT results. The study could provide experimental and theoretical benchmarks to characterize cocrystal formed between active ingredients and cocrystal formers and also the intermolecular hydrogen-bond effect within cocrystal formation process by vibrational spectroscopic techniques.

Local 2D-2D tunneling in high mobility electron systems

NASA Astrophysics Data System (ADS)

Pelliccione, Matthew; Sciambi, Adam; Bartel, John; Goldhaber-Gordon, David; Pfeiffer, Loren; West, Ken; Lilly, Michael; Bank, Seth; Gossard, Arthur

2012-02-01

Many scanning probe techniques have been utilized in recent years to measure local properties of high mobility two-dimensional (2D) electron systems in GaAs. However, most techniques lack the ability to tunnel into the buried 2D system and measure local spectroscopic information. We report scanning gate measurements on a bilayer GaAs/AlGaAs heterostructure that allows for a local modulation of tunneling between two 2D electron layers. We call this technique Virtual Scanning Tunneling Microscopy (VSTM) [1,2] as the influence of the scanning gate is analogous to an STM tip, except at a GaAs/AlGaAs interface instead of a surface. We will discuss the spectroscopic capabilities of the technique, and show preliminary results of measurements on a high mobility 2D electron system.[1] A. Sciambi, M. Pelliccione et al., Appl. Phys. Lett. 97, 132103 (2010).[2] A. Sciambi, M. Pelliccione et al., Phys. Rev. B 84, 085301 (2011).

High resolution spectroscopic mapping imaging applied in situ to multilayer structures for stratigraphic identification of painted art objects

NASA Astrophysics Data System (ADS)

Karagiannis, Georgios Th.

2016-04-01

The development of non-destructive techniques is a reality in the field of conservation science. These techniques are usually not so accurate, as the analytical micro-sampling techniques, however, the proper development of soft-computing techniques can improve their accuracy. In this work, we propose a real-time fast acquisition spectroscopic mapping imaging system that operates from the ultraviolet to mid infrared (UV/Vis/nIR/mIR) area of the electromagnetic spectrum and it is supported by a set of soft-computing methods to identify the materials that exist in a stratigraphic structure of paint layers. Particularly, the system acquires spectra in diffuse-reflectance mode, scanning in a Region-Of-Interest (ROI), and having wavelength range from 200 up to 5000 nm. Also, a fuzzy c-means clustering algorithm, i.e., the particular soft-computing algorithm, produces the mapping images. The evaluation of the method was tested on a byzantine painted icon.

Polarization interferometry for real-time spectroscopic plasmonic sensing.

PubMed

Otto, Lauren M; Mohr, Daniel A; Johnson, Timothy W; Oh, Sang-Hyun; Lindquist, Nathan C

2015-03-07

We present quantitative, spectroscopic polarization interferometry phase measurements on plasmonic surfaces for sensing applications. By adding a liquid crystal variable wave plate in our beam path, we are able to measure phase shifts due to small refractive index changes on the sensor surface. By scanning in a quick sequence, our technique is extended to demonstrate real-time measurements. While this optical technique is applicable to different sensor geometries-e.g., nanoparticles, nanogratings, or nanoapertures-the plasmonic sensors we use here consist of an ultrasmooth gold layer with buried linear gratings. Using these devices and our phase measurement technique, we calculate a figure of merit that shows improvement over measuring only surface plasmon resonance shifts from a reflected intensity spectrum. To demonstrate the general-purpose versatility of our phase-resolved measurements, we also show numerical simulations with another common device architecture: periodic plasmonic slits. Since our technique inherently measures both the intensity and phase of the reflected or transmitted light simultaneously, quantitative sensor device characterization is possible.

Coupling spectroscopic and chromatographic techniques for evaluation of the depositional history of hydrocarbons in a subtropical estuary.

PubMed

Martins, César C; Doumer, Marta E; Gallice, Wellington C; Dauner, Ana Lúcia L; Cabral, Ana Caroline; Cardoso, Fernanda D; Dolci, Natiely N; Camargo, Luana M; Ferreira, Paulo A L; Figueira, Rubens C L; Mangrich, Antonio S

2015-10-01

Spectroscopic and chromatographic techniques can be used together to evaluate hydrocarbon inputs to coastal environments such as the Paranaguá estuarine system (PES), located in the SW Atlantic, Brazil. Historical inputs of aliphatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) were analyzed using two sediment cores from the PES. The AHs were related to the presence of biogenic organic matter and degraded oil residues. The PAHs were associated with mixed sources. The highest hydrocarbon concentrations were related to oil spills, while relatively low levels could be attributed to the decrease in oil usage during the global oil crisis. The results of electron paramagnetic resonance were in agreement with the absolute AHs and PAHs concentrations measured by chromatographic techniques, while near-infrared spectroscopy results were consistent with unresolved complex mixture (UCM)/total n-alkanes ratios. These findings suggest that the use of a combination of techniques can increase the accuracy of assessment of contamination in sediments. Copyright © 2015 Elsevier Ltd. All rights reserved.

The ALHAMBRA survey: 2D analysis of the stellar populations in massive early-type galaxies at z < 0.3

NASA Astrophysics Data System (ADS)

San Roman, I.; Cenarro, A. J.; Díaz-García, L. A.; López-Sanjuan, C.; Varela, J.; González Delgado, R. M.; Sánchez-Blázquez, P.; Alfaro, E. J.; Ascaso, B.; Bonoli, S.; Borlaff, A.; Castander, F. J.; Cerviño, M.; Fernández-Soto, A.; Márquez, I.; Masegosa, J.; Muniesa, D.; Pović, M.; Viironen, K.; Aguerri, J. A. L.; Benítez, N.; Broadhurst, T.; Cabrera-Caño, J.; Cepa, J.; Cristóbal-Hornillos, D.; Infante, L.; Martínez, V. J.; Moles, M.; del Olmo, A.; Perea, J.; Prada, F.; Quintana, J. M.

2018-01-01

We present a technique that permits the analysis of stellar population gradients in a relatively low-cost way compared to integral field unit (IFU) surveys. We developed a technique to analyze unresolved stellar populations of spatially resolved galaxies based on photometric multi-filter surveys. This technique allows the analysis of vastly larger samples and out to larger galactic radii. We derived spatially resolved stellar population properties and radial gradients by applying a centroidal Voronoi tessellation and performing a multicolor photometry spectral energy distribution fitting. This technique has been successfully applied to a sample of 29 massive (M⋆ > 1010.5M⊙) early-type galaxies at z < 0.3 from the ALHAMBRA survey. We produced detailed 2D maps of stellar population properties (age, metallicity, and extinction), which allow us to identify galactic features. Radial structures were studied, and luminosity-weighted and mass-weighted gradients were derived out to 2-3.5 Reff. We find that the spatially resolved stellar population mass, age, and metallicity are well represented by their integrated values. We find the gradients of early-type galaxies to be on average flat in age (∇log AgeL = 0.02 ± 0.06 dex/Reff) and negative in metallicity (∇[Fe/H]L = -0.09 ± 0.06 dex/Reff). Overall,the extinction gradients are flat (∇Av = -0.03 ± 0.09 mag/Reff ) with a wide spread. These results are in agreement with previous studies that used standard long-slit spectroscopy, and with the most recent IFU studies. According to recent simulations, these results are consistent with a scenario where early-type galaxies were formed through major mergers and where their final gradients are driven by the older ages and higher metallicity of the accreted systems. We demonstrate the scientific potential of multi-filter photometry to explore the spatially resolved stellar populations of local galaxies and confirm previous spectroscopic trends from a complementary technique. Based on observations collected at the German-Spanish Astronomical Center, Calar Alto, jointly operated by the Max-Planck-Institut für Astronomie (MPIA) at Heidelberg and the Instituto de Astrofísica de Andalucía (CSIC).

Spectro-refractometry of individual microscopic objects using swept-source quantitative phase imaging.

PubMed

Jung, Jae-Hwang; Jang, Jaeduck; Park, Yongkeun

2013-11-05

We present a novel spectroscopic quantitative phase imaging technique with a wavelength swept-source, referred to as swept-source diffraction phase microscopy (ssDPM), for quantifying the optical dispersion of microscopic individual samples. Employing the swept-source and the principle of common-path interferometry, ssDPM measures the multispectral full-field quantitative phase imaging and spectroscopic microrefractometry of transparent microscopic samples in the visible spectrum with a wavelength range of 450-750 nm and a spectral resolution of less than 8 nm. With unprecedented precision and sensitivity, we demonstrate the quantitative spectroscopic microrefractometry of individual polystyrene beads, 30% bovine serum albumin solution, and healthy human red blood cells.

Time to Talk: 5 Things to Know about Sleep Disorders and Complementary Health Approaches

MedlinePlus

... health approaches. Relaxation techniques may be helpful for insomnia. Evidence indicates that using relaxation techniques before bedtime ... supplements may be helpful for some people with insomnia or sleep problems caused by shift work or ...

Using non-invasive molecular spectroscopic techniques to detect unique aspects of protein Amide functional groups and chemical properties of modeled forage from different sourced-origins.

PubMed

Ji, Cuiying; Zhang, Xuewei; Yu, Peiqiang

2016-03-05

The non-invasive molecular spectroscopic technique-FT/IR is capable to detect the molecular structure spectral features that are associated with biological, nutritional and biodegradation functions. However, to date, few researches have been conducted to use these non-invasive molecular spectroscopic techniques to study forage internal protein structures associated with biodegradation and biological functions. The objectives of this study were to detect unique aspects and association of protein Amide functional groups in terms of protein Amide I and II spectral profiles and chemical properties in the alfalfa forage (Medicago sativa L.) from different sourced-origins. In this study, alfalfa hay with two different origins was used as modeled forage for molecular structure and chemical property study. In each forage origin, five to seven sources were analyzed. The molecular spectral profiles were determined using FT/IR non-invasive molecular spectroscopy. The parameters of protein spectral profiles included functional groups of Amide I, Amide II and Amide I to II ratio. The results show that the modeled forage Amide I and Amide II were centered at 1653 cm(-1) and 1545 cm(-1), respectively. The Amide I spectral height and area intensities were from 0.02 to 0.03 and 2.67 to 3.36 AI, respectively. The Amide II spectral height and area intensities were from 0.01 to 0.02 and 0.71 to 0.93 AI, respectively. The Amide I to II spectral peak height and area ratios were from 1.86 to 1.88 and 3.68 to 3.79, respectively. Our results show that the non-invasive molecular spectroscopic techniques are capable to detect forage internal protein structure features which are associated with forage chemical properties. Copyright © 2015 Elsevier B.V. All rights reserved.

Complementary Feeding Knowledge, Practices, and Dietary Diversity among Mothers of Under-Five Children in an Urban Community in Lagos State, Nigeria

PubMed Central

Olatona, Foluke Adenike; Adenihun, Jesupelumi Oreoluwa; Aderibigbe, Sunday Adedeji; Adeniyi, Oluwafunmilayo Funke

2017-01-01

Background and Objectives: Inappropriate complementary feeding is a major cause of child malnutrition and death. This study determined the complementary feeding knowledge, practices, minimum dietary diversity, and acceptable diet among mothers of under-five children in an urban Local Government Area of Lagos State, Southwest Nigeria. Methods: This descriptive cross-sectional study was conducted in Eti-Osa area of Lagos State, Nigeria. Multi-stage sampling technique was employed to select 355 mothers and infants. Data was collected using a pre-tested interviewer administered questionnaire and 24-hour diet recall was used to assess dietary diversity. Data was analyzed using Epi-Info. Results: Knowledge of complementary feeding was low (14.9%) and was associated with older mothers’ age, being married, and higher level of education. The prevalence of timely initiation of complementary feeding (47.9%), dietary diversity (16.0%) and minimum acceptable diet for children between 6 and 9 months (16%) were low. Overall, appropriate complementary feeding practice was low (47.0%) and associated with higher level of mothers’ education and occupation. Conclusions and Global Health Implications: Complementary feeding knowledge and practices were poor among mothers of under-5 especially the non-literate. Reduction of child malnutrition through appropriate complementary feeding remains an important global health goal. Complementary feeding education targeting behavioral change especially among young, single and uneducated mothers in developing countries is important to reduce child morbidity and mortality. PMID:28798893

The Gaia scientific exploitation networks

NASA Astrophysics Data System (ADS)

Figueras, F.; Jordi, C.

2015-05-01

On July 2014 the Gaia satellite, placed at L2 since January 2014, finished their commissioning phase and started collecting high accurate scientific data. New and more realistic estimations of the astrometric, photometric and spectroscopic accuracy expected after five years mission operation (2014-2019) have been recently published in the Gaia Science Performance Web page. Here we present the coordination efforts and the activities being conducted through the two GREAT (Gaia Research for European Astronomy Training) European Networks, the GREAT-ESF, a programme supported by the European Science Foundation (2010-2015), and the GREAT-ITN network, from the European Union's Seventh Framework Programme (2011-2015). The main research theme of these networks is to unravel the origin and history of our home galaxy. Emphasis is placed on the research projects being conducted by the Spanish Researchers through these networks, well coordinated by the Red Española de Explotación Científica de Gaia (REG network, with more than 140 participants). Members of the REG play an important role on the collection of complementary spectroscopic data from ground based telescopes, on the development of new tools for an optimal scientific exploitation of Gaia data and on the preparation task to create the Gaia archive.

Raman spectroscopic imaging as complementary tool for histopathologic assessment of brain tumors

NASA Astrophysics Data System (ADS)

Krafft, Christoph; Bergner, Norbert; Romeike, Bernd; Reichart, Rupert; Kalff, Rolf; Geiger, Kathrin; Kirsch, Matthias; Schackert, Gabriele; Popp, Jürgen

2012-02-01

Raman spectroscopy enables label-free assessment of brain tissues and tumors based on their biochemical composition. Combination of the Raman spectra with the lateral information allows grading of tumors, determining the primary tumor of brain metastases and delineating tumor margins - even during surgery after coupling with fiber optic probes. This contribution presents exemplary Raman spectra and images collected from low grade and high grade regions of astrocytic gliomas and brain metastases. A region of interest in dried tissue sections encompassed slightly increased cell density. Spectral unmixing by vertex component analysis (VCA) and N-FINDR resolved cell nuclei in score plots and revealed the spectral contributions of nucleic acids, cholesterol, cholesterol ester and proteins in endmember signatures. The results correlated with the histopathological analysis after staining the specimens by hematoxylin and eosin. For a region of interest in non-dried, buffer immersed tissue sections image processing was not affected by drying artifacts such as denaturation of biomolecules and crystallization of cholesterol. Consequently, the results correspond better to in vivo situations. Raman spectroscopic imaging of a brain metastases from renal cell carcinoma showed an endmember with spectral contributions of glycogen which can be considered as a marker for this primary tumor.

Physics and evolution of obscured X-ray sources: a multiwavelength approach

NASA Astrophysics Data System (ADS)

Brusa, Marcella

2004-06-01

Observations at high energies yield important information on the structure and nature of AGN; when coupled with deep optical and near-infrared (photometric and spectroscopic) follow-up, they provide constraints on the mass of the growing black holes and, therefore, are essential to better understand the nature of the various components of the X-ray background light and can be used as test for the accretion paradigm. Conversely, optical and near-infrared surveys of galaxies are crucial to discriminate between different cosmological scenarios (e.g. hierarchical or monolithic growth of the structures) and, thus, to recover the galaxy evolution path. In this framework, in the first part of the thesis, I will discuss the main results from an extensive program of multiwavelength observations of hard X-ray selected sources serendipitously discovered in XMM-Newton fields over ~1 deg^2 (the HELLAS2XMM survey). With a complementary approach to that of hard X-ray surveys, in order to investigate the link between nuclear activity and the galaxy formation, in the second part of the thesis I will present XMM-Newton and Chandra observations of photometric and spectroscopically selected Extremely Red Objects (EROs).

Surface-enhanced FAST CARS: en route to quantum nano-biophotonics

NASA Astrophysics Data System (ADS)

Voronine, Dmitri V.; Zhang, Zhenrong; Sokolov, Alexei V.; Scully, Marlan O.

2018-02-01

Quantum nano-biophotonics as the science of nanoscale light-matter interactions in biological systems requires developing new spectroscopic tools for addressing the challenges of detecting and disentangling weak congested optical signals. Nanoscale bio-imaging addresses the challenge of the detection of weak resonant signals from a few target biomolecules in the presence of the nonresonant background from many undesired molecules. In addition, the imaging must be performed rapidly to capture the dynamics of biological processes in living cells and tissues. Label-free non-invasive spectroscopic techniques are required to minimize the external perturbation effects on biological systems. Various approaches were developed to satisfy these requirements by increasing the selectivity and sensitivity of biomolecular detection. Coherent anti-Stokes Raman scattering (CARS) and surface-enhanced Raman scattering (SERS) spectroscopies provide many orders of magnitude enhancement of chemically specific Raman signals. Femtosecond adaptive spectroscopic techniques for CARS (FAST CARS) were developed to suppress the nonresonant background and optimize the efficiency of the coherent optical signals. This perspective focuses on the application of these techniques to nanoscale bio-imaging, discussing their advantages and limitations as well as the promising opportunities and challenges of the combined coherence and surface enhancements in surface-enhanced coherent anti-Stokes Raman scattering (SECARS) and tip-enhanced coherent anti-Stokes Raman scattering (TECARS) and the corresponding surface-enhanced FAST CARS techniques. Laser pulse shaping of near-field excitations plays an important role in achieving these goals and increasing the signal enhancement.

Nonlinear X-Ray and Auger Spectroscopy at X-Ray Free-Electron Laser Sources

NASA Astrophysics Data System (ADS)

Rohringer, Nina

2015-05-01

X-ray free-electron lasers (XFELs) open the pathway to transfer non-linear spectroscopic techniques to the x-ray domain. A promising all x-ray pump probe technique is based on coherent stimulated electronic x-ray Raman scattering, which was recently demonstrated in atomic neon. By tuning the XFEL pulse to core-excited resonances, a few seed photons in the spectral tail of the XFEL pulse drive an avalanche of resonant inelastic x-ray scattering events, resulting in exponential amplification of the scattering signal by of 6-7 orders of magnitude. Analysis of the line profile of the emitted radiation permits to demonstrate the cross over from amplified spontaneous emission to coherent stimulated resonance scattering. In combination with statistical covariance mapping, a high-resolution spectrum of the resonant inelastic scattering process can be obtained, opening the path to coherent stimulated x-ray Raman spectroscopy. An extension of these ideas to molecules and a realistic feasibility study of stimulated electronic x-ray Raman scattering in CO will be presented. Challenges to realizing stimulated electronic x-ray Raman scattering at present-day XFEL sources will be discussed, corroborated by results of a recent experiment at the LCLS XFEL. Due to the small gain cross section in molecular targets, other nonlinear spectroscopic techniques such as nonlinear Auger spectroscopy could become a powerful alternative. Theory predictions of a novel pump probe technique based on resonant nonlinear Auger spectroscopic will be discussed and the method will be compared to stimulated x-ray Raman spectroscopy.

Combining in situ characterization methods in one set-up: looking with more eyes into the intricate chemistry of the synthesis and working of heterogeneous catalysts.

PubMed

Bentrup, Ursula

2010-12-01

Several in situ techniques are known which allow investigations of catalysts and catalytic reactions under real reaction conditions using different spectroscopic and X-ray methods. In recent years, specific set-ups have been established which combine two or more in situ methods in order to get a more detailed understanding of catalytic systems. This tutorial review will give a summary of currently available set-ups equipped with multiple techniques for in situ catalyst characterization, catalyst preparation, and reaction monitoring. Besides experimental and technical aspects of method coupling including X-ray techniques, spectroscopic methods (Raman, UV-vis, FTIR), and magnetic resonance spectroscopies (NMR, EPR), essential results will be presented to demonstrate the added value of multitechnique in situ approaches. A special section is focussed on selected examples of use which show new developments and application fields.

Explaining the Cyclic Voltammetry of a Poly(1,4-phenylene-ethynylene)-alt-poly(1,4-phenylene-vinylene) Copolymer upon Oxidation by using Spectroscopic Techniques.

PubMed

Enengl, Christina; Enengl, Sandra; Bouguerra, Nassima; Havlicek, Marek; Neugebauer, Helmut; Egbe, Daniel A M

2017-01-04

Poly(1,4-phenylene-ethynylene)-alt-poly(1,4-phenylene-vinylene) (PPE-PPV) copolymers have attracted quite a lot of attention in the last few years for electronic device applications owing to their enhanced fluorescence. In this work, we focus on one particular PPE-PPV copolymer with dissymmetrically substituted 1,4-phenylene-ethynylene and symmetrically substituted 1,4-phenylene-vinylene building units. Six successively performed cyclic voltammograms are presented, measured during the oxidation reactions. As the oxidation onset of the electrochemical reaction shifts to lower potentials in each cycle, this behavior is elucidated by using spectroscopic techniques ranging from UV/Vis/near-IR to mid-IR including spin-resonance techniques. Hence, these findings help to explain some of the copolymer's most advantageous properties in terms of possible oxidation products. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Beyond simple small-angle X-ray scattering: developments in online complementary techniques and sample environments.

PubMed

Bras, Wim; Koizumi, Satoshi; Terrill, Nicholas J

2014-11-01

Small- and wide-angle X-ray scattering (SAXS, WAXS) are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via either simultaneous or independent measurements, has advanced understanding of the driving forces that lead to the structures and morphologies of materials, which in turn give rise to their properties. The simultaneous measurement of different data regimes and types, using either X-rays or neutrons, and the desire to control parameters that initiate and control structural changes have led to greater demands on sample environments. Examples of developments in technique combinations and sample environment design are discussed, together with a brief speculation about promising future developments.

Beyond simple small-angle X-ray scattering: developments in online complementary techniques and sample environments

PubMed Central

Bras, Wim; Koizumi, Satoshi; Terrill, Nicholas J

2014-01-01

Small- and wide-angle X-ray scattering (SAXS, WAXS) are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via either simultaneous or independent measurements, has advanced understanding of the driving forces that lead to the structures and morphologies of materials, which in turn give rise to their properties. The simultaneous measurement of different data regimes and types, using either X-rays or neutrons, and the desire to control parameters that initiate and control structural changes have led to greater demands on sample environments. Examples of developments in technique combinations and sample environment design are discussed, together with a brief speculation about promising future developments. PMID:25485128

Plasma spectroscopy analysis technique based on optimization algorithms and spectral synthesis for arc-welding quality assurance.

PubMed

Mirapeix, J; Cobo, A; González, D A; López-Higuera, J M

2007-02-19

A new plasma spectroscopy analysis technique based on the generation of synthetic spectra by means of optimization processes is presented in this paper. The technique has been developed for its application in arc-welding quality assurance. The new approach has been checked through several experimental tests, yielding results in reasonably good agreement with the ones offered by the traditional spectroscopic analysis technique.

X-ray spectroscopic diagnostics and modeling of polar-drive implosion experiments on the National Ignition Facility

NASA Astrophysics Data System (ADS)

Hakel, P.; Kyrala, G. A.; Bradley, P. A.; Krasheninnikova, N. S.; Murphy, T. J.; Schmitt, M. J.; Tregillis, I. L.; Kanzleieter, R. J.; Batha, S. H.; Fontes, C. J.; Sherrill, M. E.; Kilcrease, D. P.; Regan, S. P.

2014-06-01

A series of experiments featuring laser-imploded plastic-shell targets filled with hydrogen or deuterium were performed on the National Ignition Facility. The shells (some deuterated) were doped in selected locations with Cu, Ga, and Ge, whose spectroscopic signals (indicative of local plasma conditions) were collected with a time-integrated, 1-D imaging, spectrally resolved, and absolute-intensity calibrated instrument. The experimental spectra compare well with radiation hydrodynamics simulations post-processed with a non-local thermal equilibrium atomic kinetics and spectroscopic-quality radiation-transport model. The obtained degree of agreement between the modeling and experimental data supports the application of spectroscopic techniques for the determination of plasma conditions, which can ultimately lead to the validation of theoretical models for thermonuclear burn in the presence of mix. Furthermore, the use of a lower-Z dopant element (e.g., Fe) is suggested for future experiments, since the ˜2 keV electron temperatures reached in mixed regions are not high enough to drive sufficient H-like Ge and Cu line emissions needed for spectroscopic plasma diagnostics.

Accelerated echo-planar J-resolved spectroscopic imaging in the human brain using compressed sensing: a pilot validation in obstructive sleep apnea.

PubMed

Sarma, M K; Nagarajan, R; Macey, P M; Kumar, R; Villablanca, J P; Furuyama, J; Thomas, M A

2014-06-01

Echo-planar J-resolved spectroscopic imaging is a fast spectroscopic technique to record the biochemical information in multiple regions of the brain, but for clinical applications, time is still a constraint. Investigations of neural injury in obstructive sleep apnea have revealed structural changes in the brain, but determining the neurochemical changes requires more detailed measurements across multiple brain regions, demonstrating a need for faster echo-planar J-resolved spectroscopic imaging. Hence, we have extended the compressed sensing reconstruction of prospectively undersampled 4D echo-planar J-resolved spectroscopic imaging to investigate metabolic changes in multiple brain locations of patients with obstructive sleep apnea and healthy controls. Nonuniform undersampling was imposed along 1 spatial and 1 spectral dimension of 4D echo-planar J-resolved spectroscopic imaging, and test-retest reliability of the compressed sensing reconstruction of the nonuniform undersampling data was tested by using a brain phantom. In addition, 9 patients with obstructive sleep apnea and 11 healthy controls were investigated by using a 3T MR imaging/MR spectroscopy scanner. Significantly reduced metabolite differences were observed between patients with obstructive sleep apnea and healthy controls in multiple brain regions: NAA/Cr in the left hippocampus; total Cho/Cr and Glx/Cr in the right hippocampus; total NAA/Cr, taurine/Cr, scyllo-Inositol/Cr, phosphocholine/Cr, and total Cho/Cr in the occipital gray matter; total NAA/Cr and NAA/Cr in the medial frontal white matter; and taurine/Cr and total Cho/Cr in the left frontal white matter regions. The 4D echo-planar J-resolved spectroscopic imaging technique using the nonuniform undersampling-based acquisition and compressed sensing reconstruction in patients with obstructive sleep apnea and healthy brain is feasible in a clinically suitable time. In addition to brain metabolite changes previously reported by 1D MR spectroscopy, our results show changes of additional metabolites in patients with obstructive sleep apnea compared with healthy controls. © 2014 by American Journal of Neuroradiology.

Non-Gaussian shape discrimination with spectroscopic galaxy surveys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Byun, Joyce; Bean, Rachel, E-mail: byun@astro.cornell.edu, E-mail: rbean@astro.cornell.edu

2015-03-01

We consider how galaxy clustering data, from Mpc to Gpc scales, from upcoming large scale structure surveys, such as Euclid and DESI, can provide discriminating information about the bispectrum shape arising from a variety of inflationary scenarios. Through exploring in detail the weighting of shape properties in the calculation of the halo bias and halo mass function we show how they probe a broad range of configurations, beyond those in the squeezed limit, that can help distinguish between shapes with similar large scale bias behaviors. We assess the impact, on constraints for a diverse set of non-Gaussian shapes, of galaxymore » clustering information in the mildly non-linear regime, and surveys that span multiple redshifts and employ different galactic tracers of the dark matter distribution. Fisher forecasts are presented for a Euclid-like spectroscopic survey of Hα-selected emission line galaxies (ELGs), and a DESI-like survey, of luminous red galaxies (LRGs) and [O-II] doublet-selected ELGs, in combination with Planck-like CMB temperature and polarization data.While ELG samples provide better probes of shapes that are divergent in the squeezed limit, LRG constraints, centered below z<1, yield stronger constraints on shapes with scale-independent large-scale halo biases, such as the equilateral template. The ELG and LRG samples provide complementary degeneracy directions for distinguishing between different shapes. For Hα-selected galaxies, we note that recent revisions of the expected Hα luminosity function reduce the halo bias constraints on the local shape, relative to the CMB. For galaxy clustering constraints to be comparable to those from the CMB, additional information about the Gaussian galaxy bias is needed, such as can be determined from the galaxy clustering bispectrum or probing the halo power spectrum directly through weak lensing. If the Gaussian galaxy bias is constrained to better than a percent level then the LSS and CMB data could provide complementary constraints that will enable differentiation of bispectrum with distinct theoretical origins but with similar large scale, squeezed-limit properties.« less

Electron transfer of plurimodified DNA SAMs.

PubMed

Rospigliosi, Alessandro; Ehlich, Rudolf; Hoerber, Heinrich; Middelberg, Anton; Moggridge, Geoff

2007-07-17

An STM-based current-voltage (I/V) investigation of deoxyribonucleic acid (DNA) 18 base pair (bp) oligonucleotide monolayers on gold is presented. Three bases of each of the immobilized and complementary strands were modified with either iodine or phenylethylene moieties. The oligonucleotides were immobilized on template stripped gold (tsg) surfaces and characterized by atomic force microscopy (AFM) and scanning tunneling microscopy (STM). AFM imaging showed that monolayers of the expected height were formed. A comparative study of normal, halogenated, and phenyl-modified DNA was made with the STM in tunneling spectroscopy (TS) mode. I/V spectroscopic measurements in the range +/-250 mV on both single- and double-stranded (ds) DNA monolayers (modified and unmodified) showed that for negative substrate bias (U(sub)) electron transfer is more efficient through a phenyl-modified monolayer than through normal or halogenated DNA. This effect was particularly clear below a threshold bias of -100 mV. For positive U(sub), unmodified ds DNA was found to conduct slightly better than the modified strands. This is presumably caused by greater order in the unmodified versus modified DNA monolayers. Modifications on the immobilized (thiolated) strand seem to improve electron transport through the DNA monolayer more than modifications on the complementary (not surface-bound) strand.

A correlation between the defect states and yellow luminescence in AlGaN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Jana, Dipankar; Sharma, T. K.

2017-07-01

AlGaN/GaN heterostructures are investigated by performing complementary spectroscopic measurements under novel experimental configurations. Distinct features related to the band edge of AlGaN and GaN layers are clearly observed in surface photovoltage spectroscopy (SPS) spectra. A few more SPS features, which are associated with defects in GaN, are also identified by performing the pump-probe SPS measurements. SPS results are strongly corroborated by the complementary photoluminescence and photoluminescence excitation (PLE) measurements. A correlation between the defect assisted SPS features and yellow luminescence (YL) peak is established by performing pump-probe SPS and PLE measurements. It is found that CN-ON donor complex is responsible for the generation of YL peak in our sample. Further, the deep trap states are found to be present throughout the entire GaN epilayer. It is also noticed that the deep trap states lying at the GaN/Fe-GaN interface make a strong contribution to the YL feature. A phenomenological model is proposed to explain the intensity dependence of the YL feature and the corresponding SPS features in a pump-probe configuration, where a reasonable agreement between the numerical simulations and experimental results is achieved.

GC/HRSIR as a Complementary Technique to GC/ECNIMS

EPA Science Inventory

Gas chromatography/electron capture negative ion mass spectrometry (GC/ECNIMS) is a highly selective and sensitive technique for the analysis of appropriate analytes in complex matrices. Its major drawback is often the lack of fragmentation indicative of structure that can be use...

Application of Pulse Radiolysis to Mechanistic Investigations of Catalysis Relevant to Artificial Photosynthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fujita, Etsuko; Grills, David C.; Polyansky, Dmitry E.

Taking inspiration from natural photosystems, the goal of artificial photosynthesis is to harness solar energy to convert abundant materials, such as CO 2 and H 2O, into solar fuels. Catalysts are required to ensure that the necessary redox half-reactions proceed in the most energy-efficient manner. It is thus critical to gain a detailed mechanistic understanding of these catalytic reactions in order to develop new and improved catalysts. Many of the key catalytic intermediates are short-lived transient species, requiring time-resolved spectroscopic techniques for their observation. The two main methods for rapidly generating such species on the sub-microsecond timescale are laser flashmore » photolysis and pulse radiolysis. These methods complement one another, and both can provide important spectroscopic and kinetic information. However, pulse radiolysis proves to be superior in systems with significant spectroscopic overlap between photosensitizer and other species present during the reaction. In this paper, we review the pulse radiolysis technique and how it has been applied to mechanistic investigations of half-reactions relevant to artificial photosynthesis.« less

Application of Pulse Radiolysis to Mechanistic Investigations of Catalysis Relevant to Artificial Photosynthesis

DOE PAGES

Fujita, Etsuko; Grills, David C.; Polyansky, Dmitry E.

2017-09-12

Taking inspiration from natural photosystems, the goal of artificial photosynthesis is to harness solar energy to convert abundant materials, such as CO 2 and H 2O, into solar fuels. Catalysts are required to ensure that the necessary redox half-reactions proceed in the most energy-efficient manner. It is thus critical to gain a detailed mechanistic understanding of these catalytic reactions in order to develop new and improved catalysts. Many of the key catalytic intermediates are short-lived transient species, requiring time-resolved spectroscopic techniques for their observation. The two main methods for rapidly generating such species on the sub-microsecond timescale are laser flashmore » photolysis and pulse radiolysis. These methods complement one another, and both can provide important spectroscopic and kinetic information. However, pulse radiolysis proves to be superior in systems with significant spectroscopic overlap between photosensitizer and other species present during the reaction. In this paper, we review the pulse radiolysis technique and how it has been applied to mechanistic investigations of half-reactions relevant to artificial photosynthesis.« less

The identification of post-starburst galaxies at z ˜ 1 using multiwavelength photometry: a spectroscopic verification

NASA Astrophysics Data System (ADS)

Maltby, David T.; Almaini, Omar; Wild, Vivienne; Hatch, Nina A.; Hartley, William G.; Simpson, Chris; McLure, Ross J.; Dunlop, James; Rowlands, Kate; Cirasuolo, Michele

2016-06-01

Despite decades of study, we still do not fully understand why some massive galaxies abruptly switch off their star formation in the early Universe, and what causes their rapid transition to the red sequence. Post-starburst galaxies provide a rare opportunity to study this transition phase, but few have currently been spectroscopically identified at high redshift (z > 1). In this paper, we present the spectroscopic verification of a new photometric technique to identify post-starbursts in high-redshift surveys. The method classifies the broad-band optical-near-infrared spectral energy distributions (SEDs) of galaxies using three spectral shape parameters (supercolours), derived from a principal component analysis of model SEDs. When applied to the multiwavelength photometric data in the UKIDSS Ultra Deep Survey, this technique identified over 900 candidate post-starbursts at redshifts 0.5 < z < 2.0. In this study, we present deep optical spectroscopy for a subset of these galaxies, in order to confirm their post-starburst nature. Where a spectroscopic assessment was possible, we find the majority (19/24 galaxies; ˜80 per cent) exhibit the strong Balmer absorption (H δ equivalent width Wλ > 5 Å) and Balmer break, characteristic of post-starburst galaxies. We conclude that photometric methods can be used to select large samples of recently-quenched galaxies in the distant Universe.

Dielectric studies of boron sub phthalocyanine chloride thin films by admittance spectroscopic techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalia, Sameer; Neerja; Mahajan, Aman, E-mail: dramanmahajan@yahoo.co.in

The dielectric properties of Boron Sub Phthalocyanine Chloride (Cl-SubPc) thermally deposited on ITO substrate have been studied using admittance spectroscopic techniques. The I-V and capacitance –frequency (C-F) studies at various bias voltages reveal that the mobility of charge carriers decrease with bias voltage, however the conduction phenomenon still remain hopping in nature. From the differential susceptance curve, the contribution of the Schottky barrier contact in the charge carrier concentration was found to be absent. The mobility of charge carriers have been determined using differential susceptance variation and from the phase of admittance curve. The values obtained in two cases havemore » been found to be in agreement with each other.« less

Effects of environmental conditions on the ultrafast carrier dynamics in graphene revealed by terahertz spectroscopy

NASA Astrophysics Data System (ADS)

Hafez, H. A.; Chai, X.; Sekine, Y.; Takamura, M.; Oguri, K.; Al-Naib, I.; Dignam, M. M.; Hibino, H.; Ozaki, T.

2017-04-01

A thorough understanding of the stability of graphene under ambient environmental conditions is essential for future graphene-based applications. In this paper, we study the effects of ambient temperature on the properties of monolayer graphene using terahertz time-domain spectroscopy as well as time-resolved terahertz spectroscopy enabled by an optical-pump/terahertz-probe technique. The observations show that graphene is extremely sensitive to the ambient environmental conditions and behaves differently depending on the sample preparation technique and the initial Fermi level. The analysis of the spectroscopic data is supported by van der Pauw and Hall effect measurements of the carrier mobility and carrier density at temperatures comparable to those tested in our THz spectroscopic experiments.

Quantitative analysis of terahertz spectra for illicit drugs using adaptive-range micro-genetic algorithm

NASA Astrophysics Data System (ADS)

Chen, Yi; Ma, Yong; Lu, Zheng; Peng, Bei; Chen, Qin

2011-08-01

In the field of anti-illicit drug applications, many suspicious mixture samples might consist of various drug components—for example, a mixture of methamphetamine, heroin, and amoxicillin—which makes spectral identification very difficult. A terahertz spectroscopic quantitative analysis method using an adaptive range micro-genetic algorithm with a variable internal population (ARVIPɛμGA) has been proposed. Five mixture cases are discussed using ARVIPɛμGA driven quantitative terahertz spectroscopic analysis in this paper. The devised simulation results show agreement with the previous experimental results, which suggested that the proposed technique has potential applications for terahertz spectral identifications of drug mixture components. The results show agreement with the results obtained using other experimental and numerical techniques.

Berkeley Supernova Ia Program - I. Observations, data reduction and spectroscopic sample of 582 low-redshift Type Ia supernovae

NASA Astrophysics Data System (ADS)

Silverman, Jeffrey M.; Foley, Ryan J.; Filippenko, Alexei V.; Ganeshalingam, Mohan; Barth, Aaron J.; Chornock, Ryan; Griffith, Christopher V.; Kong, Jason J.; Lee, Nicholas; Leonard, Douglas C.; Matheson, Thomas; Miller, Emily G.; Steele, Thea N.; Barris, Brian J.; Bloom, Joshua S.; Cobb, Bethany E.; Coil, Alison L.; Desroches, Louis-Benoit; Gates, Elinor L.; Ho, Luis C.; Jha, Saurabh W.; Kandrashoff, Michael T.; Li, Weidong; Mandel, Kaisey S.; Modjaz, Maryam; Moore, Matthew R.; Mostardi, Robin E.; Papenkova, Marina S.; Park, Sung; Perley, Daniel A.; Poznanski, Dovi; Reuter, Cassie A.; Scala, James; Serduke, Franklin J. D.; Shields, Joseph C.; Swift, Brandon J.; Tonry, John L.; Van Dyk, Schuyler D.; Wang, Xiaofeng; Wong, Diane S.

2012-09-01

In this first paper in a series, we present 1298 low-redshift (z ≲ 0.2) optical spectra of 582 Type Ia supernovae (SNe Ia) observed from 1989 to 2008 as part of the Berkeley Supernova Ia Program (BSNIP). 584 spectra of 199 SNe Ia have well-calibrated light curves with measured distance moduli, and many of the spectra have been corrected for host-galaxy contamination. Most of the data were obtained using the Kast double spectrograph mounted on the Shane 3 m telescope at Lick Observatory and have a typical wavelength range of 3300-10 400 Å, roughly twice as wide as spectra from most previously published data sets. We present our observing and reduction procedures, and we describe the resulting SN Database, which will be an online, public, searchable data base containing all of our fully reduced spectra and companion photometry. In addition, we discuss our spectral classification scheme (using the SuperNova IDentification code, SNID; Blondin & Tonry), utilizing our newly constructed set of SNID spectral templates. These templates allow us to accurately classify our entire data set, and by doing so we are able to reclassify a handful of objects as bona fide SNe Ia and a few other objects as members of some of the peculiar SN Ia subtypes. In fact, our data set includes spectra of nearly 90 spectroscopically peculiar SNe Ia. We also present spectroscopic host-galaxy redshifts of some SNe Ia where these values were previously unknown. The sheer size of the BSNIP data set and the consistency of our observation and reduction methods make this sample unique among all other published SN Ia data sets and complementary in many ways to the large, low-redshift SN Ia spectra presented by Matheson et al. and Blondin et al. In other BSNIP papers in this series, we use these data to examine the relationships between spectroscopic characteristics and various observables such as photometric and host-galaxy properties.

In Situ Techniques for Monitoring Electrochromism: An Advanced Laboratory Experiment

ERIC Educational Resources Information Center

Saricayir, Hakan; Uce, Musa; Koca, Atif

2010-01-01

This experiment employs current technology to enhance and extend existing lab content. The basic principles of spectroscopic and electroanalytical techniques and their use in determining material properties are covered in some detail in many undergraduate chemistry programs. However, there are limited examples of laboratory experiments with in…

Raman, AFM and SNOM high resolution imaging of carotene crystals in a model carrot cell system.

PubMed

Rygula, Anna; Oleszkiewicz, Tomasz; Grzebelus, Ewa; Pacia, Marta Z; Baranska, Malgorzata; Baranski, Rafal

2018-05-15

Three non-destructive and complementary techniques, Raman imaging, Atomic Force Microscopy and Scanning Near-field Optical Microscopy were used simultaneously to show for the first time chemical and structural differences of carotenoid crystals. Spectroscopic and microscopic scanning probe measurements were applied to the released crystals or to crystals accumulated in a unique, carotenoids rich callus tissue growing in vitro that is considered as a new model system for plant carotenoid research. Three distinct morphological crystal types of various carotenoid composition were identified, a needle-like, rhomboidal and helical. Raman imaging using 532 and 488 nm excitation lines provided evidence that the needle-like and rhomboidal crystals had similar carotenoid composition and that they were composed mainly of β-carotene accompanied by α-carotene. However, the presence of α-carotene was not identified in the helical crystals, which had the characteristic spatial structure. AFM measurements of crystals identified by Raman imaging revealed the crystal topography and showed the needle-like and rhomboidal crystals were planar but they differed in all three dimensions. Combining SNOM and Raman imaging enabled indication of carotenoid rich structures and visualised their distribution in the cell. The morphology of identified subcellular structures was characteristic for crystalline, membraneous and tubular chromoplasts that are plant organelles responsible for carotenoid accumulation in cells. Copyright © 2018 Elsevier B.V. All rights reserved.

Multispectral detection of cutaneous lesions using spectroscopy and microscopy approaches

NASA Astrophysics Data System (ADS)

Borisova, E.; Genova-Hristova, Ts.; Troyanova, P.; Pavlova, E.; Terziev, I.; Semyachkina-Glushkovskaya, O.; Lomova, M.; Genina, E.; Stanciu, G.; Tranca, D.; Avramov, L.

2018-02-01

Autofluorescence, diffuse-reflectance and transmission spectral, and microscopic measurements were made on different cutaneous neoplastic lesions, namely basal cell carcinoma, squamous cell carcinoma, malignant melanoma, and dysplastic and benign lesions related. Spectroscopic measurements were made on ex vivo tissue samples, and confocal microscopy investigations were made on thin tissue slices. Fluorescence spectra obtained reveal statistically significant differences between the different benign, dysplastic and malignant lesions by the level of emission intensity, as well by spectral shape, which are fingerprints applicable for differentiation algorithms. In reflectance mode the most significant differences are related to the influence of skin pigments - melanin and hemoglobin. Transmission spectroscopy mode gave complementary optical properties information about the tissue samples investigated to that one of reflectance and absorption spectroscopy. Using autofluorescence detection of skin lesions we obtain very good diagnostic performance for distinguishing of nonmelanoma lesions. Using diffuse reflectance and transmission spectroscopy we obtain significant tool for pigmented pathologies differentiation, but it is a tool with moderate sensitivity for non-melanoma lesions detection. One could rapidly increase the diagnostic accuracy of the received combined "optical biopsy" method when several spectral detection techniques are applied in common algorithm for lesions' differentiation. Specific spectral features observed in each type of lesion investigated on micro and macro level would be presented and discussed. Correlation between the spectral data received and the microscopic features observed would be discussed in the report.

1,7-Bis-(N,N-dialkylamino)perylene Bisimides: Facile Synthesis and Characterization as Near-Infrared Fluorescent Dyes

PubMed Central

Chen, Kew-Yu; Chang, Che-Wei

2014-01-01

Three symmetric alkylamino-substituted perylene bisimides with different n-alkyl chain lengths (n = 6, 12, or 18), 1,7-bis-(N,N-dialkylamino)perylene bisimides (1a–1c), were synthesized under mild condition and were characterized by 1H NMR, 13C NMR and high resolution mass spectroscopy. Their optical and electrochemical properties were measured using UV-Vis and emission spectroscopic techniques as well as cyclic voltammetry (CV). These compounds show deep green color in both solution and solid state, and are highly soluble in dichloromethane and even in nonpolar solvents such as hexane. The shapes of the absorption spectra of 1a–1c in the solution and solid state were found to be almost the same, indicating that the long alkyl chains could efficiently prevent intermolecular contact and aggregation. They show a unique charge transfer emission in the near-infrared region, of which the peak wavelengths exhibit strong solvatochromism. The dipole moments of the molecules have been estimated using the Lippert–Mataga equation, and upon excitation, they show larger dipole moment changes than that of 1,7-diaminoperylene bisimide (2). Moreover, all the dyes exhibit two irreversible one-electron oxidations and two quasi-reversible one-electron reductions in dichloromethane at modest potentials. Complementary density functional theory calculations performed on these chromophores are reported in order to rationalize their electronic structure and optical properties. PMID:28788262

A Label-Free Photoluminescence Genosensor Using Nanostructured Magnesium Oxide for Cholera Detection

NASA Astrophysics Data System (ADS)

Patel, Manoj Kumar; Ali, Md. Azahar; Krishnan, Sadagopan; Agrawal, Ved Varun; Al Kheraif, Abdulaziz A.; Fouad, H.; Ansari, Z. A.; Ansari, S. G.; Malhotra, Bansi D.

2015-11-01

Nanomaterial-based photoluminescence (PL) diagnostic devices offer fast and highly sensitive detection of pesticides, DNA, and toxic agents. Here we report a label-free PL genosensor for sensitive detection of Vibrio cholerae that is based on a DNA hybridization strategy utilizing nanostructured magnesium oxide (nMgO; size >30 nm) particles. The morphology and size of the synthesized nMgO were determined by transmission electron microscopic (TEM) studies. The probe DNA (pDNA) was conjugated with nMgO and characterized by X-ray photoelectron and Fourier transform infrared spectroscopic techniques. The target complementary genomic DNA (cDNA) isolated from clinical samples of V. cholerae was subjected to DNA hybridization studies using the pDNA-nMgO complex and detection of the cDNA was accomplished by measuring changes in PL intensity. The PL peak intensity measured at 700 nm (red emission) increases with the increase in cDNA concentration. A linear range of response in the developed PL genosensor was observed from 100 to 500 ng/μL with a sensitivity of 1.306 emi/ng, detection limit of 3.133 ng/μL and a regression coefficient (R2) of 0.987. These results show that this ultrasensitive PL genosensor has the potential for applications in the clinical diagnosis of cholera.

An easily reversible structural change underlies mechanisms enabling desert crust cyanobacteria to survive desiccation.

PubMed

Bar-Eyal, Leeat; Eisenberg, Ido; Faust, Adam; Raanan, Hagai; Nevo, Reinat; Rappaport, Fabrice; Krieger-Liszkay, Anja; Sétif, Pierre; Thurotte, Adrien; Reich, Ziv; Kaplan, Aaron; Ohad, Itzhak; Paltiel, Yossi; Keren, Nir

2015-10-01

Biological desert sand crusts are the foundation of desert ecosystems, stabilizing the sands and allowing colonization by higher order organisms. The first colonizers of the desert sands are cyanobacteria. Facing the harsh conditions of the desert, these organisms must withstand frequent desiccation-hydration cycles, combined with high light intensities. Here, we characterize structural and functional modifications to the photosynthetic apparatus that enable a cyanobacterium, Leptolyngbya sp., to thrive under these conditions. Using multiple in vivo spectroscopic and imaging techniques, we identified two complementary mechanisms for dissipating absorbed energy in the desiccated state. The first mechanism involves the reorganization of the phycobilisome antenna system, increasing excitonic coupling between antenna components. This provides better energy dissipation in the antenna rather than directed exciton transfer to the reaction center. The second mechanism is driven by constriction of the thylakoid lumen which limits diffusion of plastocyanin to P700. The accumulation of P700(+) not only prevents light-induced charge separation but also efficiently quenches excitation energy. These protection mechanisms employ existing components of the photosynthetic apparatus, forming two distinct functional modes. Small changes in the structure of the thylakoid membranes are sufficient for quenching of all absorbed energy in the desiccated state, protecting the photosynthetic apparatus from photoinhibitory damage. These changes can be easily reversed upon rehydration, returning the system to its high photosynthetic quantum efficiency. Copyright © 2015 Elsevier B.V. All rights reserved.

A multi-analytical investigation of semi-conductor pigments with time-resolved spectroscopy and imaging

NASA Astrophysics Data System (ADS)

Nevin, A.; Cesaratto, A.; D'Andrea, C.; Valentini, Gianluca; Comelli, D.

2013-05-01

We present the non-invasive study of historical and modern Zn- and Cd-based pigments with time-resolved fluorescence spectroscopy, fluorescence multispectral imaging and fluorescence lifetime imaging (FLIM). Zinc oxide and Zinc sulphide are semiconductors which have been used as white pigments in paintings, and the luminescence of these pigments from trapped states is strongly dependent on the presence of impurities and crystal defects. Cadmium sulphoselenide pigments vary in hue from yellow to deep red based on their composition, and are another class of semiconductor pigments which emit both in the visible and the near infrared. The Fluorescence lifetime of historical and modern pigments has been measured using both an Optical Multichannel Analyser (OMA) coupled with a Nd:YAG nslaser, and a streak camera coupled with a ps-laser for spectrally-resolved fluorescence lifetime measurements. For Znbased pigments we have also employed Fluorescence Lifetime Imaging (FLIM) for the measurement of luminescence. A case study of FLIM applied to the analysis of the painting by Vincent Van Gogh on paper - "Les Bretonnes et le pardon de Pont-Aven" (1888) is presented. Through the integration of complementary, portable and non-invasive spectroscopic techniques, new insights into the optical properties of Zn- and Cd-based pigments have been gained which will inform future analysis of late 19th] and early 20th C. paintings.

Use of near-IR to monitor the influence of external heating on dental composite photopolymerization.

PubMed

Trujillo, Marianela; Newman, Sheldon M; Stansbury, Jeffrey W

2004-10-01

This study was conducted to determine the effect of modest external heating on the photopolymerization kinetics and conversion of commercial dental composite restorative materials. A transmission-mode, real-time near-infrared spectroscopic technique was used to monitor the photopolymerization process in the composite materials at various temperatures between 23 and 70 degrees C. Several light curing units, differing in spectral output and power densities were compared at the different cure temperatures. Several significantly different commercial composites were compared for their response. Regardless of the curing light or composite material used, photopolymerization at a moderate curing temperature of 54.5 degrees C resulted in significantly higher immediate and final conversion values compared with room temperature photocuring. Contrary to the room temperature cured materials, at the elevated cure temperature the extent of post-cure was minor and different curing lights produced very uniform conversion values within a given material. The time required to reach a given level of conversion, established as full conversion with the room temperature cure, was reduced typically by 80-90% using the elevated curing conditions. Complementary kinetic studies confirmed the effect of cure temperature on increasing the polymerization rate in dental composites as significant. Increasing the temperature of composite resin within potentially biologically compatible limits can significantly influences resin polymerization. These increased rates and conversion could lead to improved properties of composite restorative materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Godfrey, T. J.; Yu, Hui; Ullrich, Susanne, E-mail: ullrich@physast.uga.edu

The studies herein investigate the involvement of the low-lying {sup 1}L{sub a} and {sup 1}L{sub b} states with {sup 1}ππ{sup *} character and the {sup 1}πσ{sup *} state in the deactivation process of indole following photoexcitation at 201 nm. Three gas-phase, pump-probe spectroscopic techniques are employed: (1) Time-resolved photoelectron spectroscopy (TR-PES), (2) hydrogen atom (H-atom) time-resolved kinetic energy release (TR-KER), and (3) time-resolved ion yield (TR-IY). Each technique provides complementary information specific to the photophysical processes in the indole molecule. In conjunction, a thorough examination of the electronically excited states in the relaxation process, with particular focus on the involvement ofmore » the {sup 1}πσ{sup *} state, is afforded. Through an extensive analysis of the TR-PES data presented here, it is deduced that the initial excitation of the {sup 1}B{sub b} state decays to the {sup 1}L{sub a} state on a timescale beyond the resolution of the current experimental setup. Relaxation proceeds on the {sup 1}L{sub a} state with an ultrafast decay constant (<100 femtoseconds (fs)) to the lower-lying {sup 1}L{sub b} state, which is found to possess a relatively long lifetime of 23 ± 5 picoseconds (ps) before regressing to the ground state. These studies also manifest an additional component with a relaxation time of 405 ± 76 fs, which is correlated with activity along the {sup 1}πσ{sup *} state. TR-KER and TR-IY experiments, both specifically probing {sup 1}πσ{sup *} dynamics, exhibit similar decay constants, further validating these observations.« less

Integrating complementary therapies into health care education: a cautious approach.

PubMed

Richardson, J

2001-11-01

The movement of complementary therapy training and education into higher education in the United Kingdom (UK) and the interest in alternative therapeutic approaches within the health professions presents an ideal opportunity for multidisciplinary teaching and shared learning. The diversity and similarities of complementary therapies and areas of convergence with conventional healthcare practice can be explored. The recent publication of the House of Lords Select Committee on Science and Technology report on complementary and alternative medicine (HL Paper 123) provides a broader context for discussion and makes specific recommendations about regulation, education and research in the UK. This paper considers the appropriateness of integrating complementary therapies into education for conventional healthcare practitioners, what we should integrate, and when might be the most appropriate time in the education of healthcare practitioners to introduce different therapeutic modalities and their respective philosophical languages. Rather than present a range of solutions, the paper raises some fundamental issues that are central to the integration of complementary therapeutic approaches. If these issues are neglected as we hurry to incorporate different 'techniques' into our conventional practice, we may simply be left with additional tools that we are ill equipped to use.

Complementary home mechanical ventilation techniques. SEPAR Year 2014.

PubMed

Chiner, Eusebi; Sancho-Chust, José N; Landete, Pedro; Senent, Cristina; Gómez-Merino, Elia

2014-12-01

This is a review of the different complementary techniques that are useful for optimizing home mechanical ventilation (HMV). Airway clearance is very important in patients with HMV and many patients, particularly those with reduced peak cough flow, require airway clearance (manual or assisted) or assisted cough techniques (manual or mechanical) and suctioning procedures, in addition to ventilation. In the case of invasive HMV, good tracheostomy cannula management is essential for success. HMV patients may have sleep disturbances that must be taken into account. Sleep studies including complete polysomnography or respiratory polygraphy are helpful for identifying patient-ventilator asynchrony. Other techniques, such as bronchoscopy or nutritional support, may be required in patients on HMV, particularly if percutaneous gastrostomy is required. Information on treatment efficacy can be obtained from HMV monitoring, using methods such as pulse oximetry, capnography or the internal programs of the ventilators themselves. Finally, the importance of the patient's subjective perception is reviewed, as this may potentially affect the success of the HMV. Copyright © 2014 SEPAR. Published by Elsevier Espana. All rights reserved.

Applicability of active infrared thermography for screening of human breast: a numerical study

NASA Astrophysics Data System (ADS)

Dua, Geetika; Mulaveesala, Ravibabu

2018-03-01

Active infrared thermography is a fast, painless, noncontact, and noninvasive imaging method, complementary to mammography, ultrasound, and magnetic resonance imaging methods for early diagnosis of breast cancer. This technique plays an important role in early detection of breast cancer to women of all ages, including pregnant or nursing women, with different sizes of breast, irrespective of either fatty or dense breast. This proposed complementary technique makes use of infrared emission emanating from the breast. Emanating radiations from the surface of the breast under test are detected with an infrared camera to map the thermal gradients over it, in order to reveal hidden tumors inside it. One of the reliable active infrared thermographic technique, linear frequency modulated thermal wave imaging is adopted to detect tumors present inside the breast. Further, phase and amplitude images are constructed using frequency and time-domain data analysis schemes. Obtained results show the potential of the proposed technique for early diagnosis of breast cancer in fatty as well as dense breasts.

Atom Probe Tomographic Analysis of Biological Systems Enabled by Advanced Specimen Preparation Approaches

NASA Astrophysics Data System (ADS)

Perea, D. E.; Evans, J. E.

2017-12-01

The ability to image biointerfaces over nanometer to micrometer length scales is fundamental to correlating biological composition and structure to physiological function, and is aided by a multimodal approach using advanced complementary microscopic and spectroscopic characterization techniques. Atom Probe Tomography (APT) is a rapidly expanding technique for atomic-scale three-dimensional structural and chemical analysis. However, the regular application of APT to soft biological materials is lacking in large part due to difficulties in specimen preparation and inabilities to yield meaningful tomographic reconstructions that produce atomic scale compositional distributions as no other technique currently can. Here we describe the atomic-scale tomographic analysis of biological materials using APT that is facilitated by an advanced focused ion beam based approach. A novel specimen preparation strategy is used in the analysis of horse spleen ferritin protein embedded in an organic polymer resin which provides chemical contrast to distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell of the ferritin protein. One-dimensional composition profiles directly reveal an enhanced concentration of P and Na at the surface of the ferrihydrite mineral core. We will also describe the development of a unique multifunctional environmental transfer hub allowing controlled cryogenic transfer of specimens under vacuum pressure conditions between an Atom Probe and cryo-FIB/SEM. The utility of the environmental transfer hub is demonstrated through the acquisition of previously unavailable mass spectral analysis of an intact organometallic molecule made possible via controlled cryogenic transfer. The results demonstrate a viable application of APT analysis to study complex biological organic/inorganic interfaces relevant to energy and the environment. References D.E. Perea et al. An environmental transfer hub for multimodal atom probe tomography, Adv. Struct. Chem. Imag, 2017, 3:12 The research was performed at the Environmental Molecular Sciences Laboratory; a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

Comprehensive analysis of TEM methods for LiFePO4/FePO4 phase mapping: spectroscopic techniques (EFTEM, STEM-EELS) and STEM diffraction techniques (ACOM-TEM).

PubMed

Mu, X; Kobler, A; Wang, D; Chakravadhanula, V S K; Schlabach, S; Szabó, D V; Norby, P; Kübel, C

2016-11-01

Transmission electron microscopy (TEM) has been used intensively in investigating battery materials, e.g. to obtain phase maps of partially (dis)charged (lithium) iron phosphate (LFP/FP), which is one of the most promising cathode material for next generation lithium ion (Li-ion) batteries. Due to the weak interaction between Li atoms and fast electrons, mapping of the Li distribution is not straightforward. In this work, we revisited the issue of TEM measurements of Li distribution maps for LFP/FP. Different TEM techniques, including spectroscopic techniques (energy filtered (EF)TEM in the energy range from low-loss to core-loss) and a STEM diffraction technique (automated crystal orientation mapping (ACOM)), were applied to map the lithiation of the same location in the same sample. This enabled a direct comparison of the results. The maps obtained by all methods showed excellent agreement with each other. Because of the strong difference in the imaging mechanisms, it proves the reliability of both the spectroscopic and STEM diffraction phase mapping. A comprehensive comparison of all methods is given in terms of information content, dose level, acquisition time and signal quality. The latter three are crucial for the design of in-situ experiments with beam sensitive Li-ion battery materials. Furthermore, we demonstrated the power of STEM diffraction (ACOM-STEM) providing additional crystallographic information, which can be analyzed to gain a deeper understanding of the LFP/FP interface properties such as statistical information on phase boundary orientation and misorientation between domains. Copyright © 2016 Elsevier B.V. All rights reserved.

Spectroscopic analysis technique for arc-welding process control

NASA Astrophysics Data System (ADS)

Mirapeix, Jesús; Cobo, Adolfo; Conde, Olga; Quintela, María Ángeles; López-Higuera, José-Miguel

2005-09-01

The spectroscopic analysis of the light emitted by thermal plasmas has found many applications, from chemical analysis to monitoring and control of industrial processes. Particularly, it has been demonstrated that the analysis of the thermal plasma generated during arc or laser welding can supply information about the process and, thus, about the quality of the weld. In some critical applications (e.g. the aerospace sector), an early, real-time detection of defects in the weld seam (oxidation, porosity, lack of penetration, ...) is highly desirable as it can reduce expensive non-destructive testing (NDT). Among others techniques, full spectroscopic analysis of the plasma emission is known to offer rich information about the process itself, but it is also very demanding in terms of real-time implementations. In this paper, we proposed a technique for the analysis of the plasma emission spectrum that is able to detect, in real-time, changes in the process parameters that could lead to the formation of defects in the weld seam. It is based on the estimation of the electronic temperature of the plasma through the analysis of the emission peaks from multiple atomic species. Unlike traditional techniques, which usually involve peak fitting to Voigt functions using the Levenberg-Marquardt recursive method, we employ the LPO (Linear Phase Operator) sub-pixel algorithm to accurately estimate the central wavelength of the peaks (allowing an automatic identification of each atomic species) and cubic-spline interpolation of the noisy data to obtain the intensity and width of the peaks. Experimental tests on TIG-welding using fiber-optic capture of light and a low-cost CCD-based spectrometer, show that some typical defects can be easily detected and identified with this technique, whose typical processing time for multiple peak analysis is less than 20msec. running in a conventional PC.

Spectroscopic photon localization microscopy: breaking the resolution limit of single molecule localization microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Dong, Biqin; Almassalha, Luay Matthew; Urban, Ben E.; Nguyen, The-Quyen; Khuon, Satya; Chew, Teng-Leong; Backman, Vadim; Sun, Cheng; Zhang, Hao F.

2017-02-01

Distinguishing minute differences in spectroscopic signatures is crucial for revealing the fluorescence heterogeneity among fluorophores to achieve a high molecular specificity. Here we report spectroscopic photon localization microscopy (SPLM), a newly developed far-field spectroscopic imaging technique, to achieve nanoscopic resolution based on the principle of single-molecule localization microscopy while simultaneously uncovering the inherent molecular spectroscopic information associated with each stochastic event (Dong et al., Nature Communications 2016, in press). In SPLM, by using a slit-less monochromator, both the zero-order and the first-order diffractions from a grating were recorded simultaneously by an electron multiplying charge-coupled device to reveal the spatial distribution and the associated emission spectra of individual stochastic radiation events, respectively. As a result, the origins of photon emissions from different molecules can be identified according to their spectral differences with sub-nm spectral resolution, even when the molecules are within close proximity. With the newly developed algorithms including background subtraction and spectral overlap unmixing, we established and tested a method which can significantly extend the fundamental spatial resolution limit of single molecule localization microscopy by molecular discrimination through spectral regression. Taking advantage of this unique capability, we demonstrated improvement in spatial resolution of PALM/STORM up to ten fold with selected fluorophores. This technique can be readily adopted by other research groups to greatly enhance the optical resolution of single molecule localization microscopy without the need to modify their existing staining methods and protocols. This new resolving capability can potentially provide new insights into biological phenomena and enable significant research progress to be made in the life sciences.

Broadband mid-infrared and THz chemical detection with quantum cascade laser multi-heterodyne spectrometers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Westberg, Jonas; Sterczewski, Lukasz A.; Patrick, Link; Wysocki, Gerard

2017-05-01

Majority of chemical species of interest in security and safety applications (e.g. explosives) have complex molecular structures that produce unresolved rotational-vibrational spectroscopic signatures in the mid-infrared. This requires spectroscopic techniques that can provide broadband coverage in the mid-IR region to target broadband absorbers and high resolution to address small molecules that exhibit well-resolved spectral lines. On the other hand, many broadband mid-IR absorbers exhibit well-resolved rotational components in the THz spectral region. Thus, development of spectroscopic sensing technologies that can address both spectral regions is of great importance. Here we demonstrate recent progress towards broadband high-resolution spectroscopic sensing applications with Fabry-Perot quantum cascade lasers (QCLs) and frequency combs using multi-heterodyne spectroscopy (MHS) techniques. In this paper, we will present spectroscopic sensing of large and small molecules in the mid-IR region using QCLs operating at 8.5µm. An example high-resolution, broadband MHS of ammonia (small molecule) and isobutane (broadband absorber) at atmospheric pressure in the 1165-1190 cm^-1 range will be discussed. We have developed a balanced MHS system for mitigation of the laser intensity fluctuations. Absorption spectroscopy as well as dispersion spectroscopy with minimum fractional absorption down to 10^-4/Hz1/2 and fast spectral acquisition capabilities down to 10 µs/spectrum range will be demonstrated. In order to mitigate the shortcomings of the limited chemical selectivity in the mid-IR, THz QCL based spectrometer is currently under development to provide spectral de-congestion and thus significantly improve chemical identification. Preliminary characterization of the performance of THZ QCL combs for the THz QCL-MHS will be presented.

A Spectroscopic Survey and Analysis of Bright, Hydrogen-rich White Dwarfs

NASA Astrophysics Data System (ADS)

Gianninas, A.; Bergeron, P.; Ruiz, M. T.

2011-12-01

We have conducted a spectroscopic survey of over 1300 bright (V <= 17.5), hydrogen-rich white dwarfs based largely on the last published version of the McCook & Sion catalog. The complete results from our survey, including the spectroscopic analysis of over 1100 DA white dwarfs, are presented. High signal-to-noise ratio optical spectra were obtained for each star and were subsequently analyzed using our standard spectroscopic technique where the observed Balmer line profiles are compared to synthetic spectra computed from the latest generation of model atmospheres appropriate for these stars. First, we present the spectroscopic content of our sample, which includes many misclassifications as well as several DAB, DAZ, and magnetic white dwarfs. Next, we look at how the new Stark broadening profiles affect the determination of the atmospheric parameters. When necessary, specific models and analysis techniques are used to derive the most accurate atmospheric parameters possible. In particular, we employ M dwarf templates to obtain better estimates of the atmospheric parameters for those white dwarfs that are in DA+dM binary systems. Certain unique white dwarfs and double-degenerate binary systems are also analyzed in greater detail. We then examine the global properties of our sample including the mass distribution and their distribution as a function of temperature. We then proceed to test the accuracy and robustness of our method by comparing our results to those of other surveys such as SPY and Sloan Digital Sky Survey. Finally, we revisit the ZZ Ceti instability strip and examine how the determination of its empirical boundaries is affected by the latest line profile calculations. Based on observations made with ESO Telescopes at the La Silla or Paranal Observatories under program ID 078.D-0824(A).

Using Religious Songs as an Integrative and Complementary Therapy for the Management of Psychological Symptoms Among African American Cancer Survivors.

PubMed

Hamilton, Jill B; Worthy, Valarie C; Kurtz, Melissa J; Cudjoe, Joycelyn; Johnstone, Peter A

Acupuncture, acupressure, yoga, meditation, cognitive-behavioral techniques, and, to a lesser extent, music are among those integrative and complementary therapies with known beneficial effects on psychological symptoms. However, noticeably absent from this research is the use of religious song as a type of integrative and complementary therapy. The aim of this study was to explore how religious songs were used to alleviate psychological symptoms associated with a cancer diagnosis among a sample of older African American cancer survivors. Thirty-one older African American cancer survivors residing in the Southeastern US participated in a qualitative descriptive study involving criterion sampling, open-ended semistructured interviews, and qualitative content analysis. Participants used religious songs in response to feeling depressed, low, or sad; feeling weak and seeking strength to endure treatment; and feeling worried, anxious, or fearful. Religious songs were also a source of support and hope. Types of religious songs included instructive, thanksgiving and praise, memory of forefathers, communication with God, and life after death. Religious songs appear to be an important form of religious expression in this population and used to manage psychological symptoms. Integrative and complementary oncology therapy has generally focused on yoga, meditation, acupuncture, and cognitive-behavioral techniques. However, religious songs are an important strategy used among older African American cancer patients. Religious songs can be readily integrated into cancer care. The incorporation of religious songs into spiritually based support groups and other integrative and complementary therapies might enhance health outcomes among this medically underserved cancer population.

The MSFC complementary metal oxide semiconductor (including multilevel interconnect metallization) process handbook

NASA Technical Reports Server (NTRS)

Bouldin, D. L.; Eastes, R. W.; Feltner, W. R.; Hollis, B. R.; Routh, D. E.

1979-01-01

The fabrication techniques for creation of complementary metal oxide semiconductor integrated circuits at George C. Marshall Space Flight Center are described. Examples of C-MOS integrated circuits manufactured at MSFC are presented with functional descriptions of each. Typical electrical characteristics of both p-channel metal oxide semiconductor and n-channel metal oxide semiconductor discrete devices under given conditions are provided. Procedures design, mask making, packaging, and testing are included.

The Electronic Spectrum of Iodine Revisited.

ERIC Educational Resources Information Center

McNaught, Ian J.

1980-01-01

Presents equations and techniques for calculating and interpreting many of the spectroscopically important parameters associated with the ground and second excited states of the iodine molecule. (Author/CS)

Novel Multidimensional Cross-Correlation Data Comparison Techniques for Spectroscopic Discernment in a Volumetrically Sensitive, Moderating Type Neutron Spectrometer

NASA Astrophysics Data System (ADS)

Hoshor, Cory; Young, Stephan; Rogers, Brent; Currie, James; Oakes, Thomas; Scott, Paul; Miller, William; Caruso, Anthony

2014-03-01

A novel application of the Pearson Cross-Correlation to neutron spectral discernment in a moderating type neutron spectrometer is introduced. This cross-correlation analysis will be applied to spectral response data collected through both MCNP simulation and empirical measurement by the volumetrically sensitive spectrometer for comparison in 1, 2, and 3 spatial dimensions. The spectroscopic analysis methods discussed will be demonstrated to discern various common spectral and monoenergetic neutron sources.

Spectroscopic studies on the interaction of cysteine capped CuS nanoparticles with tyrosine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prasanth, S.; Raj, D. Rithesh; Kumar, T. V. Vineesh

2015-06-24

Biocompatible cysteine coated CuS nanoparticles were synthesized by a simple aqueous solution method. Hexagonal phase of the samples were confirmed from X-ray diffraction and particle size found to be 9 nm. The possible interaction between the bioactive cysteine capped CuS nanoparticles and tyrosine were investigated using spectroscopic techniques such as UV-Visible absorption and fluorescence spectroscopy. It is observed that the luminescence intensity of tyrosine molecule enhanced by the addition CuS nanoparticles.

Measuring water contents in animal organ tissues using terahertz spectroscopic imaging.

PubMed

Lee, Kyumin; Jeoung, Kiyong; Kim, Sang Hoon; Ji, Young-Bin; Son, Hyeyoung; Choi, Yuna; Huh, Young-Min; Suh, Jin-Suck; Oh, Seung Jae

2018-04-01

We investigated the water contents in several organ tissues such as the liver, spleen, kidney, and brain tissue of rats using the terahertz spectroscopic imaging technique. The water contents of the tissues were determined by using a simple equation containing the absorption coefficients of fresh and lyophilized tissues and water. We compared the measured water contents with the difference in mass of tissues before and after lyophilization. All results showed a good match except for the kidney, which has several Bowman's capsules.

A real-time spectroscopic sensor for monitoring laser welding processes.

PubMed

Sibillano, Teresa; Ancona, Antonio; Berardi, Vincenzo; Lugarà, Pietro Mario

2009-01-01

In this paper we report on the development of a sensor for real time monitoring of laser welding processes based on spectroscopic techniques. The system is based on the acquisition of the optical spectra emitted from the laser generated plasma plume and their use to implement an on-line algorithm for both the calculation of the plasma electron temperature and the analysis of the correlations between selected spectral lines. The sensor has been patented and it is currently available on the market.

First Spectroscopic Solutions of Two Southern Eclipsing Binaries: HO Tel and QY Tel

NASA Astrophysics Data System (ADS)

Sürgit, D.; Erdem, A.; Engelbrecht, C. A.; van Heerden, P.; Manick, R.

2015-07-01

We present preliminary results from the analysis of spectroscopic observations of two southern eclipsing binary stars, HO Tel and QY Tel. The grating spectra of these two systems were obtained at the Sutherland Station of the South African Astronomical Observatory in 2013. Radial velocities of the components were determined by the Fourier disentangling technique. Keplerian radial velocity models of HO Tel and QY Tel give their mass ratio as 0.921±0.005 and 1.089±0.007, respectively.

Novel heterocyclic thiosemicarbazones derivatives as colorimetric and "turn on" fluorescent sensors for fluoride anion sensing employing hydrogen bonding.

PubMed

Ashok Kumar, S L; Saravana Kumar, M; Sreeja, P B; Sreekanth, A

2013-09-01

Two novel heterocyclic thiosemicarbazone derivatives have been synthesized, and characterized, by means of spectroscopic and single crystal X-ray diffraction methods. Their chromophoric-fluorogenic response towards anions in competing solvent dimethyl sulfoxide (DMSO) was studied. The receptor shows selective recognition towards fluoride anion. The binding affinity of the receptors with fluoride anion was calculated using UV-visible and fluorescence spectroscopic techniques. Copyright © 2013 Elsevier B.V. All rights reserved.

Enhanced emission of Nile Red on plasmonic platforms

NASA Astrophysics Data System (ADS)

Synak, Anna; Bojarski, Piotr; Grobelna, Beata; Gryczyński, Ignacy; Fudala, Rafał; Mońka, Michal

2018-04-01

Strongly enhanced fluorescence of Nile Red deposited in the vicinity of silver nanoparticles and gold semitransparent mirror was observed. The properties of three different plasmonic platforms based on TiO2, TiO2-GLYMO (1:1) and SiO2 matrices were studied with spectroscopic and microscopic techniques. Significant differences of Nile Red spectroscopic properties in both matrices were observed. In particular, the sensitivity of Nile Red fluorescence enhancement and its peak location to the polarity of local surrounding was found.

Shadow-free single-pixel imaging

NASA Astrophysics Data System (ADS)

Li, Shunhua; Zhang, Zibang; Ma, Xiao; Zhong, Jingang

2017-11-01

Single-pixel imaging is an innovative imaging scheme and receives increasing attention in recent years, for it is applicable for imaging at non-visible wavelengths and imaging under weak light conditions. However, as in conventional imaging, shadows would likely occur in single-pixel imaging and sometimes bring negative effects in practical uses. In this paper, the principle of shadows occurrence in single-pixel imaging is analyzed, following which a technique for shadows removal is proposed. In the proposed technique, several single-pixel detectors are used to detect the backscattered light at different locations so that the shadows in the reconstructed images corresponding to each detector shadows are complementary. Shadow-free reconstruction can be derived by fusing the shadow-complementary images using maximum selection rule. To deal with the problem of intensity mismatch in image fusion, we put forward a simple calibration. As experimentally demonstrated, the technique is able to reconstruct monochromatic and full-color shadow-free images.

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

Spectroscopic investigation on cocrystal formation between adenine and fumaric acid based on infrared and Raman techniques.

PubMed

Du, Yong; Fang, Hong Xia; Zhang, Qi; Zhang, Hui Li; Hong, Zhi

2016-01-15

As an important component of double-stranded DNA, adenine has powerful hydrogen-bond capability, due to rich hydrogen bond donors and acceptors existing within its molecular structure. Therefore, it is easy to form cocrystal between adenine and other small molecules with intermolecular hydrogen-bond effect. In this work, cocrystal of adenine and fumaric acid has been characterized as model system by FT-IR and FT-Raman spectral techniques. The experimental results show that the cocrystal formed between adenine and fumaric acid possesses unique spectroscopical characteristic compared with that of starting materials. Density functional theory (DFT) calculation has been performed to optimize the molecular structures and simulate vibrational modes of adenine, fumaric acid and the corresponding cocrystal. Combining the theoretical and experimental vibrational results, the characteristic bands corresponding to bending and stretching vibrations of amino and carbonyl groups within cocrystal are shifted into lower frequencies upon cocrystal formation, and the corresponding bond lengths show some increase due to the effect of intermolecular hydrogen bonding. Different vibrational modes shown in the experimental spectra have been assigned based on the simulation DFT results. The study could provide experimental and theoretical benchmarks to characterize cocrystal formed between active ingredients and cocrystal formers and also the intermolecular hydrogen-bond effect within cocrystal formation process by vibrational spectroscopic techniques. Copyright © 2015 Elsevier B.V. All rights reserved.

Characterization by spectroscopic Ellipsometry, the physical properties of silver nanoparticles.

NASA Astrophysics Data System (ADS)

Coanga, Jean-Maurice

2013-04-01

Physicists are able to change their minds through their experiments. I think it is time to go kick the curse and go further in research if we want a human future. I work in the Nano-Optics and Plasmonics research. I defined with ellipsomètrie the structure of new type of Nano particles of silver. It's same be act quickly to replace the old dirty leaded electronic-connexion chip and by the other hand to find a new way for the heath care of cancer disease by nanoparticles the next killers of bad cells. Silver nanoparticle layers are obtained by Spark Plasma Sintering are investigated as an alternative to lead alloy based material for solder joint in power mechatronics modules. These layers are characterized by mean of conventional techniques that is the dilatometry technique, the resistivity measurement through the van der Pauw method, and the flash laser technique. Furthermore, the nanoparticles of silver layer are deeply studied by UV-Visible spectroscopic ellipsometry. Spectroscopic angles parameters are determined in function of temperature and dielectric constants are deduced and analyzed through an optical model which takes into account a Drude and a Lorentz component within the Bruggeman effective medium approximation (EMA). The relaxation times and the electrical conductivity are plot in function of temperature. The obtained electrical conductivity give significant result in good agreement to those reported by four points electrical measurement method.

Chemical Fingerprinting of Materials Developed Due To Environmental Issues

NASA Technical Reports Server (NTRS)

Smith, Doris A.; McCool, A. (Technical Monitor)

2000-01-01

This paper presents viewgraphs on chemical fingerprinting of materials developed due to environmental issues. Some of the topics include: 1) Aerospace Materials; 2) Building Blocks of Capabilities; 3) Spectroscopic Techniques; 4) Chromatographic Techniques; 5) Factors that Determine Fingerprinting Approach; and 6) Fingerprinting: Combination of instrumental analysis methods that diagnostically characterize a material.

In Vivo EPR Resolution Enhancement Using Techniques Known from Quantum Computing Spin Technology.

PubMed

Rahimi, Robabeh; Halpern, Howard J; Takui, Takeji

2017-01-01

A crucial issue with in vivo biological/medical EPR is its low signal-to-noise ratio, giving rise to the low spectroscopic resolution. We propose quantum hyperpolarization techniques based on 'Heat Bath Algorithmic Cooling', allowing possible approaches for improving the resolution in magnetic resonance spectroscopy and imaging.

Measurement of gadolinium retention: current status and review from an applied radiation physics perspective.

PubMed

Gräfe, James L; McNeill, Fiona E

2018-06-28

This article briefly reviews the main measurement techniques for the non-invasive detection of residual gadolinium (Gd) in those exposed to gadolinium-based contrast agents (GBCAs). Approach and Main results: The current status of in vivo Gd measurement is discussed and is put into the context of concerns within the radiology community. The main techniques are based on applied atomic/nuclear medicine utilizing the characteristic atomic and nuclear spectroscopic signature of Gd. The main emission energies are in the 40-200 keV region and require spectroscopic detectors with good energy resolution. The two main techniques, prompt gamma neutron activation analysis and x-ray fluorescence, provide adequate detection limits for in vivo measurement, whilst delivering a low effective radiation dose on the order of a few µSv. Gadolinium is being detected in measureable quantities in people with healthy renal function who have received FDA approved GBCAs. The applied atomic/nuclear medicine techniques discussed in this review will be useful in determining the significance of this retention, and will help on advising future administration protocols.

Complementary and alternative medicine for the treatment and diagnosis of asthma and allergic diseases.

PubMed

Passalacqua, G; Compalati, E; Schiappoli, M; Senna, G

2005-03-01

The use of Complementary/Alternative Medicines (CAM) is largely diffused and constantly increasing, especially in the field of allergic diseases and asthma. Homeopathy, acupuncture and phytotherapy are the most frequently utilised treatments, whereas complementary diagnostic techniques are mainly used in the field of food allergy-intolerance. Looking at the literature, the majority of clinical trials with CAMS are of low methodological quality, thus difficult to interpret. There are very few studies performed in a rigorously controlled fashion, and those studies provided inconclusive results. In asthma, none of the CAM have thus far been proved more effective than placebo or equally effective as standard treatments. Some herbal products, containing active principles, have displayed some clinical effect, but the herbal remedies are usually not standardised and not quantified, thus carry the risk of toxic effects or interactions. None of the alternative diagnostic techniques (electrodermal testing, kinesiology, leukocytotoxic test, iridology, hair analysis) have been proved able to distinguish between healthy and allergic subjects or to diagnose sensitizations. Therefore these tests must not be used, since they can lead to delayed or incorrect diagnosis and therapy.

Atomic oxygen effects on thin film space coatings studied by spectroscopic ellipsometry, atomic force microscopy, and laser light scattering

NASA Technical Reports Server (NTRS)

Synowicki, R. A.; Hale, Jeffrey S.; Woollam, John A.

1992-01-01

The University of Nebraska is currently evaluating Low Earth Orbit (LEO) simulation techniques as well as a variety of thin film protective coatings to withstand atomic oxygen (AO) degradation. Both oxygen plasma ashers and an electron cyclotron resonance (ECR) source are being used for LEO simulation. Thin film coatings are characterized by optical techniques including Variable Angle Spectroscopic Ellipsometry, Optical spectrophotometry, and laser light scatterometry. Atomic Force Microscopy (AFM) is also used to characterize surface morphology. Results on diamondlike carbon (DLC) films show that DLC degrades with simulated AO exposure at a rate comparable to Kapton polyimide. Since DLC is not as susceptible to environmental factors such as moisture absorption, it could potentially provide more accurate measurements of AO fluence on short space flights.

Spectra of cosmic X-ray sources

NASA Technical Reports Server (NTRS)

Holt, S. S.; Mccray, R.

1982-01-01

X-ray measurements provide the most direct probes of astrophysical environments with temperatures exceeding one million K. Progress in experimental research utilizing dispersive techniques (e.g., Bragg and grating spectroscopy) is considerably slower than that in areas utilizing photometric techniques, because of the relative inefficiency of the former for the weak X-ray signals from celestial sources. As a result, the term "spectroscopy" as applied to X-ray astronomy has traditionally satisfied a much less restrictive definition (in terms of resolving power) than it has in other wavebands. Until quite recently, resolving powers of order unity were perfectly respectable, and still provide (in most cases) the most useful spectroscopic data. In the broadest sense, X-ray photometric measurements are spectroscopic, insofar as they represent samples of the overall electromagnetic continua of celestial objects.

A newly synthesized thiazole derivative as a fluoride ion chemosensor: naked-eye, spectroscopic, electrochemical and NMR studies.

PubMed

Sarıgüney, Ahmet Burak; Saf, Ahmet Özgür; Coşkun, Ahmet

2014-07-15

2,3-Indoledione 3-thiosemicarbazone (TSCI) and a novel compound 3-(2-(4-(4-phenoxyphenyl)thiazol-2-yl)hydrazono)indolin-2-one (FTHI) were synthesized with high yield and characterized by spectroscopic techniques. The complexation behaviors of TSCI and FTHI for various anionic species (F(-), Cl(-), Br(-), I(-), NO2(-), NO3(-), BzO(-), HSO4(-), ClO4(-)) in CH3CN were investigated and compared by UV-vis spectroscopy, cyclic voltammetry and (1)H NMR titration techniques. FTHI showed high degree of selectivity for fluoride over other anions. This selectivity could be easily observed by the naked eye, indicating that FTHI is potential colorimetric sensor for fluoride anion. Copyright © 2014 Elsevier B.V. All rights reserved.

DNA Photo Lithography with Cinnamate-based Photo-Bio-Nano-Glue

NASA Astrophysics Data System (ADS)

Feng, Lang; Li, Minfeng; Romulus, Joy; Sha, Ruojie; Royer, John; Wu, Kun-Ta; Xu, Qin; Seeman, Nadrian; Weck, Marcus; Chaikin, Paul

2013-03-01

We present a technique to make patterned functional surfaces, using a cinnamate photo cross-linker and photolithography. We have designed and modified a complementary set of single DNA strands to incorporate a pair of opposing cinnamate molecules. On exposure to 360nm UV, the cinnamate makes a highly specific covalent bond permanently linking only the complementary strands containing the cinnamates. We have studied this specific and efficient crosslinking with cinnamate-containing DNA in solution and on particles. UV addressability allows us to pattern surfaces functionally. The entire surface is coated with a DNA sequence A incorporating cinnamate. DNA strands A'B with one end containing a complementary cinnamated sequence A' attached to another sequence B, are then hybridized to the surface. UV photolithography is used to bind the A'B strand in a specific pattern. The system is heated and the unbound DNA is washed away. The pattern is then observed by thermo-reversibly hybridizing either fluorescently dyed B' strands complementary to B, or colloids coated with B' strands. Our techniques can be used to reversibly and/or permanently bind, via DNA linkers, an assortment of molecules, proteins and nanostructures. Potential applications range from advanced self-assembly, such as templated self-replication schemes recently reported, to designed physical and chemical patterns, to high-resolution multi-functional DNA surfaces for genetic detection or DNA computing.

Dual parallel mass apectrometry (LC1/MS2 and LC2/MS2) for lipid and vitamin D analysis

USDA-ARS?s Scientific Manuscript database

Atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and electrospray ionization (ESI) MS are complementary techniques that provide different types of information for lipids such as triacylglycerols, phospholipids, and fat-soluble vitamins. Since no one technique is by itself idea...

Dual Parallel Mass Spectrometry (LC1/MS2 and LC2/MS2) for Lipid and Vitamin D Analysis

USDA-ARS?s Scientific Manuscript database

Atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and electrospray ionization (ESI) MS are complementary techniques that provide different types of information for lipids such as triacylglycerols (TAGs), phospholipids, and fat-soluble vitamins. Since no one technique is by itsel...

Assessment of amsacrine binding with DNA using UV-visible, circular dichroism and Raman spectroscopic techniques.

PubMed

Jangir, Deepak Kumar; Dey, Sanjay Kumar; Kundu, Suman; Mehrotra, Ranjana

2012-09-03

Proper understanding of the mechanism of binding of drugs to their targets in cell is a fundamental requirement to develop new drug therapy regimen. Amsacrine is a rationally designed anticancer drug, used to treat leukemia and lymphoma. Binding with cellular DNA is a crucial step in its mechanism of cytotoxicity. Despite numerous studies, DNA binding properties of amsacrine are poorly understood. Its reversible binding with DNA does not permit X-ray crystallography or NMR spectroscopic evaluation of amsacrine-DNA complexes. In the present work, interaction of amsacrine with calf thymus DNA is investigated at physiological conditions. UV-visible, FT-Raman and circular dichroism spectroscopic techniques were employed to determine the binding mode, binding constant, sequence specificity and conformational effects of amsacrine binding to native calf thymus DNA. Our results illustrate that amsacrine interacts with DNA by and large through intercalation between base pairs. Binding constant of the amsacrine-DNA complex was found to be K=1.2±0.1×10(4) M(-1) which is indicative of moderate type of binding of amsacrine to DNA. Raman spectroscopic results suggest that amsacrine has a binding preference of intercalation between AT base pairs of DNA. Minor groove binding is also observed in amsacrine-DNA complexes. These results are in good agreement with in silico investigation of amsacrine binding to DNA and thus provide detailed insight into DNA binding properties of amsacrine, which could ultimately, renders its cytotoxic efficacy. Copyright © 2012 Elsevier B.V. All rights reserved.

Effectiveness of applying progressive muscle relaxation technique on quality of life of patients with multiple sclerosis.

PubMed

Ghafari, Somayeh; Ahmadi, Fazlolah; Nabavi, Masoud; Anoshirvan, Kazemnejad; Memarian, Robabe; Rafatbakhsh, Mohamad

2009-08-01

To identify the effects of applying Progressive Muscle Relaxation Technique on Quality of Life of patients with multiple Sclerosis. In view of the growing caring options in Multiple Sclerosis, improvement of quality of life has become increasingly relevant as a caring intervention. Complementary therapies are widely used by multiple sclerosis patients and Progressive Muscle Relaxation Technique is a form of complementary therapies. Quasi-experimental study. Multiple Sclerosis patients (n = 66) were selected with no probability sampling then assigned to experimental and control groups (33 patients in each group). Means of data collection included: Individual Information Questionnaire, SF-8 Health Survey, Self-reported checklist. PMRT performed for 63 sessions by experimental group during two months but no intervention was done for control group. Statistical analysis was done by SPSS software. Student t-test showed that there was no significant difference between two groups in mean scores of health-related quality of life before the study but this test showed a significant difference between two groups, one and two months after intervention (p < 0.05). anova test with repeated measurements showed that there is a significant difference in mean score of whole and dimensions of health-related quality of life between two groups in three times (p < 0.05). Although this study provides modest support for the effectiveness of Progressive Muscle Relaxation Technique on quality of life of multiple sclerosis patients, further research is required to determine better methods to promote quality of life of patients suffer multiple sclerosis and other chronic disease. Progressive Muscle Relaxation Technique is practically feasible and is associated with increase of life quality of multiple sclerosis patients; so that health professionals need to update their knowledge about complementary therapies.

SPIDERS: the spectroscopic follow-up of X-ray-selected clusters of galaxies in SDSS-IV

DOE PAGES

Clerc, N.; Merloni, A.; Zhang, Y. -Y.; ...

2016-09-05

SPIDERS (The SPectroscopic IDentification of ERosita Sources) is a programme dedicated to the homogeneous and complete spectroscopic follow-up of X-ray active galactic nuclei and galaxy clusters over a large area (~7500 deg 2) of the extragalactic sky. SPIDERS is part of the Sloan Digital Sky Survey (SDSS)-IV project, together with the Extended Baryon Oscillation Spectroscopic Survey and the Time-Domain Spectroscopic Survey. This study describes the largest project within SPIDERS before the launch of eROSITA: an optical spectroscopic survey of X-ray-selected, massive (~10 14–10 15 M⊙) galaxy clusters discovered in ROSAT and XMM–Newton imaging. The immediate aim is to determine precisemore » (Δz ~ 0.001) redshifts for 4000–5000 of these systems out to z ~ 0.6. The scientific goal of the program is precision cosmology, using clusters as probes of large-scale structure in the expanding Universe. We present the cluster samples, target selection algorithms and observation strategies. We demonstrate the efficiency of selecting targets using a combination of SDSS imaging data, a robust red-sequence finder and a dedicated prioritization scheme. We describe a set of algorithms and work-flow developed to collate spectra and assign cluster membership, and to deliver catalogues of spectroscopically confirmed clusters. We discuss the relevance of line-of-sight velocity dispersion estimators for the richer systems. We illustrate our techniques by constructing a catalogue of 230 spectroscopically validated clusters (0.031 < z < 0.658), found in pilot observations. Finally, we discuss two potential science applications of the SPIDERS sample: the study of the X-ray luminosity-velocity dispersion (LX–σ) relation and the building of stacked phase-space diagrams.« less

SPIDERS: the spectroscopic follow-up of X-ray selected clusters of galaxies in SDSS-IV

NASA Astrophysics Data System (ADS)

Clerc, N.; Merloni, A.; Zhang, Y.-Y.; Finoguenov, A.; Dwelly, T.; Nandra, K.; Collins, C.; Dawson, K.; Kneib, J.-P.; Rozo, E.; Rykoff, E.; Sadibekova, T.; Brownstein, J.; Lin, Y.-T.; Ridl, J.; Salvato, M.; Schwope, A.; Steinmetz, M.; Seo, H.-J.; Tinker, J.

2016-12-01

SPIDERS (The SPectroscopic IDentification of eROSITA Sources) is a programme dedicated to the homogeneous and complete spectroscopic follow-up of X-ray active galactic nuclei and galaxy clusters over a large area (˜7500 deg2) of the extragalactic sky. SPIDERS is part of the Sloan Digital Sky Survey (SDSS)-IV project, together with the Extended Baryon Oscillation Spectroscopic Survey and the Time-Domain Spectroscopic Survey. This paper describes the largest project within SPIDERS before the launch of eROSITA: an optical spectroscopic survey of X-ray-selected, massive (˜1014-1015 M⊙) galaxy clusters discovered in ROSAT and XMM-Newton imaging. The immediate aim is to determine precise (Δz ˜ 0.001) redshifts for 4000-5000 of these systems out to z ˜ 0.6. The scientific goal of the program is precision cosmology, using clusters as probes of large-scale structure in the expanding Universe. We present the cluster samples, target selection algorithms and observation strategies. We demonstrate the efficiency of selecting targets using a combination of SDSS imaging data, a robust red-sequence finder and a dedicated prioritization scheme. We describe a set of algorithms and work-flow developed to collate spectra and assign cluster membership, and to deliver catalogues of spectroscopically confirmed clusters. We discuss the relevance of line-of-sight velocity dispersion estimators for the richer systems. We illustrate our techniques by constructing a catalogue of 230 spectroscopically validated clusters (0.031 < z < 0.658), found in pilot observations. We discuss two potential science applications of the SPIDERS sample: the study of the X-ray luminosity-velocity dispersion (LX-σ) relation and the building of stacked phase-space diagrams.

Speckle and spectroscopic orbits of the early A-type triple system Eta Virginis

NASA Technical Reports Server (NTRS)

Hartkopf, William I.; Mcalister, Harold A.; Yang, Xinxing; Fekel, Francis C.

1992-01-01

Eta Virginis is a bright (V = 3.89) triple system of composite spectral type A2 IV that has been observed for over a dozen years with both spectroscopy and speckle interferometry. Analysis of the speckle observations results in a long period of 13.1 yr. This period is also detected in residuals from the spectroscopic observations of the 71.7919 day short-period orbit. Elements of the long-period orbit were determined separately using the observations of both techniques. The more accurate elements from the speckle solution have been assumed in a simultaneous spectroscopic determination of the short- and long-period orbital elements. The magnitude difference of the speckle components suggests that lines of the third star should be visible in the spectrum.

Integrated photonics for infrared spectroscopic sensing

NASA Astrophysics Data System (ADS)

Lin, Hongtao; Kita, Derek; Han, Zhaohong; Su, Peter; Agarwal, Anu; Yadav, Anupama; Richardson, Kathleen; Gu, Tian; Hu, Juejun

2017-05-01

Infrared (IR) spectroscopy is widely recognized as a gold standard technique for chemical analysis. Traditional IR spectroscopy relies on fragile bench-top instruments located in dedicated laboratory settings, and is thus not suitable for emerging field-deployed applications such as in-line industrial process control, environmental monitoring, and point-ofcare diagnosis. Recent strides in photonic integration technologies provide a promising route towards enabling miniaturized, rugged platforms for IR spectroscopic analysis. Chalcogenide glasses, the amorphous compounds containing S, Se or Te, have stand out as a promising material for infrared photonic integration given their broadband infrared transparency and compatibility with silicon photonic integration. In this paper, we discuss our recent work exploring integrated chalcogenide glass based photonic devices for IR spectroscopic chemical analysis, including on-chip cavityenhanced chemical sensing and monolithic integration of mid-IR waveguides with photodetectors.

Spectroscopic temperature measurements in interior ballistic environments

NASA Astrophysics Data System (ADS)

Klingenberg, G.; Mach, H.

1984-11-01

Spectroscopic temperature measurements during the interior ballistic cycle of a 20 mm test fixture gun and inside the muzzle flash of a 7.62 mm rifle are described. The investigation yields information on temperature distribution in the burning propellant charge of the 20 mm test fixture and on radial temperature profiles in the 7.62 mm muzzle flash region. A technique to obtain temperature during the ignition and combustion within the 20 mm propellant charge is presented. Additional in-bore measurements by quartz windows mounted into bores along the barrel and emission-absorption measurements inside the muzzle flash of the 20 mm test fixture yield a complete temperature profile for the gun system. Spectroscopic infrared measurements inside the muzzle flash of a 7.62 mm rifle complete the investigation.

Characterising protein, salt and water interactions with combined vibrational spectroscopic techniques.

PubMed

Perisic, Nebojsa; Afseth, Nils Kristian; Ofstad, Ragni; Hassani, Sahar; Kohler, Achim

2013-05-01

In this paper a combination of NIR spectroscopy and FTIR and Raman microspectroscopy was used to elucidate the effects of different salts (NaCl, KCl and MgSO(4)) on structural proteins and their hydration in muscle tissue. Multivariate multi-block technique Consensus Principal Component Analysis enabled integration of different vibrational spectroscopic techniques: macroscopic information obtained by NIR spectroscopy is directly related to microscopic information obtained by FTIR and Raman microspectroscopy. Changes in protein secondary structure observed at different concentrations of salts were linked to changes in protein hydration affinity. The evidence for this was given by connecting the underlying FTIR bands of the amide I region (1700-1600 cm(-1)) and the water region (3500-3000 cm(-1)) with water vibrations obtained by NIR spectroscopy. In addition, Raman microspectroscopy demonstrated that different cations affected structures of aromatic amino acid residues differently, which indicates that cation-π interactions play an important role in determination of the final structure of protein molecules. Copyright © 2012 Elsevier Ltd. All rights reserved.

Spectroscopic ellipsometry analysis of a thin film composite membrane consisting of polysulfone on a porous α-alumina support.

PubMed

Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck E

2012-02-01

Exposure of a thin polymer film to a fluid can affect properties of the film such as the density and thickness. In particular in membrane technology, these changes can have important implications for membrane performance. Spectroscopic ellipsometry is a convenient technique for in situ studies of thin films, because of its noninvasive character and very high precision. The applicability of spectroscopic ellipsometry is usually limited to samples with well-defined interfacial regions, whereas in typical composite membranes, often substantial and irregular intrusion of the thin film into the pores of a support exists. In this work, we provide a detailed characterization of a polished porous alumina membrane support, using variable-angle spectroscopic ellipsometry in combination with atomic force microscopy and mercury porosimetry. Two Spectroscopic ellipsometry optical models are presented that can adequately describe the surface roughness of the support. These models consider the surface roughness as a distinct layer in which the porosity gradually increases toward the outer ambient interface. The first model considers the porosity profile to be linear; the second model assumes an exponential profile. It is shown that the models can be extended to account for a composite membrane geometry, by deposition of a thin polysulfone film onto the support. The developed method facilitates practicability for in situ spectroscopic ellipsometry studies of nonequilibrium systems, i.e., membranes under actual permeation conditions.

Comparative spectroscopic analysis of urinary calculi inhibition by Larrea Tridentata infusion and NDGA chemical extract

NASA Astrophysics Data System (ADS)

Manciu, Felicia

2012-10-01

In the present comparative spectroscopic study we try to understand calcium oxalate kidney stone formation as well as its inhibition by using a traditional medicine approach with Larrea Tridentata (LT) herbal extracts and nordihydroguaiaretic acid (NDGA), which is a chemical extract of the LT bush. The samples were synthesized without and with LT or NDGA using a simplified single diffusion gel growth technique. While the use of infusion from LT decreases the sizes of calcium oxalate crystals and also changes their structure from monohydrate for pure crystals to dihydrate for crystals grown with different amounts of inhibitor, both Raman and infrared absorption spectroscopic techniques, which are the methods of analysis employed in this work, reveal that NDGA is not responsible for the change in the morphology of calcium oxalate crystals and does not contribute significantly to the inhibition process. The presence of NDGA slightly affects the structure of the crystals by modifying the strength of the C-C bonds as seen in the Raman data. Also, the current infrared absorption results demonstrate the presence of NDGA in the samples through a vibrational line that corresponds to the double bond between carbon atoms of the ester group of NDGA.

Studies of fission fragment yields via high-resolution γ-ray spectroscopy

NASA Astrophysics Data System (ADS)

Wilson, J. N.; Lebois, M.; Qi, L.; Amador-Celdran, P.; Bleuel, D.; Briz, J. A.; Carroll, R.; Catford, W.; Witte, H. De; Doherty, D. T.; Eloirdi, R.; Georgiev, G.; Gottardo, A.; Goasduff, A.; Hadyñska-Klek, K.; Hauschild, K.; Hess, H.; Ingeberg, V.; Konstantinopoulos, T.; Ljungvall, J.; Lopez-Martens, A.; Lorusso, G.; Lozeva, R.; Lutter, R.; Marini, P.; Matea, I.; Materna, T.; Mathieu, L.; Oberstedt, A.; Oberstedt, S.; Panebianco, S.; Podolyak, Zs.; Porta, A.; Regan, P. H.; Reiter, P.; Rezynkina, K.; Rose, S. J.; Sahin, E.; Seidlitz, M.; Serot, O.; Shearman, R.; Siebeck, B.; Siem, S.; Smith, A. G.; Tveten, G. M.; Verney, D.; Warr, N.; Zeiser, F.; Zielinska, M.

2018-03-01

Precise spectroscopic information on the fast neutron induced fission of the 238U(n,f) reaction was recently gained using a new technique which involved coupling of the Miniball high resolution y-ray spectrometer and the LICORNE directional neutron source. The experiment allowed measurement of the isotopic fission yields for around 40 even-even nuclei at an incident neutron energy of around 2 MeV where yield data are very sparse. In addition spectroscopic information on very neutron-rich fission products was obtained. Results were compared to models, both the JEFF-3.1.1 data base and the GEF code, and large discrepancies for the S1 fission mode in the Sn/Mo isotope pair were discovered. This suggests that current models are overestimating the role played by spherical shell effects in fast neutron induced fission. In late 2017 and 2018 the nu-ball hybrid spectrometer will be constructed at the IPN Orsay to perform further experimental investigations with directional neutrons coupled to a powerful hybrid Ge/LaBr3 detector array. This will open up new possibilities for measurements of fission yields for fast-neutron-induced fission using the spectroscopic technique and will be complimentary to other methods being developed.

High prevalence of complementary and alternative medicine use in patients with genetically proven mitochondrial disorders.

PubMed

Franik, Sebastian; Huidekoper, Hidde H; Visser, Gepke; de Vries, Maaike; de Boer, Lonneke; Hermans-Peters, Marion; Rodenburg, Richard; Verhaak, Chris; Vlieger, Arine M; Smeitink, Jan A M; Janssen, Mirian C H; Wortmann, Saskia B

2015-05-01

Despite major advances in understanding the pathophysiology of mitochondrial diseases, clinical management of these conditions remains largely supportive, and no effective treatment is available. We therefore assumed that the burden of disease combined with the lack of adequate treatment leaves open a big market for complementary and alternative medicine use. The objective of this study was to evaluate the use and perceived effectiveness of complementary and alternative medicine in children and adults with genetically proven mitochondrial disease. The reported use was surprisingly high, with 88% of children and 91% of adults having used some kind of complementary and alternative medicine in the last 2 years. Also, the mean cost of these treatments was impressive, being 489/year for children and 359/year for adult patients. Over-the-counter remedies (e.g., food supplements, homeopathy) and self-help techniques (e.g., Reiki, yoga) were the most frequently used complementary and alternative therapies in our cohort: 54% of children and 60% of adults reported the various complementary and alternative medicine therapies to be effective. Given the fact that currently no effective treatment exists, further research toward the different therapies is needed, as our study clearly demonstrates that such therapies are highly sought after by affected patients.

Application of golay complementary coded excitation schemes for non-destructive testing of sandwich structures

NASA Astrophysics Data System (ADS)

Arora, Vanita; Mulaveesala, Ravibabu

2017-06-01

In recent years, InfraRed Thermography (IRT) has become a widely accepted non-destructive testing technique to evaluate the structural integrity of composite sandwich structures due to its full-field, remote, fast and in-service inspection capabilities. This paper presents a novel infrared thermographic approach named as Golay complementary coded thermal wave imaging is presented to detect disbonds in a sandwich structure having face sheets from Glass/Carbon Fibre Reinforced (GFR/CFR) laminates and core of the wooden block.

Ultra-High Resolution Spectroscopic Remote Sensing: A Microscope on Planetary Atmospheres

NASA Technical Reports Server (NTRS)

Kostiuk, Theodor

2010-01-01

Remote sensing of planetary atmospheres is not complete without studies of all levels of the atmosphere, including the dense cloudy- and haze filled troposphere, relatively clear and important stratosphere and the upper atmosphere, which are the first levels to experience the effects of solar radiation. High-resolution spectroscopy can provide valuable information on these regions of the atmosphere. Ultra-high spectral resolution studies can directly measure atmospheric winds, composition, temperature and non-thermal phenomena, which describe the physics and chemistry of the atmosphere. Spectroscopy in the middle to long infrared wavelengths can also probe levels where dust of haze limit measurements at shorter wavelength or can provide ambiguous results on atmospheric species abundances or winds. A spectroscopic technique in the middle infrared wavelengths analogous to a radio receiver. infrared heterodyne spectroscopy [1], will be describe and used to illustrate the detailed study of atmospheric phenomena not readily possible with other methods. The heterodyne spectral resolution with resolving power greater than 1,000.000 measures the true line shapes of emission and absorption lines in planetary atmospheres. The information on the region of line formation is contained in the line shapes. The absolute frequency of the lines can be measured to I part in 100 ,000,000 and can be used to accurately measure the Doppler frequency shift of the lines, directly measuring the line-of-sight velocity of the gas to --Im/s precision (winds). The technical and analytical methods developed and used to measure and analyze infrared heterodyne measurements will be described. Examples of studies on Titan, Venus, Mars, Earth, and Jupiter will be presented. 'These include atmospheric dynamics on slowly rotating bodies (Titan [2] and Venus [3] and temperature, composition and chemistry on Mars 141, Venus and Earth. The discovery and studies of unique atmospheric phenomena will also be described, such as non-thermal and lasing phenomena on Mars and Venus, mid-infrared aurora on Jupiter [5], and results of small body impacts on Jupiter [6]. The heterodyne technique can also be applied for detailed study of the Earth's stratosphere and mesosphere by measuring trace constituent abundances and temporal and spatial variability as well as winds, which provide information of transport. All ground-based measurements will be described as complementary and supporting studies for on-going and future space missions [7] (Mars Express, Venus Express, Cassini Huygens, JUNO, ExoMars Trace Gas Orbiter, and the Europa Jupiter System Mission, an Earth Science Venture Class missions), Proposed instrument and technology development for a space flight infrared heterodyne spectrometer will be described.

Portable device for generation of ultra-pure water vapor feeds

NASA Astrophysics Data System (ADS)

Velin, P.; Stenman, U.; Skoglundh, M.; Carlsson, P.-A.

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Portable device for generation of ultra-pure water vapor feeds.

PubMed

Velin, P; Stenman, U; Skoglundh, M; Carlsson, P-A

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Korea Institute for Advanced Study Value-Added Galaxy Catalog

NASA Astrophysics Data System (ADS)

Choi, Yun-Young; Han, Du-Hwan; Kim, Sungsoo S.

2010-12-01

We present the Korea Institute for Advanced Study Value-Added Galaxy Catalog (KIAS VAGC),a catalog of galaxies based on the Large Scale Structure (LSS) sample of New York University Value-Added Galaxy Catalog (NYU VAGC) Data Release 7. Our catalog supplements redshifts of 10,497 galaxies with 10 < r_{P} ≤ 17.6 (1455 with 10 < r_{P} ≤ 14.5) to the NYU VAGC LSS sample. Redshifts from various existing catalogs such as the Updated Zwicky Catalog, the IRAS Point Source Catalog Redshift Survey, the Third Reference Catalogue of Bright Galaxies, and the Two Degree Field Galaxy Redshift Survey have been put into the NYU VAGC photometric catalog. Our supplementation significantly improves spectroscopic completeness: the area covered by the spectroscopic sample with completeness higher than 95% increases from 2.119 to 1.737 sr.Our catalog also provides morphological types of all galaxies that are determined by the automated morphology classification scheme of Park & Choi (2005), and related parameters, together with fundamental photometry parameters supplied by the NYU VAGC. Our catalog contains matches to objects in the Max Planck for Astronomy (MPA) & Johns Hopkins University (JHU) spectrum measurements (Data Release 7). This new catalog, the KIAS VAGC, is complementary to the NYU VAGC and MPA-JHU catalog.

Interactions of oxytetracycline with a smectite clay: a spectroscopic study with molecular simulations.

PubMed

Aristilde, Ludmilla; Marichal, Claire; Miéhé-Brendlé, Jocelyne; Lanson, Bruno; Charlet, Laurent

2010-10-15

Binding of antibiotics to clay minerals can decrease both their physical and biological availability in soils. To elucidate the binding mechanisms of tetracycline antibiotics on smectite clays as a function of pH, we probed the interactions of oxytetracycline (OTC) with Na-montmorillonite (MONT) using X-ray diffraction (XRD), infrared (IR), and solid-state nuclear magnetic resonance (NMR) spectroscopies, and Monte Carlo molecular simulations. The XRD patterns demonstrate the presence of OTC in the MONT interlayer space at acidic pH whereas complexation of OTC by external basal and edge sites seems to prevail at pH 8. At both pH, the (1)H-(13)C NMR profile indicates restricted mobility of the adsorbed OTC species; and, -CH(3) deformation and C-N stretching IR vibration bands confirm a binding mechanism involving the protonated dimethylamino group of OTC. Changes in the (23)Na NMR environments are consistent with cation-exchange and cation complexation reactions at the different sites of adsorption. Molecular simulations indicate that MONT interlayer spacing and structural charge localization dictate favorable binding conformations of the intercalated OTC, facilitating multiple interactions in agreement with the spectroscopic data. Our results present complementary insights into the mechanisms of adsorption of TETs on smectites important for their retention in natural and engineered soil environments.

Virtual scanning tunneling microscopy: A local spectroscopic probe of two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Sciambi, A.; Pelliccione, M.; Bank, S. R.; Gossard, A. C.; Goldhaber-Gordon, D.

2010-09-01

We propose a probe technique capable of performing local low-temperature spectroscopy on a two-dimensional electron system (2DES) in a semiconductor heterostructure. Motivated by predicted spatially-structured electron phases, the probe uses a charged metal tip to induce electrons to tunnel locally, directly below the tip, from a "probe" 2DES to a "subject" 2DES of interest. We test this concept with large-area (nonscanning) tunneling measurements, and predict a high spatial resolution and spectroscopic capability, with minimal influence on the physics in the subject 2DES.

Pilot Study to Confirm that Fat and Liver can be Distinguished by Spectroscopic Tissue Response on a Medipix-All-Resolution System-CT (MARS-CT)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berg, Kyra B.; Anderson, Nigel G.; Butler, Alexandra P.

2009-07-23

NAFLD, liver component of the 'metabolic' syndrome, has become the most common liver disease in western nations. Non-invasive imaging techniques exist, but have limitations, especially in detection and quantification of mild to moderate fatty liver. In this pilot study, we produced attenuation curves from biomedical-quality projection images of liver and fat using the MARS spectroscopic-CT scanner. Difficulties obtaining attenuation spectra after reconstruction demonstrated that standard reconstruction programs do not preserve spectral information.

Pilot Study to Confirm that Fat and Liver can be Distinguished by Spectroscopic Tissue Response on a Medipix-All-Resolution System-CT (MARS-CT)

NASA Astrophysics Data System (ADS)

Berg, Kyra B.; Carr, James M.; Clark, Michael J.; Cook, Nick J.; Anderson, Nigel G.; Scott, Nicola J.; Butler, Alexandra P.; Butler, Philip H.; Butler, Anthony P.

2009-07-01

NAFLD, liver component of the "metabolic" syndrome, has become the most common liver disease in western nations. Non-invasive imaging techniques exist, but have limitations, especially in detection and quantification of mild to moderate fatty liver. In this pilot study, we produced attenuation curves from biomedical-quality projection images of liver and fat using the MARS spectroscopic-CT scanner. Difficulties obtaining attenuation spectra after reconstruction demonstrated that standard reconstruction programs do not preserve spectral information.

VizieR Online Data Catalog: Luminous of high-z QSOs with SDSS and WISE. II (Yang+, 2016)

NASA Astrophysics Data System (ADS)

Yang, J.; Wang, F.; Wu, X.-B.; Fan, X.; McGreer, I. D.; Bian, F.; Yi, W.; Yang, Q.; Ai, Y.; Dong, X.; Zuo, W.; Green, R.; Jiang, L.; Wang, S.; Wang, R.; Yue, M.

2018-03-01

Our SDSS+WISE selection technique and spectroscopic follow-up observations were discussed in detail in Wang et al. (2016, Cat. J/ApJ/819/24). Our spectroscopic follow-up campaign started in 2013 October with the Lijiang 2.4m telescope (LJT) and Xinglong 2.16m telescope in China, the Kitt Peak 2.3m Bok telescope and 6.5m MMT telescope in the U.S., as well as the 2.3m ANU telescope in Australia. (1 data file).

Sensitivity analysis of hybrid thermoelastic techniques

Treesearch

W.A. Samad; J.M. Considine

2017-01-01

Stress functions have been used as a complementary tool to support experimental techniques, such as thermoelastic stress analysis (TSA) and digital image correlation (DIC), in an effort to evaluate the complete and separate full-field stresses of loaded structures. The need for such coupling between experimental data and stress functions is due to the fact that...

If Trees Would Talk: The Communication of Resistance in Ex-Slave Narratives. Working Paper.

ERIC Educational Resources Information Center

Clift, Arlene L.

Examples drawn from books and interviews of blacks reveal techniques of oral and literate communication both during and after slavery. These techniques fall into two complementary categories: communication as surreptitious resistance and communication about overt resisters. Surreptitious communication occurred through the use of code words which…

Predictive spectroscopy and chemical imaging based on novel optical systems

NASA Astrophysics Data System (ADS)

Nelson, Matthew Paul

1998-10-01

This thesis describes two futuristic optical systems designed to surpass contemporary spectroscopic methods for predictive spectroscopy and chemical imaging. These systems are advantageous to current techniques in a number of ways including lower cost, enhanced portability, shorter analysis time, and improved S/N. First, a novel optical approach to predicting chemical and physical properties based on principal component analysis (PCA) is proposed and evaluated. A regression vector produced by PCA is designed into the structure of a set of paired optical filters. Light passing through the paired filters produces an analog detector signal directly proportional to the chemical/physical property for which the regression vector was designed. Second, a novel optical system is described which takes a single-shot approach to chemical imaging with high spectroscopic resolution using a dimension-reduction fiber-optic array. Images are focused onto a two- dimensional matrix of optical fibers which are drawn into a linear distal array with specific ordering. The distal end is imaged with a spectrograph equipped with an ICCD camera for spectral analysis. Software is used to extract the spatial/spectral information contained in the ICCD images and deconvolute them into wave length-specific reconstructed images or position-specific spectra which span a multi-wavelength space. This thesis includes a description of the fabrication of two dimension-reduction arrays as well as an evaluation of the system for spatial and spectral resolution, throughput, image brightness, resolving power, depth of focus, and channel cross-talk. PCA is performed on the images by treating rows of the ICCD images as spectra and plotting the scores of each PC as a function of reconstruction position. In addition, iterative target transformation factor analysis (ITTFA) is performed on the spectroscopic images to generate ``true'' chemical maps of samples. Univariate zero-order images, univariate first-order spectroscopic images, bivariate first-order spectroscopic images, and multivariate first-order spectroscopic images of the temporal development of laser-induced plumes are presented and interpreted. Reconstructed chemical images generated using bivariate and trivariate wavelength techniques, bimodal and trimodal PCA methods, and bimodal and trimodal ITTFA approaches are also included.

Applicability of active infrared thermography for screening of human breast: a numerical study.

PubMed

Dua, Geetika; Mulaveesala, Ravibabu

2018-03-01

Active infrared thermography is a fast, painless, noncontact, and noninvasive imaging method, complementary to mammography, ultrasound, and magnetic resonance imaging methods for early diagnosis of breast cancer. This technique plays an important role in early detection of breast cancer to women of all ages, including pregnant or nursing women, with different sizes of breast, irrespective of either fatty or dense breast. This proposed complementary technique makes use of infrared emission emanating from the breast. Emanating radiations from the surface of the breast under test are detected with an infrared camera to map the thermal gradients over it, in order to reveal hidden tumors inside it. One of the reliable active infrared thermographic technique, linear frequency modulated thermal wave imaging is adopted to detect tumors present inside the breast. Further, phase and amplitude images are constructed using frequency and time-domain data analysis schemes. Obtained results show the potential of the proposed technique for early diagnosis of breast cancer in fatty as well as dense breasts. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Machine learning techniques for medical diagnosis of diabetes using iris images.

PubMed

Samant, Piyush; Agarwal, Ravinder

2018-04-01

Complementary and alternative medicine techniques have shown their potential for the treatment and diagnosis of chronical diseases like diabetes, arthritis etc. On the same time digital image processing techniques for disease diagnosis is reliable and fastest growing field in biomedical. Proposed model is an attempt to evaluate diagnostic validity of an old complementary and alternative medicine technique, iridology for diagnosis of type-2 diabetes using soft computing methods. Investigation was performed over a close group of total 338 subjects (180 diabetic and 158 non-diabetic). Infra-red images of both the eyes were captured simultaneously. The region of interest from the iris image was cropped as zone corresponds to the position of pancreas organ according to the iridology chart. Statistical, texture and discrete wavelength transformation features were extracted from the region of interest. The results show best classification accuracy of 89.63% calculated from RF classifier. Maximum specificity and sensitivity were absorbed as 0.9687 and 0.988, respectively. Results have revealed the effectiveness and diagnostic significance of proposed model for non-invasive and automatic diabetes diagnosis. Copyright © 2018 Elsevier B.V. All rights reserved.

EBIT spectroscopy of highly charged heavy ions relevant to hot plasmas

NASA Astrophysics Data System (ADS)

Nakamura, Nobuyuki

2013-05-01

An electron beam ion trap (EBIT) is a versatile device for studying highly charged ions. We have been using two types of EBITs for the spectroscopic studies of highly charged ions. One is a high-energy device called the Tokyo-EBIT, and another is a compact low-energy device called CoBIT. Complementary use of them enables us to obtain spectroscopic data for ions over a wide charge-state range interacting with electrons over a wide energy range. In this talk, we present EBIT spectra of highly charged ions for tungsten, iron, bismuth, etc., which are relevant to hot plasmas. Tungsten is considered to be the main impurity in the ITER (the next generation nuclear fusion reactor) plasma, and thus its emission lines are important for diagnosing and controlling the ITER plasma. We have observed many previously unreported lines to supply the lack of spectroscopic data of tungsten ions. Iron is one of the main components of the solar corona, and its spectra are used to diagnose temperature, density, etc. The diagnostics is usually done by comparing observed spectra with model calculations. An EBIT can provide spectra under a well-defined condition; they are thus useful to test the model calculations. Laser-produced bismuth plasma is one of the candidates for a soft x-ray source in the water window region. An EBIT has a narrow charge state distribution; it is thus useful to disentangle the spectra of laser-produced plasma containing ions with a wide charge-state range. Performed with the support and under the auspices of the NIFS Collaboration Research program (NIFS09KOAJ003) and JSPS KAKENHI Number 23246165, and partly supported by the JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics.

Backscattered helium spectroscopy in the helium ion microscope: Principles, resolution and applications

NASA Astrophysics Data System (ADS)

van Gastel, R.; Hlawacek, G.; Dutta, S.; Poelsema, B.

2015-02-01

We demonstrate the possibilities and limitations for microstructure characterization using backscattered particles from a sharply focused helium ion beam. The interaction of helium ions with matter enables the imaging, spectroscopic characterization, as well as the nanometer scale modification of samples. The contrast that is seen in helium ion microscopy (HIM) images differs from that in scanning electron microscopy (SEM) and is generally a result of the higher surface sensitivity of the method. It allows, for instance, a much better visualization of low-Z materials as a result of the small secondary electron escape depth. However, the same differences in beam interaction that give HIM an edge over other imaging techniques, also impose limitations for spectroscopic applications using backscattered particles. Here we quantify those limitations and discuss opportunities to further improve the technique.

Dose verification of eye plaque brachytherapy using spectroscopic dosimetry.

PubMed

Jarema, T; Cutajar, D; Weaver, M; Petasecca, M; Lerch, M; Kejda, A; Rosenfeld, A

2016-09-01

Eye plaque brachytherapy has been developed and refined for the last 80 years, demonstrating effective results in the treatment of ocular malignancies. Current dosimetry techniques for eye plaque brachytherapy (such as TLD- and film-based techniques) are time consuming and cannot be used prior to treatment in a sterile environment. The measurement of the expected dose distribution within the eye, prior to insertion within the clinical setting, would be advantageous, as any errors in source loading will lead to an erroneous dose distribution and inferior treatment outcomes. This study investigated the use of spectroscopic dosimetry techniques for real-time quality assurance of I-125 based eye plaques, immediately prior to insertion. A silicon detector based probe, operating in spectroscopy mode was constructed, containing a small (1 mm(3)) silicon detector, mounted within a ceramic holder, all encapsulated within a rubber sheath to prevent water infiltration of the electronics. Preliminary tests of the prototype demonstrated that the depth dose distribution through the central axis of an I-125 based eye plaque may be determined from AAPM Task Group 43 recommendations to a deviation of 6 % at 3 mm depth, 7 % at 5 mm depth, 1 % at 10 mm depth and 13 % at 20 mm depth, with the deviations attributed to the construction of the probe. A new probe design aims to reduce these discrepancies, however the concept of spectroscopic dosimetry shows great promise for use in eye plaque quality assurance in the clinical setting.

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

PubMed

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

2015-09-05

Definitive identification of microorganisms, including pathogenic and non-pathogenic bacteria, is extremely important for a wide variety of applications including food safety, environmental studies, bio-terrorism threats, microbial forensics, criminal investigations and above all disease diagnosis. Although extremely powerful techniques such as those based on PCR and microarrays exist, they require sophisticated laboratory facilities along with elaborate sample preparation by trained researchers. Among different spectroscopic techniques, FTIR was used in the 1980s and 90s for bacterial identification. In the present study five species of Bacillus were isolated from the aerobic predigester chamber of Nisargruna Biogas Plant (NBP) and were identified to the species level by biochemical and molecular biological (16S ribosomal DNA sequence) methods. Those organisms were further checked by solid state spectroscopic absorbance measurements using a wide range of electromagnetic radiation (wavelength 200 nm to 25,000 nm) encompassing UV, visible, near Infrared and Infrared regions. UV-Vis and NIR spectroscopy was performed on dried bacterial cell suspension on silicon wafer in specular mode while FTIR was performed on KBr pellets containing the bacterial cells. Consistent and reproducible species specific spectra were obtained and sensitivity up to a level of 1000 cells was observed in FTIR with a DTGS detector. This clearly shows the potential of solid state spectroscopic techniques for simple, easy to implement, reliable and sensitive detection of bacteria from environmental samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Application of optical spectroscopic techniques for disease diagnosis

NASA Astrophysics Data System (ADS)

Saha, Anushree

Optical spectroscopy, a truly non-invasive tool for remote diagnostics, is capable of providing valuable information on the structure and function of molecules. However, most spectroscopic techniques suffer from drawbacks, which limit their application. As a part of my dissertation work, I have developed theoretical and experimental methods to address the above mentioned issues. I have successfully applied these methods for monitoring the physical, chemical and biochemical parameters of biomolecules involved in some specific life threatening diseases like lead poisoning and age-related macular degeneration (AMD). I presented optical studies of melanosomes, which are one of the vital organelles in the human eye, also known to be responsible for a disease called age-related macular degeneration (AMD), a condition of advanced degeneration which causes progressive blindness. I used Raman spectroscopy, to first chemically identify the composition of melanosome, and then monitor the changes in its functional and chemical behavior due to long term exposure to visible light. The above study, apart from explaining the role of melanosomes in AMD, also sets the threshold power for lasers used in surgeries and other clinical applications. In the second part of my dissertation, a battery of spectroscopic techniques was successfully applied to explore the different binding sites of lead ions with the most abundant carrier protein molecule in our circulatory system, human serum albumin. I applied optical spectroscopic tools for ultrasensitive detection of heavy metal ions in solution which can also be used for lead detection at a very early stage of lead poisoning. Apart from this, I used Raman microspectroscopy to study the chemical alteration occurring inside a prostate cancer cell as a result of a treatment with a low concentrated aqueous extract of a prospective drug, Nerium Oleander. The experimental methods used in this study has tremendous potential for clinical application and will gain widespread acceptance within next few years from bench to bedside as an inexpensive and non-invasive tool compared to the other technologies.

SU-E-J-197: A Novel Optical Interstitial Fiber Spectroscopic System for Real-Time Tissue Micro-Vascular Hemodynamics Monitoring.

PubMed

Zhao, D; Campos, D; Yan, Y; Kimple, R; Jacques, S; van der Kogel, A; Kissick, M

2012-06-01

To demonstrate a novel interstitial optical fiber spectroscopic system, based on diffuse optical spectroscopies with spectral fitting, for the simultaneous monitoring of tumor blood volume and oxygen tension. The technique provides real-time, minimally-invasive and quantification of tissue micro-vascular hemodynamics. An optical fiber prototype probe characterizesthe optical transport in tissue between two large Numerical Aperture (NA) fibers of 200μm core diameter (BFH37-200, ThorLabs) spaced 3-mm apart. Two 21-Ga medical needles are used to protect fiber ends and to facilitate tissue penetration with minimum local blunt trauma in nude mice with xenografts. A 20W white light source (HL-2000-HP, Ocean Optics) is coupled to one fiber with SMA adapter. The other fiber is used to collect light, which is coupled into the spectrometer (QE65000 with Spectrasuite Operating software and OmniDriver, Ocean Optics). The wavelength response of the probe depends on the wavelength dependence of the light source, and of the light signal collection that includes considerable scatter, modeled with Monte-Carlo techniques (S. Jacques 2010 J. of Innov. Opt. Health Sci. 2 123-9). Measured spectra of tissue are normalized by a measured spectrum of a white standard, yielding the transmission spectrum. A head-and-neck xenograft on the flank of a live mouse is used for development. The optical fiber probe delivers and collects light at an arbitrary depth in the tumor. By spectral fitting of the measured transmission spectrum, an analysis of blood volume and oxygen tension is obtained from the fitting parameters in real time. A newly developed optical fiber spectroscopic system with an optical fiber probe takes spectroscopic techniques to a much deeper level in a tumor, which has potential applications for real-time monitoring hypoxic cell population dynamics for an eventual adaptive therapy metric of particular use in hypofractionated radiotherapy. © 2012 American Association of Physicists in Medicine.

Rainbows, polarization, and the search for habitable planets.

PubMed

Bailey, Jeremy

2007-04-01

Current proposals for the characterization of extrasolar terrestrial planets rest primarily on the use of spectroscopic techniques. While spectroscopy is effective in detecting the gaseous components of a planet's atmosphere, it provides no way of detecting the presence of liquid water, the defining characteristic of a habitable planet. In this paper, I investigate the potential of an alternative technique for characterizing the atmosphere of a planet using polarization. By looking for a polarization peak at the "primary rainbow" scattering angle, it is possible to detect the presence of liquid droplets in a planet's atmosphere and constrain the nature of the liquid through its refractive index. Single scattering calculations are presented to show that a well-defined rainbow scattering peak is present over the full range of likely cloud droplet sizes and clearly distinguishes the presence of liquid droplets from solid particles such as ice or dust. Rainbow scattering has been used in the past to determine the nature of the cloud droplets in the Venus atmosphere and by the POLarization and Directionality of Earth Reflectances (POLDER) instrument to distinguish between liquid and ice clouds in the Earth atmosphere. While the presence of liquid water clouds does not guarantee the presence of water at the surface, this technique could complement spectroscopic techniques for characterizing the atmospheres of potential habitable planets. The disk-integrated rainbow peak for Earth is estimated to be at a degree of polarization of 12.7% or 15.5% for two different cloud cover scenarios. The observation of this rainbow peak is shown to be feasible with the proposed Terrestrial Planet Finder Coronograph mission in similar total integration times to those required for spectroscopic characterization.

Symplocin A, a Linear Peptide from the Bahamian Cyanobacterium Symploca sp. Configurational Analysis of N,N-Dimethylamino Acids by Chiral-Phase HPLC of Naphthacyl Esters†

PubMed Central

Molinski, Tadeusz F.; Reynolds, Kirk A.; Morinaka, Brandon I.

2012-01-01

The absolute stereostructures of the components of symplocin A (3), a new N,N-dimethyl-terminated peptide from the Bahamian cyanobacterium, Symploca sp., were assigned from spectroscopic analysis, including MS and 2D NMR and Marfey’s analysis. The complete absolute configuration of symplocin A, including the unexpected D-configurations of the terminal N,N-dimethylisoleucine and valic acid residues, were assigned by chiral-phase HPLC of the corresponding 2-naphthacyl esters, a highly sensitive, complementary strategy for assignment of N-blocked peptide residues where Marfey’s method is ineffectual, or other methods fall short. Symplocin A exhibited potent activity as an inhibitor of cathepsin E (IC50 300 pM). PMID:22360587

Phenomenological Modeling of Infrared Sources: Recent Advances

NASA Technical Reports Server (NTRS)

Leung, Chun Ming; Kwok, Sun (Editor)

1993-01-01

Infrared observations from planned space facilities (e.g., ISO (Infrared Space Observatory), SIRTF (Space Infrared Telescope Facility)) will yield a large and uniform sample of high-quality data from both photometric and spectroscopic measurements. To maximize the scientific returns of these space missions, complementary theoretical studies must be undertaken to interpret these observations. A crucial step in such studies is the construction of phenomenological models in which we parameterize the observed radiation characteristics in terms of the physical source properties. In the last decade, models with increasing degree of physical realism (in terms of grain properties, physical processes, and source geometry) have been constructed for infrared sources. Here we review current capabilities available in the phenomenological modeling of infrared sources and discuss briefly directions for future research in this area.

Determination of Lande gJ - factors of La I levels using laser spectroscopic methods: Complementary investigations

NASA Astrophysics Data System (ADS)

Sobolewski, Ł. M.; Windholz, L.; Kwela, J.

2017-11-01

Laser Induced Fluorescence Spectroscopy (LIF) and Optogalvanic Spectroscopy (OG) were used for the investigation of the Zeeman hyperfine structures of 26 spectral lines of La I in the wavelength range between 569.7 and 665.4 nm. As a source of free La atoms a hollow cathode discharge lamp was used. The spectra were recorded in the presence of a magnetic field of about 800G produced by a permanent magnet for two linear polarizations of the exciting laser light. As a result of the study, we determined for the first time the Landé gJ- factors of 20 levels of La I. For several other levels the Landé gJ- factors were re-investigated and determined with higher precision.

Reiki therapy: a nursing intervention for critical care.

PubMed

Toms, Robin

2011-01-01

Complementary and alternative medicine (CAM) is not generally associated with the complexity and intensity of critical care. Most CAM therapies involve slow, calming techniques that seem to be in direct contrast with the fast-paced, highly technical nature of critical care. However, patients in critical care often find themselves coping with the pain and stress of their illness exacerbated by the stress of the critical care environment. Complementary and alternative medicine-related research reveals that complementary therapies, such as Reiki, relieve pain and anxiety and reduce symptoms of stress such as elevated blood pressure and pulse rates. Patients and health care professionals alike have become increasingly interested in complementary and alternative therapies that do not rely on expensive, invasive technology, and are holistic in focus. Reiki is cost-effective, noninvasive, and can easily be incorporated into patient care. The purpose of this article is to examine the science of Reiki therapy and to explore Reiki as a valuable nursing intervention.

Thermal properties measurements in biodiesel oils using photothermal techniques

NASA Astrophysics Data System (ADS)

Castro, M. P. P.; Andrade, A. A.; Franco, R. W. A.; Miranda, P. C. M. L.; Sthel, M.; Vargas, H.; Constantino, R.; Baesso, M. L.

2005-08-01

In this Letter, thermal lens and open cell photoacoustic techniques are used to measure the thermal properties of biodiesel oils. The absolute values of the thermal effusivity, thermal diffusivity, thermal conductivity and the temperature coefficient of the refractive index were determined for samples obtained from soy, castor bean, sunflower and turnip. The results suggest that the employed techniques may be useful as complementary methods for biodiesel certification.

Interstellar problems and matrix solutions

NASA Technical Reports Server (NTRS)

Allamandola, Louis J.

1987-01-01

The application of the matrix isolation technique to interstellar problems is described. Following a brief discussion of the interstellar medium (ISM), three areas are reviewed in which matrix experiments are particularly well suited to contribute the information which is sorely needed to further understanding of the ISM. The first involves the measurement of the spectroscopic properties of reactive species. The second is the determination of reaction rates and the elucidation of reaction pathways involving atoms, radicals, and ions which are likely to interact on grain surfaces and in grain mantles. The third entails the determiantion of the spectroscopic, photochemical, and photophysical properties of interstellar and cometary ice analogs. Significant, but limited, progress has been made in these three areas, and a tremendous amount of work is required to fully address the variety of unique chemical and spectroscopic questions posed by the astronomical observations.

Detection of target-probe oligonucleotide hybridization using synthetic nanopore resistive pulse sensing.

PubMed

Booth, Marsilea Adela; Vogel, Robert; Curran, James M; Harbison, SallyAnn; Travas-Sejdic, Jadranka

2013-07-15

Despite the plethora of DNA sensor platforms available, a portable, sensitive, selective and economic sensor able to rival current fluorescence-based techniques would find use in many applications. In this research, probe oligonucleotide-grafted particles are used to detect target DNA in solution through a resistive pulse nanopore detection technique. Using carbodiimide chemistry, functionalized probe DNA strands are attached to carboxylated dextran-based magnetic particles. Subsequent incubation with complementary target DNA yields a change in surface properties as the two DNA strands hybridize. Particle-by-particle analysis with resistive pulse sensing is performed to detect these changes. A variable pressure method allows identification of changes in the surface charge of particles. As proof-of-principle, we demonstrate that target hybridization is selectively detected at micromolar concentrations (nanomoles of target) using resistive pulse sensing, confirmed by fluorescence and phase analysis light scattering as complementary techniques. The advantages, feasibility and limitations of using resistive pulse sensing for sample analysis are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Atomic characterization of Si nanoclusters embedded in SiO2 by atom probe tomography

PubMed Central

2011-01-01

Silicon nanoclusters are of prime interest for new generation of optoelectronic and microelectronics components. Physical properties (light emission, carrier storage...) of systems using such nanoclusters are strongly dependent on nanostructural characteristics. These characteristics (size, composition, distribution, and interface nature) are until now obtained using conventional high-resolution analytic methods, such as high-resolution transmission electron microscopy, EFTEM, or EELS. In this article, a complementary technique, the atom probe tomography, was used for studying a multilayer (ML) system containing silicon clusters. Such a technique and its analysis give information on the structure at the atomic level and allow obtaining complementary information with respect to other techniques. A description of the different steps for such analysis: sample preparation, atom probe analysis, and data treatment are detailed. An atomic scale description of the Si nanoclusters/SiO2 ML will be fully described. This system is composed of 3.8-nm-thick SiO layers and 4-nm-thick SiO2 layers annealed 1 h at 900°C. PMID:21711666

Electron-beam-induced-current and active secondary-electron voltage-contrast with aberration-corrected electron probes

DOE PAGES

Han, Myung-Geun; Garlow, Joseph A.; Marshall, Matthew S. J.; ...

2017-03-23

The ability to map out electrostatic potentials in materials is critical for the development and the design of nanoscale electronic and spintronic devices in modern industry. Electron holography has been an important tool for revealing electric and magnetic field distributions in microelectronics and magnetic-based memory devices, however, its utility is hindered by several practical constraints, such as charging artifacts and limitations in sensitivity and in field of view. In this article, we report electron-beam-induced-current (EBIC) and secondary-electron voltage-contrast (SE-VC) with an aberration-corrected electron probe in a transmission electron microscope (TEM), as complementary techniques to electron holography, to measure electric fieldsmore » and surface potentials, respectively. These two techniques were applied to ferroelectric thin films, multiferroic nanowires, and single crystals. Electrostatic potential maps obtained by off-axis electron holography were compared with EBIC and SE-VC to show that these techniques can be used as a complementary approach to validate quantitative results obtained from electron holography analysis.« less

Time-frequency analysis in optical coherence tomography for technical objects examination

NASA Astrophysics Data System (ADS)

StrÄ kowski, Marcin R.; Kraszewski, Maciej; Trojanowski, Michał; Pluciński, Jerzy

2014-05-01

Optical coherence tomography (OCT) is one of the most advanced optical measurement techniques for complex structure visualization. The advantages of OCT have been used for surface and subsurface defect detection in composite materials, polymers, ceramics, non-metallic protective coatings, and many more. Our research activity has been focused on timefrequency spectroscopic analysis in OCT. It is based on time resolved spectral analysis of the backscattered optical signal delivered by the OCT. The time-frequency method gives spectral characteristic of optical radiation backscattered or backreflected from the particular points inside the tested device. This provides more information about the sample, which are useful for further analysis. Nowadays, the applications of spectroscopic analysis for composite layers characterization or tissue recognition have been reported. During our studies we have found new applications of spectroscopic analysis. We have used this method for thickness estimation of thin films, which are under the resolution of OCT. Also, we have combined the spectroscopic analysis with polarization sensitive OCT (PS-OCT). This approach enables to obtain a multiorder retardation value directly and may become a breakthrough in PS-OCT measurements of highly birefringent media. In this work, we present the time-frequency spectroscopic algorithms and their applications for OCT. Also, the theoretical simulations and measurement validation of this method are shown.

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

PubMed

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

2018-01-01

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

Quality evaluation of fish and other seafood by traditional and nondestructive instrumental methods: Advantages and limitations.

PubMed

Hassoun, Abdo; Karoui, Romdhane

2017-06-13

Although being one of the most vulnerable and perishable products, fish and other seafoods provide a wide range of health-promoting compounds. Recently, the growing interest of consumers in food quality and safety issues has contributed to the increasing demand for sensitive and rapid analytical technologies. Several traditional physicochemical, textural, sensory, and electrical methods have been used to evaluate freshness and authentication of fish and other seafood products. Despite the importance of these standard methods, they are expensive and time-consuming, and often susceptible to large sources of variation. Recently, spectroscopic methods and other emerging techniques have shown great potential due to speed of analysis, minimal sample preparation, high repeatability, low cost, and, most of all, the fact that these techniques are noninvasive and nondestructive and, therefore, could be applied to any online monitoring system. This review describes firstly and briefly the basic principles of multivariate data analysis, followed by the most commonly traditional methods used for the determination of the freshness and authenticity of fish and other seafood products. A special focus is put on the use of rapid and nondestructive techniques (spectroscopic techniques and instrumental sensors) to address several issues related to the quality of these products. Moreover, the advantages and limitations of each technique are reviewed and some perspectives are also given.

Semi-quantitative prediction of a multiple API solid dosage form with a combination of vibrational spectroscopy methods.

PubMed

Hertrampf, A; Sousa, R M; Menezes, J C; Herdling, T

2016-05-30

Quality control (QC) in the pharmaceutical industry is a key activity in ensuring medicines have the required quality, safety and efficacy for their intended use. QC departments at pharmaceutical companies are responsible for all release testing of final products but also all incoming raw materials. Near-infrared spectroscopy (NIRS) and Raman spectroscopy are important techniques for fast and accurate identification and qualification of pharmaceutical samples. Tablets containing two different active pharmaceutical ingredients (API) [bisoprolol, hydrochlorothiazide] in different commercially available dosages were analysed using Raman- and NIR Spectroscopy. The goal was to define multivariate models based on each vibrational spectroscopy to discriminate between different dosages (identity) and predict their dosage (semi-quantitative). Furthermore the combination of spectroscopic techniques was investigated. Therefore, two different multiblock techniques based on PLS have been applied: multiblock PLS (MB-PLS) and sequential-orthogonalised PLS (SO-PLS). NIRS showed better results compared to Raman spectroscopy for both identification and quantitation. The multiblock techniques investigated showed that each spectroscopy contains information not present or captured with the other spectroscopic technique, thus demonstrating that there is a potential benefit in their combined use for both identification and quantitation purposes. Copyright © 2016 Elsevier B.V. All rights reserved.

The fifth solvatomorph of gallic acid with a supramolecular channel structure: Structural complexity and phase transitions

NASA Astrophysics Data System (ADS)

Thomas, Sajesh P.; Kaur, Ramanpreet; Kaur, Jassjot; Sankolli, Ravish; Nayak, Susanta K.; Guru Row, Tayur N.

2013-01-01

A new solvatomorph of gallic acid was generated using chiral additive technique and characterized by single crystal and powder X-ray diffraction, C-13 NMR, IR spectroscopic techniques and thermal analysis. The supramolecular channels formed by hexameric motifs of gallic acid and solvent molecules contain highly disordered solvent molecules with fractional occupancies.

Complementary and Alternative Medicine in the Treatment of Chronic Pelvic Pain in Women: What Is the Evidence?

PubMed

Paiva, Sara; Carneiro, Márcia Mendonça

2013-01-01

Chronic pelvic pain (CPP) is defined as pain of at least 6 months' duration that occurs in the lower abdomen or below the umbilicus and has resulted in functional or psychological disability or required intervention and treatment. Therapeutic interventions center around the treatment of CPP as a diagnosis in and of itself, and treatment of specific disorders that may be related to CPP. A multidisciplinary approach for diagnosis and treatment seems to be most effective for symptomatic relief. This paper reviews the evidence for such interventions as psychological treatments including the use of complementary and alternative medicine techniques for CPP in women. Unfortunately, finding the best evidence in this setting is difficult as only very few randomized controlled trials are available. A combination of treatments is usually required over time for the treatment of refractory CPP. The multifactorial nature of CPP needs to be discussed with the patient and a good rapport as well as a partnership needs to be developed to plan a management program with regular followup. Promotion of a multidisciplinary approach which includes complementary and alternative medicine techniques in managing CPP in women seems to yield the best results.

Development of sensing techniques for weaponry health monitoring

NASA Astrophysics Data System (ADS)

Edwards, Eugene; Ruffin, Paul B.; Walker, Ebonee A.; Brantley, Christina L.

2013-04-01

Due to the costliness of destructive evaluation methods for assessing the aging and shelf-life of missile and rocket components, the identification of nondestructive evaluation methods has become increasingly important to the Army. Verifying that there is a sufficient concentration of stabilizer is a dependable indicator that the missile's double-based solid propellant is viable. The research outlined in this paper summarizes the Army Aviation and Missile Research, Development, and Engineering Center's (AMRDEC's) comparative use of nanoporous membranes, carbon nanotubes, and optical spectroscopic configured sensing techniques for detecting degradation in rocket motor propellant. The first sensing technique utilizes a gas collecting chamber consisting of nanoporous structures that trap the smaller solid propellant particles for measurement by a gas analysis device. In collaboration with NASA-Ames, sensing methods are developed that utilize functionalized single-walled carbon nanotubes as the key sensing element. The optical spectroscopic sensing method is based on a unique light collecting optical fiber system designed to detect the concentration of the propellant stabilizer. Experimental setups, laboratory results, and overall effectiveness of each technique are presented in this paper. Expectations are for the three sensing mechanisms to provide nondestructive evaluation methods that will offer cost-savings and improved weaponry health monitoring.

Detection and Monitoring of Toxic Chemical at Ultra Trace Level by Utilizing Doped Nanomaterial

PubMed Central

Khan, Sher Bahadar; Rahman, Mohammed M.; Akhtar, Kalsoom; Asiri, Abdullah M.

2014-01-01

Composite nanoparticles were synthesized by eco-friendly hydrothermal process and characterized by different spectroscopic techniques. All the spectroscopic techniques suggested the synthesis of well crystalline optically active composite nanoparticles with average diameter of ∼30 nm. The synthesized nanoparticles were applied for the development of chemical sensor which was fabricated by coating the nanoparticles on silver electrode for the recognition of phthalimide using simple I–V technique. The developed sensor exhibited high sensitivity (1.7361 µA.mM−1.cm−2), lower detection limit (8.0 µM) and long range of detection (77.0 µM to 0.38 M). Further the resistances of composite nanoparticles based sensor was found to be 2.7 MΩ which change from 2.7 to 1.7 with change in phthalimide concentration. The major advantages of the designed sensor over existing sensors are its simple technique, low cost, lower detection limit, high sensitivity and long range of detection. It can detect phthalimide even at trace level and sense over wide range of concentrations. Therefore the composite nanoparticals would be a better choice for the fabrication of phthalimide chemical sensor and would be time and cost substituted implement for environmental safety. PMID:25329666

A rapid ATR-FTIR spectroscopic method for detection of sibutramine adulteration in tea and coffee based on hierarchical cluster and principal component analyses.

PubMed

Cebi, Nur; Yilmaz, Mustafa Tahsin; Sagdic, Osman

2017-08-15

Sibutramine may be illicitly included in herbal slimming foods and supplements marketed as "100% natural" to enhance weight loss. Considering public health and legal regulations, there is an urgent need for effective, rapid and reliable techniques to detect sibutramine in dietetic herbal foods, teas and dietary supplements. This research comprehensively explored, for the first time, detection of sibutramine in green tea, green coffee and mixed herbal tea using ATR-FTIR spectroscopic technique combined with chemometrics. Hierarchical cluster analysis and PCA principle component analysis techniques were employed in spectral range (2746-2656cm -1 ) for classification and discrimination through Euclidian distance and Ward's algorithm. Unadulterated and adulterated samples were classified and discriminated with respect to their sibutramine contents with perfect accuracy without any false prediction. The results suggest that existence of the active substance could be successfully determined at the levels in the range of 0.375-12mg in totally 1.75g of green tea, green coffee and mixed herbal tea by using FTIR-ATR technique combined with chemometrics. Copyright © 2017 Elsevier Ltd. All rights reserved.

Development of a spectroscopic technique for simultaneous magnetic field, electron density, and temperature measurements in ICF-relevant plasmas.

PubMed

Dutra, E C; Koch, J A; Presura, R; Angermeier, W A; Darling, T; Haque, S; Mancini, R C; Covington, A M

2016-11-01

Spectroscopic techniques in the visible range are often used in plasma experiments to measure B-field induced Zeeman splitting, electron densities via Stark broadening, and temperatures from Doppler broadening. However, when electron densities and temperatures are sufficiently high, the broadening of the Stark and Doppler components can dominate the emission spectra and obscure the Zeeman component. In this research, we are developing a time-resolved multi-axial technique for measuring the Zeeman, Stark, and Doppler broadened line emission of dense magnetized plasmas for Z-pinch and Dense Plasma Focus (DPF) accelerators. The line emission is used to calculate the electron densities, temperatures, and B-fields. In parallel, we are developing a line-shape modeling code that incorporates the broadening effects due to Stark, Doppler, and Zeeman effects for dense magnetized plasma. This manuscript presents the details of the experimental setup and line shape code, along with the results obtained from an Al iii doublet at the University of Nevada, Reno at Nevada Terawatt Facility. Future tests are planned to further evaluate the technique and modeling on other material wire array, gas puff, and DPF platforms.

Development of chip passivated monolithic complementary MISFET circuits with beam leads

NASA Technical Reports Server (NTRS)

Ragonese, L. J.; Kim, M. J.; Corrie, B. L.; Brouillette, J. W.; Warr, R. E.

1972-01-01

The results are presented of a program to demonstrate the processes for fabricating complementary MISFET beam-leaded circuits, which, potentially, are comparable in quality to available bipolar beam-lead chips that use silicon nitride passivation in conjunction with a platinum-titanium-gold metal system. Materials and techniques, different from the bipolar case, were used in order to be more compatible with the special requirements of fully passivated complementary MISFET devices. Two types of circuits were designed and fabricated, a D-flip-flop and a three-input NOR/NAND gate. Fifty beam-leaded chips of each type were constructed. A quality and reliability assurance program was performed to identify failure mechanisms. Sample tests and inspections (including destructive) were developed to measure the physical characteristics of the circuits.

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.

2018-03-01

Two 8-hydroxyquinoline derivatives, 5,7-dichloro-8-hydroxyquinoline (57DC8HQ) and 5-chloro-7-iodo-8-hydroxy quinoline (5CL7I8HQ) have been investigated in details by means of spectroscopic characterization and computational molecular modelling techniques. FT-IR and FT-Raman experimental spectroscopic approaches have been utilized in order to obtain detailed spectroscopic signatures of title compounds, while DFT calculations have been used in order to visualize and assign vibrations. The computed values of dipole moment, polarizability and hyperpolarizability indicate that the title molecules exhibit NLO properties. The evaluated HOMO and LUMO energies demonstrate the chemical stability of the molecules. NBO analysis is made to study the stability of the molecules arising from hyperconjugative interactions and charge delocalization. DFT calculations have been also used jointly with MD simulations in order to investigate in details global and local reactivity properties of title compounds. Also, molecular docking has been also used in order to investigate affinity of title compounds against decarboxylase inhibitor and quinoline derivatives can be a lead compounds for developing new antiparkinsonian drug.

SIproc: an open-source biomedical data processing platform for large hyperspectral images.

PubMed

Berisha, Sebastian; Chang, Shengyuan; Saki, Sam; Daeinejad, Davar; He, Ziqi; Mankar, Rupali; Mayerich, David

2017-04-10

There has recently been significant interest within the vibrational spectroscopy community to apply quantitative spectroscopic imaging techniques to histology and clinical diagnosis. However, many of the proposed methods require collecting spectroscopic images that have a similar region size and resolution to the corresponding histological images. Since spectroscopic images contain significantly more spectral samples than traditional histology, the resulting data sets can approach hundreds of gigabytes to terabytes in size. This makes them difficult to store and process, and the tools available to researchers for handling large spectroscopic data sets are limited. Fundamental mathematical tools, such as MATLAB, Octave, and SciPy, are extremely powerful but require that the data be stored in fast memory. This memory limitation becomes impractical for even modestly sized histological images, which can be hundreds of gigabytes in size. In this paper, we propose an open-source toolkit designed to perform out-of-core processing of hyperspectral images. By taking advantage of graphical processing unit (GPU) computing combined with adaptive data streaming, our software alleviates common workstation memory limitations while achieving better performance than existing applications.

A multiresolution approach for the convergence acceleration of multivariate curve resolution methods.

PubMed

Sawall, Mathias; Kubis, Christoph; Börner, Armin; Selent, Detlef; Neymeyr, Klaus

2015-09-03

Modern computerized spectroscopic instrumentation can result in high volumes of spectroscopic data. Such accurate measurements rise special computational challenges for multivariate curve resolution techniques since pure component factorizations are often solved via constrained minimization problems. The computational costs for these calculations rapidly grow with an increased time or frequency resolution of the spectral measurements. The key idea of this paper is to define for the given high-dimensional spectroscopic data a sequence of coarsened subproblems with reduced resolutions. The multiresolution algorithm first computes a pure component factorization for the coarsest problem with the lowest resolution. Then the factorization results are used as initial values for the next problem with a higher resolution. Good initial values result in a fast solution on the next refined level. This procedure is repeated and finally a factorization is determined for the highest level of resolution. The described multiresolution approach allows a considerable convergence acceleration. The computational procedure is analyzed and is tested for experimental spectroscopic data from the rhodium-catalyzed hydroformylation together with various soft and hard models. Copyright © 2015 Elsevier B.V. All rights reserved.

EEL spectroscopic tomography: towards a new dimension in nanomaterials analysis.

PubMed

Yedra, Lluís; Eljarrat, Alberto; Arenal, Raúl; Pellicer, Eva; Cabo, Moisés; López-Ortega, Alberto; Estrader, Marta; Sort, Jordi; Baró, Maria Dolors; Estradé, Sònia; Peiró, Francesca

2012-11-01

Electron tomography is a widely spread technique for recovering the three dimensional (3D) shape of nanostructured materials. Using a spectroscopic signal to achieve a reconstruction adds a fourth chemical dimension to the 3D structure. Up to date, energy filtering of the images in the transmission electron microscope (EFTEM) is the usual spectroscopic method even if most of the information in the spectrum is lost. Unlike EFTEM tomography, the use of electron energy-loss spectroscopy (EELS) spectrum images (SI) for tomographic reconstruction retains all chemical information, and the possibilities of this new approach still remain to be fully exploited. In this article we prove the feasibility of EEL spectroscopic tomography at low voltages (80 kV) and short acquisition times from data acquired using an aberration corrected instrument and data treatment by Multivariate Analysis (MVA), applied to Fe(x)Co((3-x))O(4)@Co(3)O(4) mesoporous materials. This approach provides a new scope into materials; the recovery of full EELS signal in 3D. Copyright © 2012 Elsevier B.V. All rights reserved.

Study of spectroscopic properties of nanosized particles of core-shell morphology

NASA Astrophysics Data System (ADS)

Bzhalava, T. N.; Kervalishvili, P. J.

2018-03-01

Method of studying spectroscopic properties of nanosized particles and estimation of resonance wavelength range for determination of specific and unique “spectral” signatures in purpose of sensing, identification of nanobioparticles, viruses is proposed. Elaboration of relevant models of viruses, estimation of spectral response on interaction of electromagnetic (EM) field and viral nanoparticle is the goal of proposed methodology. Core-shell physical model is used as the first approximation of shape-structure of virion. Theoretical solution of EM wave scattering on single spherical virus-like particle (VLP) is applied for determination of EM fields in the areas of core, shell and surrounding medium of (VLP), as well as scattering and absorption characteristics. Numerical results obtained by computer simulation for estimation of EM “spectra” of bacteriophage T7 demonstrate the strong dependence of spectroscopic characteristics on core-shell related electric and geometric parameters of VLP in resonance wavelengths range. Expected spectral response is observable on far-field characterizations. Obtained analytical EM field expressions, modelling technique in complement with experimental spectroscopic methods should be the way of providing the virus spectral signatures, important in bioparticles characterization.

ON THE INCORPORATION OF METALLICITY DATA INTO MEASUREMENTS OF STAR FORMATION HISTORY FROM RESOLVED STELLAR POPULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dolphin, Andrew E., E-mail: adolphin@raytheon.com

The combination of spectroscopic stellar metallicities and resolved star color–magnitude diagrams (CMDs) has the potential to constrain the entire star formation history (SFH) of a galaxy better than fitting CMDs alone (as is most common in SFH studies using resolved stellar populations). In this paper, two approaches to incorporating external metallicity information into CMD-fitting techniques are presented. Overall, the joint fitting of metallicity and CMD information can increase the precision of measured age–metallicity relationships (AMRs) and star formation rates by 10% over CMD fitting alone. However, systematics in stellar isochrones and mismatches between spectroscopic and photometric determinations of metallicity canmore » reduce the accuracy of the recovered SFHs. I present a simple mitigation of these systematics that can reduce their amplitude to the level obtained from CMD fitting alone, while ensuring that the AMR is consistent with spectroscopic metallicities. As is the case in CMD-fitting analysis, improved stellar models and calibrations between spectroscopic and photometric metallicities are currently the primary impediment to gains in SFH precision from jointly fitting stellar metallicities and CMDs.« less

Ft-Ir Spectroscopic Analysis of Potsherds Excavated from the First Settlement Layer of Kuriki Mound, Turkey

NASA Astrophysics Data System (ADS)

Bayazit, Murat; Isik, Iskender; Cereci, Sedat; Issi, Ali; Genc, Elif

The region covering Southeastern Anatolia takes place in upper Mesopotamia, so it has numerous cultural heritages due to its witness to various social movements of different civilizations in ancient times. Kuruki Mound is located on the junction point of Tigris River and Batman Creek, near Oymatas village which is almost 15 km to Batman, Turkey. The mound is dated back to Late Chalcolithic. Archaeological excavations are carried out on two hills named as “Kuriki Mound-1” and “Kuriki Mound-2” in which 4-layer and 2-layer settlements have been revealed, respectively. This region will be left under the water by the reservoir lake of Ilısu Dam when its construction is completed. Thus, characterization of ancient materials such as potsherds, metals and skeleton ruins should be rapidly done. In this study, 12 potsherds excavated from Layer-1 (the first settlement layer after the surface) in Kuriki Mound-2 were investigated by FT-IR spectrometry. Energy dispersive X-ray fluorescence (EDXRF) and X-ray diffraction (XRD) analyses were used as complementary techniques in order to expose chemical and mineralogical/phase contents, respectively. Obtained results showed that the potteries have been produced with calcareous clays and they include moderate amounts of MgO, K2O, Na2O and Fe2O3 in this context. Additionally, high temperature phases have also been detected with XRD analyses in some samples.

Cluster mislocation in kinematic Sunyaev-Zel'dovich effect extraction

NASA Astrophysics Data System (ADS)

Calafut, Victoria; Bean, Rachel; Yu, Byeonghee

2017-12-01

We investigate the impact of a variety of analysis assumptions that influence cluster identification and location on the kinematic Sunyaev-Zel'dovich (kSZ) pairwise momentum signal and covariance estimation. Photometric and spectroscopic galaxy tracers from SDSS, WISE, and DECaLs, spanning redshifts 0.05

K- and L-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) determination of differential orbital covalency (DOC) of transition metal sites

DOE PAGES

Baker, Michael L.; Mara, Michael W.; Yan, James J.; ...

2017-02-09

Continual advancements in the development of synchrotron radiation sources have resulted in X-ray based spectroscopic techniques capable of probing the electronic and structural properties of numerous systems. This review gives an overview of the application of metal K-edge and L-edge X-ray absorption spectroscopy (XAS), as well as Kα resonant inelastic X-ray scattering (RIXS), to the study of electronic structure in transition metal sites with emphasis on experimentally quantifying 3d orbital covalency. The specific sensitivities of K-edge XAS, L-edge XAS, and RIXS are discussed emphasizing the complementary nature of the methods. L-edge XAS and RIXS are sensitive to mixing between 3dmore » orbitals and ligand valence orbitals, and to the differential orbital covalency (DOC), that is, the difference in the covalencies for different symmetry sets of the d orbitals. Both L-edge XAS and RIXS are highly sensitive to and enable separation of σ and π donor bonding and π back bonding contributions to bonding. Applying ligand field multiplet simulations, including charge transfer via valence bond configuration interactions, DOC can be obtained for direct comparison with density functional theory calculations and to understand chemical trends. Here, the application of RIXS as a probe of frontier molecular orbitals in a heme enzyme demonstrates the potential of this method for the study of metal sites in highly covalent coordination sites in bioinorganic chemistry.« less

K- and L-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) determination of differential orbital covalency (DOC) of transition metal sites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Michael L.; Mara, Michael W.; Yan, James J.

Continual advancements in the development of synchrotron radiation sources have resulted in X-ray based spectroscopic techniques capable of probing the electronic and structural properties of numerous systems. This review gives an overview of the application of metal K-edge and L-edge X-ray absorption spectroscopy (XAS), as well as Kα resonant inelastic X-ray scattering (RIXS), to the study of electronic structure in transition metal sites with emphasis on experimentally quantifying 3d orbital covalency. The specific sensitivities of K-edge XAS, L-edge XAS, and RIXS are discussed emphasizing the complementary nature of the methods. L-edge XAS and RIXS are sensitive to mixing between 3dmore » orbitals and ligand valence orbitals, and to the differential orbital covalency (DOC), that is, the difference in the covalencies for different symmetry sets of the d orbitals. Both L-edge XAS and RIXS are highly sensitive to and enable separation of σ and π donor bonding and π back bonding contributions to bonding. Applying ligand field multiplet simulations, including charge transfer via valence bond configuration interactions, DOC can be obtained for direct comparison with density functional theory calculations and to understand chemical trends. Here, the application of RIXS as a probe of frontier molecular orbitals in a heme enzyme demonstrates the potential of this method for the study of metal sites in highly covalent coordination sites in bioinorganic chemistry.« less

Identification of microplastics by FTIR and Raman microscopy: a novel silicon filter substrate opens the important spectral range below 1300 cm(-1) for FTIR transmission measurements.

PubMed

Käppler, Andrea; Windrich, Frank; Löder, Martin G J; Malanin, Mikhail; Fischer, Dieter; Labrenz, Matthias; Eichhorn, Klaus-Jochen; Voit, Brigitte

2015-09-01

The presence of microplastics in aquatic ecosystems is a topical problem and leads to the need of appropriate and reliable analytical methods to distinctly identify and to quantify these particles in environmental samples. As an example transmission, Fourier transform infrared (FTIR) imaging can be used to analyze samples directly on filters without any visual presorting, when the environmental sample was afore extracted, purified, and filtered. However, this analytical approach is strongly restricted by the limited IR transparency of conventional filter materials. Within this study, we describe a novel silicon (Si) filter substrate produced by photolithographic microstructuring, which guarantees sufficient transparency for the broad mid-infrared region of 4000-600 cm(-1). This filter type features holes with a diameter of 10 μm and exhibits adequate mechanical stability. Furthermore, it will be shown that our Si filter substrate allows a distinct identification of the most common microplastics, polyethylene (PE), and polypropylene (PP), in the characteristic fingerprint region (1400-600 cm(-1)). Moreover, using the Si filter substrate, a differentiation of microparticles of polyesters having quite similar chemical structure, like polyethylene terephthalate (PET) and polybutylene terephthalate (PBT), is now possible, which facilitates a visualization of their distribution within a microplastic sample by FTIR imaging. Finally, this Si filter can also be used as substrate for Raman microscopy-a second complementary spectroscopic technique-to identify microplastic samples.

Using Flory-Huggins phase diagrams as a pre-formulation tool for the production of amorphous solid dispersions: a comparison between hot-melt extrusion and spray drying.

PubMed

Tian, Yiwei; Caron, Vincent; Jones, David S; Healy, Anne-Marie; Andrews, Gavin P

2014-02-01

Amorphous drug forms provide a useful method of enhancing the dissolution performance of poorly water-soluble drugs; however, they are inherently unstable. In this article, we have used Flory-Huggins theory to predict drug solubility and miscibility in polymer candidates, and used this information to compare spray drying and melt extrusion as processes to manufacture solid dispersions. Solid dispersions were prepared using two different techniques (hot-melt extrusion and spray drying), and characterised using a combination of thermal (thermogravimetric analysis and differential scanning calorimetry), spectroscopic (Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction methods. Spray drying permitted generation of amorphous solid dispersions across a wider drug concentration than melt extrusion. Melt extrusion provided sufficient energy for more intimate mixing to be achieved between drug and polymer, which may improve physical stability. It was also confirmed that stronger drug-polymer interactions might be generated through melt extrusion. Remixing and dissolution of recrystallised felodipine into the polymeric matrices did occur during the modulated differential scanning calorimetry analysis, but the complementary information provided from FTIR confirms that all freshly prepared spray-dried samples were amorphous with the existence of amorphous drug domains within high drug-loaded samples. Using temperature-composition phase diagrams to probe the relevance of temperature and drug composition in specific polymer candidates facilitates polymer screening for the purpose of formulating solid dispersions. © 2013 Royal Pharmaceutical Society.

Impact of the differential fluence distribution of brachytherapy sources on the spectroscopic dose-rate constant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malin, Martha J.; Bartol, Laura J.; DeWerd, Larry A., E-mail: mmalin@wisc.edu, E-mail: ladewerd@wisc.edu

2015-05-15

Purpose: To investigate why dose-rate constants for {sup 125}I and {sup 103}Pd seeds computed using the spectroscopic technique, Λ{sub spec}, differ from those computed with standard Monte Carlo (MC) techniques. A potential cause of these discrepancies is the spectroscopic technique’s use of approximations of the true fluence distribution leaving the source, φ{sub full}. In particular, the fluence distribution used in the spectroscopic technique, φ{sub spec}, approximates the spatial, angular, and energy distributions of φ{sub full}. This work quantified the extent to which each of these approximations affects the accuracy of Λ{sub spec}. Additionally, this study investigated how the simplified water-onlymore » model used in the spectroscopic technique impacts the accuracy of Λ{sub spec}. Methods: Dose-rate constants as described in the AAPM TG-43U1 report, Λ{sub full}, were computed with MC simulations using the full source geometry for each of 14 different {sup 125}I and 6 different {sup 103}Pd source models. In addition, the spectrum emitted along the perpendicular bisector of each source was simulated in vacuum using the full source model and used to compute Λ{sub spec}. Λ{sub spec} was compared to Λ{sub full} to verify the discrepancy reported by Rodriguez and Rogers. Using MC simulations, a phase space of the fluence leaving the encapsulation of each full source model was created. The spatial and angular distributions of φ{sub full} were extracted from the phase spaces and were qualitatively compared to those used by φ{sub spec}. Additionally, each phase space was modified to reflect one of the approximated distributions (spatial, angular, or energy) used by φ{sub spec}. The dose-rate constant resulting from using approximated distribution i, Λ{sub approx,i}, was computed using the modified phase space and compared to Λ{sub full}. For each source, this process was repeated for each approximation in order to determine which approximations used in the spectroscopic technique affect the accuracy of Λ{sub spec}. Results: For all sources studied, the angular and spatial distributions of φ{sub full} were more complex than the distributions used in φ{sub spec}. Differences between Λ{sub spec} and Λ{sub full} ranged from −0.6% to +6.4%, confirming the discrepancies found by Rodriguez and Rogers. The largest contribution to the discrepancy was the assumption of isotropic emission in φ{sub spec}, which caused differences in Λ of up to +5.3% relative to Λ{sub full}. Use of the approximated spatial and energy distributions caused smaller average discrepancies in Λ of −0.4% and +0.1%, respectively. The water-only model introduced an average discrepancy in Λ of −0.4%. Conclusions: The approximations used in φ{sub spec} caused discrepancies between Λ{sub approx,i} and Λ{sub full} of up to 7.8%. With the exception of the energy distribution, the approximations used in φ{sub spec} contributed to this discrepancy for all source models studied. To improve the accuracy of Λ{sub spec}, the spatial and angular distributions of φ{sub full} could be measured, with the measurements replacing the approximated distributions. The methodology used in this work could be used to determine the resolution that such measurements would require by computing the dose-rate constants from phase spaces modified to reflect φ{sub full} binned at different spatial and angular resolutions.« less

Welds in thermoplastic composite materials

NASA Astrophysics Data System (ADS)

Taylor, N. S.

Welding methods are reviewed that can be effectively used for joining of thermoplastic composites and continuous-fiber thermoplastics. Attention is given to the use of ultrasonic, vibration, hot-plate, resistance, and induction welding techniques. The welding techniques are shown to provide complementary weld qualities for the range of thermoplastic materials that are of interest to industrial and technological applications.

Characterization of complementary patterned metallic membranes produced simultaneously by a dual fabrication process

NASA Astrophysics Data System (ADS)

Hao, Qingzhen; Zeng, Yong; Wang, Xiande; Zhao, Yanhui; Wang, Bei; Chiang, I.-Kao; Werner, Douglas H.; Crespi, Vincent; Huang, Tony Jun

2010-11-01

An efficient technique is developed to fabricate optically thin metallic films with subwavelength patterns and their complements simultaneously. By comparing the spectra of the complementary films, we show that Babinet's principle nearly holds for these structures in the optical domain. Rigorous full-wave simulations are employed to verify the experimental observations. It is further demonstrated that a discrete-dipole approximation can qualitatively describe the spectral dependence of the metallic membranes on the geometry of the constituent particles as well as the illuminating polarization.

Screening mail for powders using terahertz technology

NASA Astrophysics Data System (ADS)

Kemp, Mike

2011-11-01

Following the 2001 Anthrax letter attacks in the USA, there has been a continuing interest in techniques that can detect or identify so-called 'white powder' concealed in envelopes. Electromagnetic waves (wavelengths 100-500 μm) in the terahertz frequency range penetrate paper and have short enough wavelengths to provide good resolution images; some materials also have spectroscopic signatures in the terahertz region. We report on an experimental study into the use of terahertz imaging and spectroscopy for mail screening. Spectroscopic signatures of target powders were measured and, using a specially designed test rig, a number of imaging methods based on reflection, transmission and scattering were investigated. It was found that, contrary to some previous reports, bacterial spores do not appear to have any strong spectroscopic signatures which would enable them to be identified. Imaging techniques based on reflection imaging and scattering are ineffective in this application, due to the similarities in optical properties between powders of interest and paper. However, transmission imaging using time-of-flight of terahertz pulses was found to be a very simple and sensitive method of detecting small quantities (25 mg) of powder, even in quite thick envelopes. An initial feasibility study indicates that this method could be used as the basis of a practical mail screening system.

Investigations on the photoreactions of phenothiazine and phenoxazine in presence of 9-cyanoanthracene by using steady state and time resolved spectroscopic techniques.

PubMed

Bardhan, Munmun; Mandal, Paulami; Tzeng, Wen-Bih; Ganguly, Tapan

2010-09-01

By using electrochemical, steady state and time resolved (fluorescence lifetime and transient absorption) spectroscopic techniques, detailed investigations were made to reveal the mechanisms of charge separation or forward electron transfer reactions within the electron donor phenothiazine (PTZH) or phenoxazine (PXZH) and well known electron acceptor 9-cyanoanthracene (CNA). The transient absorption spectra suggest that the charge separated species formed in the excited singlet state resulted from intermolecular photoinduced electron transfer reactions within the donor PTZH (or PXZH) and CNA acceptor relaxes to the corresponding triplet state. Though alternative mechanisms of via formations of contact neutral radical by H-transfer reaction have been proposed but the observed results obtained from the time resolved measurements indicate that the regeneration of ground state reactants is primarily responsible due to direct recombination of triplet contact ion-pair (CIP) or solvent-separated ion-pair (SSIP).

Label-Free Molecular Imaging of Biological Cells and Tissues by Linear and Nonlinear Raman Spectroscopic Approaches.

PubMed

Krafft, Christoph; Schmitt, Michael; Schie, Iwan W; Cialla-May, Dana; Matthäus, Christian; Bocklitz, Thomas; Popp, Jürgen

2017-04-10

Raman spectroscopy is an emerging technique in bioanalysis and imaging of biomaterials owing to its unique capability of generating spectroscopic fingerprints. Imaging cells and tissues by Raman microspectroscopy represents a nondestructive and label-free approach. All components of cells or tissues contribute to the Raman signals, giving rise to complex spectral signatures. Resonance Raman scattering and surface-enhanced Raman scattering can be used to enhance the signals and reduce the spectral complexity. Raman-active labels can be introduced to increase specificity and multimodality. In addition, nonlinear coherent Raman scattering methods offer higher sensitivities, which enable the rapid imaging of larger sampling areas. Finally, fiber-based imaging techniques pave the way towards in vivo applications of Raman spectroscopy. This Review summarizes the basic principles behind medical Raman imaging and its progress since 2012. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Has your ancient stamp been regummed with synthetic glue? A FT-NIR and FT-Raman study.

PubMed

Simonetti, Remo; Oliveri, Paolo; Henry, Adrien; Duponchel, Ludovic; Lanteri, Silvia

2016-01-01

The potential of FT-NIR and FT-Raman spectroscopies to characterise the gum applied on the backside of ancient stamps was investigated for the first time. This represents a very critical issue for the collectors' market, since gum conditions heavily influence stamp quotations, and fraudulent application of synthetic gum onto damaged stamp backsides to increase their desirability is a well-documented practice. Spectral data were processed by exploratory pattern recognition tools. In particular, application of principal component analysis (PCA) revealed that both of the spectroscopic techniques provide information useful to characterise stamp gum. Examination of PCA loadings and their chemical interpretation confirmed the robustness of the outcomes. Fusion of FT-NIR and FT-Raman spectral data was performed, following both a low-level and a mid-level procedure. The results were critically compared with those obtained separately for the two spectroscopic techniques. Copyright © 2015 Elsevier B.V. All rights reserved.

Detection of extracellular matrix modification in cancer models with inverse spectroscopic optical coherence tomography

NASA Astrophysics Data System (ADS)

Spicer, Graham L. C.; Azarin, Samira M.; Yi, Ji; Young, Scott T.; Ellis, Ronald; Bauer, Greta M.; Shea, Lonnie D.; Backman, Vadim

2016-10-01

In cancer biology, there has been a recent effort to understand tumor formation in the context of the tissue microenvironment. In particular, recent progress has explored the mechanisms behind how changes in the cell-extracellular matrix ensemble influence progression of the disease. The extensive use of in vitro tissue culture models in simulant matrix has proven effective at studying such interactions, but modalities for non-invasively quantifying aspects of these systems are scant. We present the novel application of an imaging technique, Inverse Spectroscopic Optical Coherence Tomography, for the non-destructive measurement of in vitro biological samples during matrix remodeling. Our findings indicate that the nanoscale-sensitive mass density correlation shape factor D of cancer cells increases in response to a more crosslinked matrix. We present a facile technique for the non-invasive, quantitative study of the micro- and nano-scale structure of the extracellular matrix and its host cells.

Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

PubMed

Singh, Gurpreet; Mohanty, B P; Saini, G S S

2016-02-15

Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide. Copyright © 2015 Elsevier B.V. All rights reserved.

Temperature analysis of laser ignited metalized material using spectroscopic technique

NASA Astrophysics Data System (ADS)

Bassi, Ishaan; Sharma, Pallavi; Daipuriya, Ritu; Singh, Manpreet

2018-05-01

The temperature measurement of the laser ignited aluminized Nano energetic mixture using spectroscopy has a great scope in in analysing the material characteristic and combustion analysis. The spectroscopic analysis helps to do in depth study of combustion of materials which is difficult to do using standard pyrometric methods. Laser ignition was used because it consumes less energy as compared to electric ignition but ignited material dissipate the same energy as dissipated by electric ignition and also with the same impact. Here, the presented research is primarily focused on the temperature analysis of energetic material which comprises of explosive material mixed with nano-material and is ignited with the help of laser. Spectroscopy technique is used here to estimate the temperature during the ignition process. The Nano energetic mixture used in the research does not comprise of any material that is sensitive to high impact.

A multidisciplinary approach to scars: a narrative review

PubMed Central

Zanier, Emiliano; Bordoni, Bruno

2015-01-01

The purpose of this article is to carry out a narrative review regarding the approach to scars through complementary and alternative medicine focusing on osteopathy, naturopathy, and other minor methods and traditional rehabilitative medicines, such as physiotherapy and manual therapies. We analyzed the existing literature regarding the possible influences of techniques relaxing the diaphragm – both manual and psychophysical relaxing techniques – and the consequent local response to events leading to scar tissue healing. The objective of the study is to become a useful instrument of knowledge for those manual therapists and professionals who deal with patients affected by discontinuity of the skin surface due to trauma or surgery. This article also intends to stimulate research in order to find and propose new methods of scar treatment, taking into consideration the information gained so far from other complementary and alternative disciplines. PMID:26316774

Upgrade of the Surface Spectrometer at NEPOMUC for PAES, XPS and STM Investigations

NASA Astrophysics Data System (ADS)

Zimnik, S.; Lippert, F.; Hugenschmidt, C.

2014-04-01

The characterization of the elemental composition of surfaces is of great importance for the understanding of many surface processes, such as surface segregation or oxidation. Positron-annihilation-induced Auger Electron Spectroscopy (PAES) is a powerful technique for gathering information about the elemental composition of only the topmost atomic layer of a sample. The upgraded surface spectrometer at NEPOMUC (NEtron induced POsitron source MUniCh) enables a comprehensive surface analysis with the complementary techniques STM, XPS and PAES. A new X-ray source for X-ray induced photoelectron spectroscopy (XPS) was installed to gather additional information on oxidation states. A new scanning tunneling microscope (STM) is used as a complementary method to investigate with atomic resolution the surface electron density. The combination of PAES, XPS and STM allows the characterization of both the elemental composition, and the surface topology.

Spectroscopic Study of L Hypernuclei with Electron Beams at Jefferson Lab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamura, Satoshi; Gogami, Toshiyuki; Tang, Liguang

The missing mass spectroscopy of L hypernuclei with the (e, e'K^+) reaction was started from 2000 at Jefferson Lab. In this fifteen years, various hypernuclei (A = 7 - 52) including hyperon (L, S^0) productions have been studied with newly developed experimental techniques. The (e, e'K^+) reaction spectroscopy of L hypernuclei features its capability of absolute missing mass calibration and production of new species of hypernuclei which are the isospin partners of well studied hypernuclei by (K^-, pi-) and (pi^+, K^+) reactions. In this paper, we will review how we established the (e, e'K^+) spectroscopic study of hypernuclei.

Studies on the binding behavior of prodigiosin with bovine hemoglobin by multi-spectroscopic techniques

NASA Astrophysics Data System (ADS)

Tang, Jing; Yang, Chao; Zhou, Lin; Ma, Fei; Liu, Shuchao; Wei, Shaohua; Zhou, Jiahong; Zhou, Yanhuai

2012-10-01

In this article, the interaction mechanism of prodigiosin (PG) with bovine hemoglobin (BHb) is studied in detail using various spectroscopic technologies. UV-vis absorption and fluorescence spectra demonstrate the interaction process. The Stern-Volmer plot and the time-resolved fluorescence study suggest the quenching mechanism of fluorescence of BHb by PG is a static quenching procedure, and the hydrophobic interactions play a major role in binding of PG to BHb. Furthermore, synchronous fluorescence studies, Fourier transform infrared (FTIR) and circular dichroism (CD) spectra reveal that the conformation of BHb is changed after conjugation with PG.

Variable angle spectroscopic ellipsometric characterization of HfO2 thin film

NASA Astrophysics Data System (ADS)

Kumar, M.; Kumari, N.; Karar, V.; Sharma, A. L.

2018-02-01

Hafnium Oxide film was deposited on BK7 glass substrate using reactive oxygenated E-Beam deposition technique. The film was deposited using in-situ quartz crystal thickness monitoring to control the film thickness and rate of evaporation. The thin film was grown with a rate of deposition of 0.3 nm/s. The coated substrate was optically characterized using spectrophotometer to determine its transmission spectra. The optical constants as well as film thickness of the hafnia film were extracted by variable angle spectroscopic ellipsometry with Cauchy fitting at incidence angles of 65˚, 70˚ and 75˚.

Understanding PGM-free Catalysts by Linking Density Functional Theory Calculations and Structural Analysis: Perspectives and Challenges

DOE PAGES

Gonzales, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

2018-03-13

Here, we discuss perspectives and challenges in applying density functional theory for the calculation of spectroscopic properties of platinum group metal (PGM)-free electrocatalysts for oxygen reduction. More specifically, we discuss recent advances in the density functional theory calculations of core-level shifts in binding energies of N 1s electrons as measured by X-ray photoelectron spectroscopy. The link between the density functional theory calculations, the electrocatalytic performance of the catalysts, and structural analysis using modern spectroscopic techniques is expected to significantly increase our understanding of PGM-free catalysts at the molecular level.

Understanding PGM-free Catalysts by Linking Density Functional Theory Calculations and Structural Analysis: Perspectives and Challenges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonzales, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

Here, we discuss perspectives and challenges in applying density functional theory for the calculation of spectroscopic properties of platinum group metal (PGM)-free electrocatalysts for oxygen reduction. More specifically, we discuss recent advances in the density functional theory calculations of core-level shifts in binding energies of N 1s electrons as measured by X-ray photoelectron spectroscopy. The link between the density functional theory calculations, the electrocatalytic performance of the catalysts, and structural analysis using modern spectroscopic techniques is expected to significantly increase our understanding of PGM-free catalysts at the molecular level.

VizieR Online Data Catalog: Faint blue objects at high galactic latitude (Mitchell+, 2004)

NASA Astrophysics Data System (ADS)

Mitchell, K. J.; Usher, P. D.

2006-11-01

The US (UV-excess Starlike) survey has cataloged 3987 objects in 7 high Galactic latitude fields according to their optical colors, magnitudes, and morphologies using photographic techniques. This paper analyzes the effectiveness of the survey at producing finding lists for complete samples of hot stars and quasars that exhibit blue and/or ultraviolet excess (B-UVX) relative to the colors of halo F and G subdwarf stars. A table of 599 spectroscopic identifications summarizes the spectroscopic coverage of the US objects that has been accomplished to date. (6 data files).

Automated prescription of oblique brain 3D magnetic resonance spectroscopic imaging.

PubMed

Ozhinsky, Eugene; Vigneron, Daniel B; Chang, Susan M; Nelson, Sarah J

2013-04-01

Two major difficulties encountered in implementing Magnetic Resonance Spectroscopic Imaging (MRSI) in a clinical setting are limited coverage and difficulty in prescription. The goal of this project was to automate completely the process of 3D PRESS MRSI prescription, including placement of the selection box, saturation bands and shim volume, while maximizing the coverage of the brain. The automated prescription technique included acquisition of an anatomical MRI image, optimization of the oblique selection box parameters, optimization of the placement of outer-volume suppression saturation bands, and loading of the calculated parameters into a customized 3D MRSI pulse sequence. To validate the technique and compare its performance with existing protocols, 3D MRSI data were acquired from six exams from three healthy volunteers. To assess the performance of the automated 3D MRSI prescription for patients with brain tumors, the data were collected from 16 exams from 8 subjects with gliomas. This technique demonstrated robust coverage of the tumor, high consistency of prescription and very good data quality within the T2 lesion. Copyright © 2012 Wiley Periodicals, Inc.

DNA-binding study of anticancer drug cytarabine by spectroscopic and molecular docking techniques.

PubMed

Shahabadi, Nahid; Falsafi, Monireh; Maghsudi, Maryam

2017-01-02

The interaction of anticancer drug cytarabine with calf thymus DNA (CT-DNA) was investigated in vitro under simulated physiological conditions by multispectroscopic techniques and molecular modeling study. The fluorescence spectroscopy and UV absorption spectroscopy indicated drug interacted with CT-DNA in a groove-binding mode, while the binding constant of UV-vis and the number of binding sites were 4.0 ± 0.2 × 10 4 L mol -1 and 1.39, respectively. The fluorimetric studies showed that the reaction between the drugs with CT-DNA is exothermic. Circular dichroism spectroscopy was employed to measure the conformational change of DNA in the presence of cytarabine. Furthermore, the drug induces detectable changes in its viscosity for DNA interaction. The molecular modeling results illustrated that cytarabine strongly binds to groove of DNA by relative binding energy of docked structure -20.61 KJ mol -1 . This combination of multiple spectroscopic techniques and molecular modeling methods can be widely used in the investigation on the interaction of small molecular pollutants and drugs with biomacromolecules for clarifying the molecular mechanism of toxicity or side effect in vivo.

Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV-Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline

NASA Astrophysics Data System (ADS)

Abraham, Christina Susan; Prasana, Johanan Christian; Muthu, S.; Rizwana B, Fathima; Raja, M.

2018-05-01

The research exploration will comprise of investigating the molecular structure, vibrational assignments, bonding and anti-bonding nature, nonlinear optical, electronic and thermodynamic nature of the molecule. The research is conducted at two levels: First level employs the spectroscopic techniques - FT-IR, FT-Raman and UV-Vis characterizing techniques; at second level the data attained experimentally is analyzed through theoretical methods using and Density Function Theories which involves the basic principle of solving the Schrodinger equation for many body systems. A comparison is drawn between the two levels and discussed. The probability of the title molecule being bio-active theoretically proved by the electrophilicity index leads to further property analyzes of the molecule. The target molecule is found to fit well with Centromere associated protein inhibitor using molecular docking techniques. Higher basis set 6-311++G(d,p) is used to attain results more concurrent to the experimental data. The results of the organic amine 2, 4 Dibromoaniline is analyzed and discussed.

Molecular Modeling of a Probe in 2D IR Spectroscopy

NASA Astrophysics Data System (ADS)

Cooper, Anthony; Larini, Luca

Proteins must adopt a precise three dimensional structure in the folding process in order to perform its designated function. Although much has been learned about folding, there are still many details in structural dynamics that are difficult to characterize by existing experimental techniques. In order to overcome these challenges, novel infrared and fluorescent spectroscopic techniques have recently been employed to probe the molecular structure at the atomistic scale. These techniques rely on the spectroscopic properties of the nitrile group attached to a phenylalanine. In this study, we model this probe and we compute its properties in different solvents. This is done by performing Molecular Dynamics simulations with a PheCN solvated in water, urea and TMAO. We measure the decay rate of the vibrational stretching of the CN group in order to characterize the effects of different solvents on the local structure of the molecule. This data can be used to identify non-trivial conformational changes of the protein in the folding process. Preliminary results show agreement with current experimental data on 2D IR spectroscopy.

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

NASA Technical Reports Server (NTRS)

Huang, Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.

2013-01-01

The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(exp-1), and the vibrational configuration interaction computed result is 3330.9 cm(exp-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

A Novel Sky-Subtraction Method Based on Non-negative Matrix Factorisation with Sparsity for Multi-object Fibre Spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Bo; Zhang, Long; Ye, Zhongfu

2016-12-01

A novel sky-subtraction method based on non-negative matrix factorisation with sparsity is proposed in this paper. The proposed non-negative matrix factorisation with sparsity method is redesigned for sky-subtraction considering the characteristics of the skylights. It has two constraint terms, one for sparsity and the other for homogeneity. Different from the standard sky-subtraction techniques, such as the B-spline curve fitting methods and the Principal Components Analysis approaches, sky-subtraction based on non-negative matrix factorisation with sparsity method has higher accuracy and flexibility. The non-negative matrix factorisation with sparsity method has research value for the sky-subtraction on multi-object fibre spectroscopic telescope surveys. To demonstrate the effectiveness and superiority of the proposed algorithm, experiments are performed on Large Sky Area Multi-Object Fiber Spectroscopic Telescope data, as the mechanisms of the multi-object fibre spectroscopic telescopes are similar.

Intrinsic folding of small peptide chains: spectroscopic evidence for the formation of beta-turns in the gas phase.

PubMed

Chin, Wutharath; Dognon, Jean-Pierre; Piuzzi, François; Tardivel, Benjamin; Dimicoli, Iliana; Mons, Michel

2005-01-19

Laser desorption of model peptides coupled to laser spectroscopic techniques enables the gas-phase observation of genuine secondary structures of biology. Spectroscopic evidence for the formation of beta-turns in gas-phase peptide chains containing glycine and phenylalanine residues establishes the intrinsic stability of these forms and their ability to compete with other stable structures. The precise characterization of local minima on the potential energy surface from IR spectroscopy constitutes an acute assessment for the state-of-the-art quantum mechanical calculations also presented. The observation of different types of beta-turns depending upon the residue order within the sequence is found to be consistent with the residue propensities in beta-turns of proteins, which suggests that the prevalence of glycine in type II and II' turns stems essentially from an energetic origin, already at play under isolated conditions.

Application of Spectroscopic Methods for Structural Analysis of Chitin and Chitosan

PubMed Central

Kumirska, Jolanta; Czerwicka, Małgorzata; Kaczyński, Zbigniew; Bychowska, Anna; Brzozowski, Krzysztof; Thöming, Jorg; Stepnowski, Piotr

2010-01-01

Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds. PMID:20559489

Photonic sensor devices for explosive detection.

PubMed

Willer, Ulrike; Schade, Wolfgang

2009-09-01

For the sensitive online and in situ detection of gaseous species, optical methods are ideally suited. In contrast to chemical analysis, no sample preparation is necessary and therefore spectroscopic methods should be favorable both in respect of a fast signal recovery and economically because no disposal is needed. However, spectroscopic methods are currently not widely used for security applications. We review photonic sensor devices for the detection of explosives in the gas phase as well as the condensed phase and the underlying spectroscopic techniques with respect to their adaptability for security applications, where high sensitivity, high selectivity, and a low false-alarm rate are of importance. The measurements have to be performed under ambient conditions and often remote handling or even operation in standoff configuration is needed. For handheld and portable equipment, special attention is focused on the miniaturization and examples for already-available sensor devices are given.

Optimization of spectroscopic surveys for testing non-Gaussianity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raccanelli, Alvise; Doré, Olivier; Dalal, Neal, E-mail: alvise@caltech.edu, E-mail: Olivier.P.Dore@jpl.nasa.gov, E-mail: dalaln@illinois.edu

We investigate optimization strategies to measure primordial non-Gaussianity with future spectroscopic surveys. We forecast measurements coming from the 3D galaxy power spectrum and compute constraints on primordial non-Gaussianity parameters f{sub NL} and n{sub NG}. After studying the dependence on those parameters upon survey specifications such as redshift range, area, number density, we assume a reference mock survey and investigate the trade-off between number density and area surveyed. We then define the observational requirements to reach the detection of f{sub NL} of order 1. Our results show that power spectrum constraints on non-Gaussianity from future spectroscopic surveys can improve on currentmore » CMB limits, but the multi-tracer technique and higher order correlations will be needed in order to reach an even better precision in the measurements of the non-Gaussianity parameter f{sub NL}.« less

Laser diode absorption spectroscopy for accurate CO(2) line parameters at 2 microm: consequences for space-based DIAL measurements and potential biases.

PubMed

Joly, Lilian; Marnas, Fabien; Gibert, Fabien; Bruneau, Didier; Grouiez, Bruno; Flamant, Pierre H; Durry, Georges; Dumelie, Nicolas; Parvitte, Bertrand; Zéninari, Virginie

2009-10-10

Space-based active sensing of CO(2) concentration is a very promising technique for the derivation of CO(2) surface fluxes. There is a need for accurate spectroscopic parameters to enable accurate space-based measurements to address global climatic issues. New spectroscopic measurements using laser diode absorption spectroscopy are presented for the preselected R30 CO(2) absorption line ((20(0)1)(III)<--(000) band) and four others. The line strength, air-broadening halfwidth, and its temperature dependence have been investigated. The results exhibit significant improvement for the R30 CO(2) absorption line: 0.4% on the line strength, 0.15% on the air-broadening coefficient, and 0.45% on its temperature dependence. Analysis of potential biases of space-based DIAL CO(2) mixing ratio measurements associated to spectroscopic parameter uncertainties are presented.

Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid

NASA Astrophysics Data System (ADS)

Murthy, P. Krishna; Krishnaswamy, G.; Armaković, Stevan; Armaković, Sanja J.; Suchetan, P. A.; Desai, Nivedita R.; Suneetha, V.; SreenivasaRao, R.; Bhargavi, G.; Aruna Kumar, D. B.

2018-06-01

The title compound 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid (abbreviated as HBFAA) has been synthetized and characterized by FT-IR, FT-Raman and NMR spectroscopic techniques. Solid state crystal structure of HBFAA has been determined by single crystal X-ray diffraction technique. The crystal structure features O-H⋯O and C-H⋯O intermolecular interactions resulting in a two dimensional supramolecular architecture. The presence of various intermolecular interactions is well supported by the Hirshfeld surface analysis. The molecular properties of HBFAA were performed by Density functional theory (DFT) using B3LYP/6-311G++(d,p) method at ground state in gas phase, compile these results with experimental values and shows mutual agreement. The vibrational spectral analysis were carried out using FT-IR and FT-Raman spectroscopic techniques and assignment of each vibrational wavenumber made on the basis of potential energy distribution (PED). And also frontier orbital analysis (FMOs), global reactivity descriptors, non-linear optical properties (NLO) and natural bond orbital analysis (NBO) of HBFAA were computed with same method. Efforts were made in order to understand global and local reactivity properties of title compound by calculations of MEP, ALIE, BDE and Fukui function surfaces in gas phase, together with thermodynamic properties. Molecular dynamics simulation and radial distribution functions were also used in order to understand the influence of water to the stability of title compound. Charge transfer between molecules of HBFAA has been investigated thanks to the combination of MD simulations and DFT calculations.

Multi-modular, tris(triphenylamine) zinc porphyrin-zinc phthalocyanine-fullerene conjugate as a broadband capturing, charge stabilizing, photosynthetic 'antenna-reaction center' mimic.

PubMed

Kc, Chandra B; Lim, Gary N; D'Souza, Francis

2015-04-21

A broadband capturing, charge stabilizing, photosynthetic antenna-reaction center model compound has been newly synthesized and characterized. The model compound is comprised of a zinc porphyrin covalently linked to three units of triphenylamine entities and a zinc phthalocyanine entity. The absorption and fluorescence spectra of zinc porphyrin complemented that of zinc phthalocyanine offering broadband coverage. Stepwise energy transfer from singlet excited triphenylamine to zinc porphyrin, and singlet excited zinc porphyrin to zinc phthalocyanine (kENT ∼ 10(11) s(-1)) was established from spectroscopic and time-resolved transient absorption techniques. Next, an electron acceptor, fullerene was introduced via metal-ligand axial coordination to both zinc porphyrin and zinc phthalocyanine centers, and they were characterized by spectroscopic and electrochemical techniques. An association constant of 4.9 × 10(4) M(-1) for phenylimidazole functionalized fullerene binding to zinc porphyrin, and 5.1 × 10(4) M(-1) for it binding to zinc phthalocyanine was obtained. An energy level diagram for the occurrence of different photochemical events within the multi-modular donor-acceptor conjugate was established from spectral and electrochemical data. Unlike the previous zinc porphyrin-zinc phthalocyanine-fullerene conjugates, the newly assembled donor-acceptor conjugate has been shown to undergo the much anticipated initial charge separation from singlet excited zinc porphyrin to the coordinated fullerene followed by a hole shift process to zinc phthalocyanine resulting in a long-lived charge separated state as revealed by femto- and nanosecond transient absorption spectroscopic techniques. The lifetime of the final charge separated state was about 100 ns.

Role of New Functional MRI Techniques in the Diagnosis, Staging, and Followup of Gynecological Cancer: Comparison with PET-CT

PubMed Central

Alvarez Moreno, Elena; Jimenez de la Peña, Mar; Cano Alonso, Raquel

2012-01-01

Recent developments in diagnostic imaging techniques have magnified the role and potential of both MRI and PET-CT in female pelvic imaging. This article reviews the techniques and clinical applications of new functional MRI (fMRI) including diffusion-weighted MRI (DWI), dynamic contrast-enhanced (DCE)-MRI, comparing with PET-CT. These new emerging provide not only anatomic but also functional imaging, allowing detection of small volumes of active tumor at diagnosis and early disease relapse, which may not result in detectable morphological changes at conventional imaging. This information is useful in distinguishing between recurrent/residual tumor and post-treatment changes and assessing treatment response, with a clear impact on patient management. Both PET-CT and now fMRI have proved to be very valuable tools for evaluation of gynecologic tumors. Most papers try to compare these techniques, but in our experience both are complementary in management of these patients. Meanwhile PET-CT is superior in diagnosis of ganglionar disease; fMRI presents higher accuracy in local preoperative staging. Both techniques can be used as biomarkers of tumor response and present high accuracy in diagnosis of local recurrence and peritoneal dissemination, with complementary roles depending on histological type, anatomic location and tumoral volume. PMID:22315683

Spectroscopic Sleuthing. An Introduction to Forensic Science.

ERIC Educational Resources Information Center

Zdravkovich, Vera; Cunniff, Patricia A.

1991-01-01

Described is a program in which students learn about spectroscopy and instrumentation to solve a chemical forensic mystery. Infrared and nuclear magnetic resonance (NMR) spectroscopy, refractometry, and chromatographic techniques were used. An example of a mystery case is included. (KR)

SPECTROSCOPIC ONLINE MONITORING FOR PROCESS CONTROL AND SAFEGUARDING OF RADIOCHEMICAL STREAMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bryan, Samuel A.; Levitskaia, Tatiana G.

2013-09-29

There is a renewed interest worldwide to promote the use of nuclear power and close the nuclear fuel cycle. The long term successful use of nuclear power is critically dependent upon adequate and safe processing and disposition of the used nuclear fuel. Liquid-liquid extraction is a separation technique commonly employed for the processing of the dissolved used nuclear fuel. The instrumentation used to monitor these processes must be robust, require little or no maintenance, and be able to withstand harsh environments such as high radiation fields and aggressive chemical matrices. This paper summarizes application of the absorption and vibrational spectroscopicmore » techniques supplemented by physicochemical measurements for radiochemical process monitoring. In this context, our team experimentally assessed the potential of Raman and spectrophotometric techniques for online real-time monitoring of the U(VI)/nitrate ion/nitric acid and Pu(IV)/Np(V)/Nd(III), respectively, in solutions relevant to spent fuel reprocessing. These techniques demonstrate robust performance in the repetitive batch measurements of each analyte in a wide concentration range using simulant and commercial dissolved spent fuel solutions. Spectroscopic measurements served as training sets for the multivariate data analysis to obtain partial least squares predictive models, which were validated using on-line centrifugal contactor extraction tests. Satisfactory prediction of the analytes concentrations in these preliminary experiments warrants further development of the spectroscopy-based methods for radiochemical process control and safeguarding. Additionally, the ability to identify material intentionally diverted from a liquid-liquid extraction contactor system was successfully tested using on-line process monitoring as a means to detect the amount of material diverted. A chemical diversion and detection from a liquid-liquid extraction scheme was demonstrated using a centrifugal contactor system operating with the simulant PUREX extraction system of Nd(NO3)3/nitric acid aqueous phase and TBP/n-dodecane organic phase. During a continuous extraction experiment, a portion of the feed from a counter-current extraction system was diverted while the spectroscopic on-line process monitoring system was simultaneously measuring the feed, raffinate and organic products streams. The amount observed to be diverted by on-line spectroscopic process monitoring was in excellent agreement with values based from the known mass of sample directly taken (diverted) from system feed solution.« less

Indigenous food ingredients for complementary food formulations to combat infant malnutrition in Benin: a review.

PubMed

Chadare, Flora J; Madode, Yann E; Fanou-Fogny, Nadia; Kindossi, Janvier M; Ayosso, Juvencio Og; Honfo, S Hermann; Kayodé, Ap Polycarpe; Linnemann, Anita R; Hounhouigan, D Joseph

2018-01-01

This paper reviews indigenous Beninese food resources as potential ingredients for complementary infant foods with the aim to develop affordable formulations for low-income households in each agro-ecological zone of the country. Potential ingredients were selected on their documented nutritional value. The selected foods encompass 347 food resources, namely 297 plant products from home gardens or collected from natural vegetation and 50 animals, either domesticated or from the wild. The compiled data reveal that the distribution of the available food resources was unbalanced between agro-ecological zones. Only a few animal ingredients are obtainable in northern Benin. Most resources are seasonal, but their availability may be extended. A high variation was observed in energy and nutrient contents. Antinutritional factors were identified in some resources, but processing techniques were reported to reduce their presence in meals. In general, ingredients from local tree foods (Adansonia digitata, Parkia biglobosa) were adequate as sources of nutrients for complementary infant foods. Based on this review, local foods for the development of complementary food formulas for Beninese infants and children may be selected for each agro-ecological zone. The approach used is exemplary for other sub-Saharan African countries in need of complementary infant foods. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

[Complementary and alternative medicine: use in Montes Claros, Minas Gerais].

PubMed

Neto, Joao Felício Rodrigues; Faria, Anderson Antônio de; Figueiredo, Maria Fernanda Santos

2009-01-01

To determine prevalence of utilization and social and economic profile of those using complementary and alternative medicine in the medium sized Brazilian city of Montes Claros, MG. A transversal descriptive study was conducted. The sample of 3090 people was probabilistic, by clusters using the household as the sample unit for interview of both genders, older than 18 years. Data were collected by semi-structured questionnaires. Utilization of complementary and alternative medicine was of 8.9% when only those involving costs such as homeopathy, acupuncture, chiropractics, techniques of relaxation/ meditation and massage are considered and of 70.0%, when all therapies found were included. Prevalent were prayers to God (52.0%), popular medicines (30.9%), physical exercises (25.5%), faith healers (15.0%), popular diets (7.1%), massage (4.9%), relaxation/meditation (2.8%), homeopathy (2.4%), and groups of self-help (1.9%), chiropractics (1.7%), acupuncture (1.5%) and orthomolecular medicine (0.2%). Women, Catholic, married of higher income and education were positively associated with utilization of therapies involving expenses. Complementary and alternative medicine is used by a significant number of those interviewed. Gender, religion, marital status, income and education were positively associated with utilization of complementary and alternative medicine. Access of those with less income and education could increase the utilization of the options that involve expenses.

Characterization of perovskite film prepared by pulsed laser deposition on ferritic stainless steel using microscopic and optical methods

NASA Astrophysics Data System (ADS)

Durda, E.; Jaglarz, J.; Kąc, S.; Przybylski, K.; El Kouari, Y.

2016-06-01

The perovskite La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF48) film was deposited on Crofer 22 APU ferritic stainless steel by pulsed laser deposition (PLD). Morphological studies of the sample were performed using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Information about film thickness and surface topography of the film and the steel substrate were obtained using following optical methods: spectroscopic ellipsometry (SE), bidirectional reflection distribution function (BRDF) and total integrated reflectometry (TIS). In particular, the BRDF study, being complementary to atomic force microscopy, yielded information about surface topography. Using the previously mentioned methods, the following statistic surface parameters were determined: root-mean square (rms) roughness and autocorrelation length by determining the power spectral density (PSD) function of surface irregularities.

A novel dimeric flavonol glycoside from Cynanchum acutum subsp. sibiricum.

PubMed

Yuan, Si-Wen; Dai, Wei; Pan, Xin-Hui; Lu, Yan; Chen, Dao-Feng; Wang, Qi

2018-06-11

A novel dimeric flavonol glycoside, Cynanflavoside A (1), together with six analogues, kaempferol-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (2), quercetin-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (3), kaempferol-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranoside (4), quercetin-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranoside (5), kaempferol-3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside (6), and quercetin-3-O-galactoside (7) were isolated from the n-butyl alcohol extract of Cynanchum acutum subsp. sibiricum. Their structures were determined spectroscopically and compared with previously reported spectral data. All compounds were evaluated for their anti-complementary activity in vitro, and only compound 5 exhibited anti-complement effects with CH 50 value of 0.33 mM.

Towards optical spectroscopic anatomical mapping (OSAM) for lesion validation in cardiac tissue (Conference Presentation)

NASA Astrophysics Data System (ADS)

Singh-Moon, Rajinder P.; Zaryab, Mohammad; Hendon, Christine P.

2017-02-01

Electroanatomical mapping (EAM) is an invaluable tool for guiding cardiac radiofrequency ablation (RFA) therapy. The principle roles of EAM is the identification of candidate ablation sites by detecting regions of abnormal electrogram activity and lesion validation subsequent to RF energy delivery. However, incomplete lesions may present interim electrical inactivity similar to effective treatment in the acute setting, despite efforts to reveal them with pacing or drugs, such as adenosine. Studies report that the misidentification and recovery of such lesions is a leading cause of arrhythmia recurrence and repeat procedures. In previous work, we demonstrated spectroscopic characterization of cardiac tissues using a fiber optic-integrated RF ablation catheter. In this work, we introduce OSAM (optical spectroscopic anatomical mapping), the application of this spectroscopic technique to obtain 2-dimensional biodistribution maps. We demonstrate its diagnostic potential as an auxiliary method for lesion validation in treated swine preparations. Endocardial lesion sets were created on fresh swine cardiac samples using a commercial RFA system. An optically-integrated catheter console fabricated in-house was used for measurement of tissue optical spectra between 600-1000nm. Three dimensional, Spatio-spectral datasets were generated by raster scanning of the optical catheter across the treated sample surface in the presence of whole blood. Tissue optical parameters were recovered at each spatial position using an inverse Monte Carlo method. OSAM biodistribution maps showed stark correspondence with gross examination of tetrazolium chloride stained tissue specimens. Specifically, we demonstrate the ability of OSAM to readily distinguish between shallow and deeper lesions, a limitation faced by current EAM techniques. These results showcase the OSAMs potential for lesion validation strategies for the treatment of cardiac arrhythmias.

A new view for nanoparticle assemblies: from crystalline to binary cooperative complementarity.

PubMed

Yan, Cong; Wang, Tie

2017-03-06

Studies on nanoparticle assemblies and their applications have been research frontiers in nanoscience in the past few decades and remarkable progress has been made in the synthetic strategies and techniques. Recently, the design and fabrication of the nanoparticle-based nanomaterials or nanodevices with integrated and enhanced properties compared to those of the individual components have gradually become the mainstream. However, a systematic solution to provide a big picture for future development and guide the investigation of different aspects of the study of nanoparticle assemblies remains a challenge. The binary cooperative complementary principle could be an answer. The binary cooperative complementary principle is a universal discipline and can describe the fundamental properties of matter from the subatomic particles to the universe. According to its definition, a variety of nanoparticle assemblies, which represent the cutting-edge work in the nanoparticle studies, are naturally binary cooperative complementary materials. Therefore, the introduction of the binary cooperative complementary principle in the studies of nanoparticle assemblies could provide a unique perspective for reviewing this field and help in the design and fabrication of novel functional nanoparticle assemblies.

New software solutions for analytical spectroscopists

NASA Astrophysics Data System (ADS)

Davies, Antony N.

1999-05-01

Analytical spectroscopists must be computer literate to effectively carry out the tasks assigned to them. This has often been resisted within organizations with insufficient funds to equip their staff properly, a lack of desire to deliver the essential training and a basic resistance amongst staff to learn the new techniques required for computer assisted analysis. In the past these problems were compounded by seriously flawed software which was being sold for spectroscopic applications. Owing to the limited market for such complex products the analytical spectroscopist often was faced with buying incomplete and unstable tools if the price was to remain reasonable. Long product lead times meant spectrometer manufacturers often ended up offering systems running under outdated and sometimes obscure operating systems. Not only did this mean special staff training for each instrument where the knowledge gained on one system could not be transferred to the neighbouring system but these spectrometers were often only capable of running in a stand-alone mode, cut-off from the rest of the laboratory environment. Fortunately a number of developments in recent years have substantially changed this depressing picture. A true multi-tasking operating system with a simple graphical user interface, Microsoft Windows NT4, has now been widely introduced into the spectroscopic computing environment which has provided a desktop operating system which has proved to be more stable and robust as well as requiring better programming techniques of software vendors. The opening up of the Internet has provided an easy way to access new tools for data handling and has forced a substantial re-think about results delivery (for example Chemical MIME types, IUPAC spectroscopic data exchange standards). Improved computing power and cheaper hardware now allows large spectroscopic data sets to be handled without too many problems. This includes the ability to carry out chemometric operations in minutes rather than hours. Fast networks now enable data analysis of even multi-dimensional spectroscopic data sets remote from the measuring instrument. A strong tendency to opt for a more unified graphical user interface which is substantially more user friendly allows even inexperienced users to rapidly get acquainted with even the complex mathematical analyses. Some examples of new spectroscopic software products will be given to demonstrate the aforesaid points and highlight the ease of integration into a modern analytical spectroscopy workplace.

Measurement techniques for trace metals in coal-plant effluents: A brief review

NASA Technical Reports Server (NTRS)

Singh, J. J.

1979-01-01

The strong features and limitations of techniques for determining trace elements in aerosols emitted from coal plants are discussed. Techniques reviewed include atomic absorption spectroscopy, charged particle scattering and activation, instrumental neutron activation analysis, gas/liquid chromatography, gas chromatographic/mass spectrometric methods, X-ray fluorescence, and charged-particle-induced X-ray emission. The latter two methods are emphasized. They provide simultaneous, sensitive multielement analyses and lend themselves readily to depth profiling. It is recommended that whenever feasible, two or more complementary techniques should be used for analyzing environmental samples.

Computed tomography for non-destructive evaluation of composites: Applications and correlations

NASA Technical Reports Server (NTRS)

Goldberg, B.; Hediger, L.; Noel, E.

1985-01-01

The state-of-the-art fabrication techniques for composite materials are such that stringent species-specific acceptance criteria must be generated to insure product reliability. Non-destructive evaluation techniques including computed tomography (CT), X-ray radiography (RT), and ultrasonic scanning (UT) are investigated and compared to determine their applicability and limitations to graphite epoxy, carbon-carbon, and carbon-phenolic materials. While the techniques appear complementary, CT is shown to provide significant, heretofore unattainable data. Finally, a correlation of NDE techniques to destructive analysis is presented.

Comparison of Three Optical Methods for Measuring Model Deformation

NASA Technical Reports Server (NTRS)

Burner, A. W.; Fleming, G. A.; Hoppe, J. C.

2000-01-01

The objective of this paper is to compare the current state-of-the-art of the following three optical techniques under study by NASA for measuring model deformation in wind tunnels: (1) video photogrammetry, (2) projection moire interferometry, and (3) the commercially available Optotrak system. An objective comparison of these three techniques should enable the selection of the best technique for a particular test undertaken at various NASA facilities. As might be expected, no one technique is best for all applications. The techniques are also not necessarily mutually exclusive and in some cases can be complementary to one another.

A relation between the characteristic stellar ages of galaxies and their intrinsic shapes

NASA Astrophysics Data System (ADS)

van de Sande, Jesse; Scott, Nicholas; Bland-Hawthorn, Joss; Brough, Sarah; Bryant, Julia J.; Colless, Matthew; Cortese, Luca; Croom, Scott M.; d'Eugenio, Francesco; Foster, Caroline; Goodwin, Michael; Konstantopoulos, Iraklis S.; Lawrence, Jon S.; McDermid, Richard M.; Medling, Anne M.; Owers, Matt S.; Richards, Samuel N.; Sharp, Rob

2018-06-01

Stellar population and stellar kinematic studies provide unique but complementary insights into how galaxies build-up their stellar mass and angular momentum1-3. A galaxy's mean stellar age reveals when stars were formed, but provides little constraint on how the galaxy's mass was assembled. Resolved stellar dynamics4 trace the change in angular momentum due to mergers, but major mergers tend to obscure the effect of earlier interactions5. With the rise of large multi-object integral field spectroscopic surveys, such as SAMI6 and MaNGA7, and single-object integral field spectroscopic surveys (for example, ATLAS3D (ref. 8), CALIFA9, MASSIVE10), it is now feasible to connect a galaxy's star formation and merger history on the same resolved physical scales, over a large range in galaxy mass, morphology and environment4,11,12. Using the SAMI Galaxy Survey, here we present a combined study of spatially resolved stellar kinematics and global stellar populations. We find a strong correlation of stellar population age with location in the (V/σ, ɛe) diagram that links the ratio of ordered rotation to random motions in a galaxy to its observed ellipticity. For the large majority of galaxies that are oblate rotating spheroids, we find that characteristic stellar age follows the intrinsic ellipticity of galaxies remarkably well.

Survey of Gravitationally-lensed Objects in HSC Imaging (SuGOHI). I. Automatic search for galaxy-scale strong lenses

NASA Astrophysics Data System (ADS)

Sonnenfeld, Alessandro; Chan, James H. H.; Shu, Yiping; More, Anupreeta; Oguri, Masamune; Suyu, Sherry H.; Wong, Kenneth C.; Lee, Chien-Hsiu; Coupon, Jean; Yonehara, Atsunori; Bolton, Adam S.; Jaelani, Anton T.; Tanaka, Masayuki; Miyazaki, Satoshi; Komiyama, Yutaka

2018-01-01

The Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) is an excellent survey for the search for strong lenses, thanks to its area, image quality, and depth. We use three different methods to look for lenses among 43000 luminous red galaxies from the Baryon Oscillation Spectroscopic Survey (BOSS) sample with photometry from the S16A internal data release of the HSC-SSP. The first method is a newly developed algorithm, named YATTALENS, which looks for arc-like features around massive galaxies and then estimates the likelihood of an object being a lens by performing a lens model fit. The second method, CHITAH, is a modeling-based algorithm originally developed to look for lensed quasars. The third method makes use of spectroscopic data to look for emission lines from objects at a different redshift from that of the main galaxy. We find 15 definite lenses, 36 highly probable lenses, and 282 possible lenses. Among the three methods, YATTALENS, which was developed specifically for this study, performs best in terms of both completeness and purity. Nevertheless, five highly probable lenses were missed by YATTALENS but found by the other two methods, indicating that the three methods are highly complementary. Based on these numbers, we expect to find ˜300 definite or probable lenses by the end of the HSC-SSP.

Correlative Energy-Dispersive X-Ray Spectroscopic Tomography and Atom Probe Tomography of the Phase Separation in an Alnico 8 Alloy.

PubMed

Guo, Wei; Sneed, Brian T; Zhou, Lin; Tang, Wei; Kramer, Matthew J; Cullen, David A; Poplawsky, Jonathan D

2016-12-01

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology and volume fractions of Fe-Co-rich and Νi-Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2-4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. The complementary benefits and challenges associated with correlative STEM-EDS and APT are discussed.

Correlative Energy-Dispersive X-Ray Spectroscopic Tomography and Atom Probe Tomography of the Phase Separation in an Alnico 8 Alloy

DOE PAGES

Guo, Wei; Sneed, Brian T.; Zhou, Lin; ...

2016-12-21

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology andmore » volume fractions of Fe–Co-rich and Νi–Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2–4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. Lastly, we discuss the complementary benefits and challenges associated with correlative STEM-EDS and APT.« less

A relation between the characteristic stellar ages of galaxies and their intrinsic shapes

NASA Astrophysics Data System (ADS)

van de Sande, Jesse; Scott, Nicholas; Bland-Hawthorn, Joss; Brough, Sarah; Bryant, Julia J.; Colless, Matthew; Cortese, Luca; Croom, Scott M.; d'Eugenio, Francesco; Foster, Caroline; Goodwin, Michael; Konstantopoulos, Iraklis S.; Lawrence, Jon S.; McDermid, Richard M.; Medling, Anne M.; Owers, Matt S.; Richards, Samuel N.; Sharp, Rob

2018-04-01

Stellar population and stellar kinematic studies provide unique but complementary insights into how galaxies build-up their stellar mass and angular momentum1-3. A galaxy's mean stellar age reveals when stars were formed, but provides little constraint on how the galaxy's mass was assembled. Resolved stellar dynamics4 trace the change in angular momentum due to mergers, but major mergers tend to obscure the effect of earlier interactions5. With the rise of large multi-object integral field spectroscopic surveys, such as SAMI6 and MaNGA7, and single-object integral field spectroscopic surveys (for example, ATLAS3D (ref. 8), CALIFA9, MASSIVE10), it is now feasible to connect a galaxy's star formation and merger history on the same resolved physical scales, over a large range in galaxy mass, morphology and environment4,11,12. Using the SAMI Galaxy Survey, here we present a combined study of spatially resolved stellar kinematics and global stellar populations. We find a strong correlation of stellar population age with location in the (V/σ, ɛe) diagram that links the ratio of ordered rotation to random motions in a galaxy to its observed ellipticity. For the large majority of galaxies that are oblate rotating spheroids, we find that characteristic stellar age follows the intrinsic ellipticity of galaxies remarkably well.

Elemental imaging at the nanoscale: NanoSIMS and complementary techniques for element localisation in plants.

PubMed

Moore, Katie L; Lombi, Enzo; Zhao, Fang-Jie; Grovenor, Chris R M

2012-04-01

The ability to locate and quantify elemental distributions in plants is crucial to understanding plant metabolisms, the mechanisms of uptake and transport of minerals and how plants cope with toxic elements or elemental deficiencies. High-resolution secondary ion mass spectrometry (SIMS) is emerging as an important technique for the analysis of biological material at the subcellular scale. This article reviews recent work using the CAMECA NanoSIMS to determine elemental distributions in plants. The NanoSIMS is able to map elemental distributions at high resolution, down to 50 nm, and can detect very low concentrations (milligrams per kilogram) for some elements. It is also capable of mapping almost all elements in the periodic table (from hydrogen to uranium) and can distinguish between stable isotopes, which allows the design of tracer experiments. In this review, particular focus is placed upon studying the same or similar specimens with both the NanoSIMS and a wide range of complementary techniques, showing how the advantages of each technique can be combined to provide a fuller data set to address complex scientific questions. Techniques covered include optical microscopy, synchrotron techniques, including X-ray fluorescence and X-ray absorption spectroscopy, transmission electron microscopy, electron probe microanalysis, particle-induced X-ray emission and inductively coupled plasma mass spectrometry. Some of the challenges associated with sample preparation of plant material for SIMS analysis, the artefacts and limitations of the technique and future trends are also discussed.

Highly accelerated lifetime for externally applied bond critical fiber-reinforced polymer (FRP) infrastructure materials.

DOT National Transportation Integrated Search

2014-03-01

This report describes a research project to investigate accelerated aging protocols for fiber-reinforced : polymer (FRP) reinforcement of concrete. This research was conducted in three stages. In the first : stage, various spectroscopic techniques we...

Direct Determination of Nonmetals in Solution with Atomic Spectrometry.

ERIC Educational Resources Information Center

McGregor, David A.; And Others

1988-01-01

Addresses solution nonmetal determinations on a fundamental level. Characterizes research in this area of chemical instrumentation. Discusses the fundamental limitations of nonmetal atomic spectrometry, the status of nonmetals and atomic spectroscopic techniques, and current directions in solution nonmetal determinations. (CW)

Fluorescence Lifetime Study of Cyclodextrin Complexes of Substituted Naphthalenes.

DTIC Science & Technology

1987-08-15

Spectroscopy iip 17. COSATI CODES 18. SUBJECT TERMS (Continue on reverse If necessary and identify by block number) FIELD GROUP SUB-GROUP fluorescence lifetime...measurements cyclodextrins spectroscopic techniques 19. TRACT (Continue on revere if necsary and identify by block number

Two new C19-diterpenoid alkaloids from Aconitum tsaii.

PubMed

Li, Gui-Qiong; Zhang, Li-Mei; Zhao, Da-Ke; Chen, Yan-Ping; Shen, Yong

2017-05-01

Two new C 19 -diterpenoid alkaloids, 14-benzoylliljestrandisine (1) and 14-anisoylliljestrandisine (2), were isolated from the roots of Aconitum tsaii. Their structures were elucidated by different spectroscopic (IR, UV, 1D and 2D NMR) and mass-spectrometric techniques.

Genomic understanding of glioblastoma expanded

Cancer.gov

Glioblastoma multiforme (GBM) was the first cancer type to be systematically studied by TCGA in 2008. In a new, complementary report, TCGA experts examined more than 590 GBM samples--the largest to date utilizing genomic characterization techniques and ne

Probing plasmons in three dimensions by combining complementary spectroscopies in a scanning transmission electron microscope

DOE PAGES

Hachtel, Jordan A.; Marvinney, Claire; Mouti, Anas; ...

2016-03-02

The nanoscale optical response of surface plasmons in three-dimensional metallic nanostructures plays an important role in many nanotechnology applications, where precise spatial and spectral characteristics of plasmonic elements control device performance. Electron energy loss spectroscopy (EELS) and cathodoluminescence (CL) within a scanning transmission electron microscope have proven to be valuable tools for studying plasmonics at the nanoscale. Each technique has been used separately, producing three-dimensional reconstructions through tomography, often aided by simulations for complete characterization. Here we demonstrate that the complementary nature of the two techniques, namely that EELS probes beam-induced electronic excitations while CL probes radiative decay, allows usmore » to directly obtain a spatially- and spectrally-resolved picture of the plasmonic characteristics of nanostructures in three dimensions. Furthermore, the approach enables nanoparticle-by-nanoparticle plasmonic analysis in three dimensions to aid in the design of diverse nanoplasmonic applications.« less

High performance Si nanowire field-effect-transistors based on a CMOS inverter with tunable threshold voltage.

PubMed

Van, Ngoc Huynh; Lee, Jae-Hyun; Sohn, Jung Inn; Cha, Seung Nam; Whang, Dongmok; Kim, Jong Min; Kang, Dae Joon

2014-05-21

We successfully fabricated nanowire-based complementary metal-oxide semiconductor (NWCMOS) inverter devices by utilizing n- and p-type Si nanowire field-effect-transistors (NWFETs) via a low-temperature fabrication processing technique. We demonstrate that NWCMOS inverter devices can be operated at less than 1 V, a significantly lower voltage than that of typical thin-film based complementary metal-oxide semiconductor (CMOS) inverter devices. This low-voltage operation was accomplished by controlling the threshold voltage of the n-type Si NWFETs through effective management of the nanowire (NW) doping concentration, while realizing high voltage gain (>10) and ultra-low static power dissipation (≤3 pW) for high-performance digital inverter devices. This result offers a viable means of fabricating high-performance, low-operation voltage, and high-density digital logic circuits using a low-temperature fabrication processing technique suitable for next-generation flexible electronics.

Data fusion in X-ray computed tomography using a superiorization approach.

PubMed

Schrapp, Michael J; Herman, Gabor T

2014-05-01

X-ray computed tomography (CT) is an important and widespread inspection technique in industrial non-destructive testing. However, large-sized and heavily absorbing objects cause artifacts due to either the lack of penetration of the specimen in specific directions or by having data from only a limited angular range of views. In such cases, valuable information about the specimen is not revealed by the CT measurements alone. Further imaging modalities, such as optical scanning and ultrasonic testing, are able to provide data (such as an edge map) that are complementary to the CT acquisition. In this paper, a superiorization approach (a newly developed method for constrained optimization) is used to incorporate the complementary data into the CT reconstruction; this allows precise localization of edges that are not resolvable from the CT data by itself. Superiorization, as presented in this paper, exploits the fact that the simultaneous algebraic reconstruction technique (SART), often used for CT reconstruction, is resilient to perturbations; i.e., it can be modified to produce an output that is as consistent with the CT measurements as the output of unmodified SART, but is more consistent with the complementary data. The application of this superiorized SART method to measured data of a turbine blade demonstrates a clear improvement in the quality of the reconstructed image.

Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phillips, Mark C.; Bernacki, Bruce E.

2015-03-11

Infrared laser spectroscopy of explosives is a promising technique for standoff and non-contact detection applications. However, the interpretation of spectra obtained in typical standoff measurement configurations presents numerous challenges. Understanding the variability in observed spectra from explosives residues and particles is crucial for design and implementation of detection algorithms with high detection confidence and low false alarm probability. We discuss a series of infrared spectroscopic techniques applied toward measuring and interpreting the reflectance spectra obtained from explosives particles and residues. These techniques utilize the high spectral radiance, broad tuning range, rapid wavelength tuning, high scan reproducibility, and low noise ofmore » an external cavity quantum cascade laser (ECQCL) system developed at Pacific Northwest National Laboratory. The ECQCL source permits measurements in configurations which would be either impractical or overly time-consuming with broadband, incoherent infrared sources, and enables a combination of rapid measurement speed and high detection sensitivity. The spectroscopic methods employed include standoff hyperspectral reflectance imaging, quantitative measurements of diffuse reflectance spectra, reflection-absorption infrared spectroscopy, microscopic imaging and spectroscopy, and nano-scale imaging and spectroscopy. Measurements of explosives particles and residues reveal important factors affecting observed reflectance spectra, including measurement geometry, substrate on which the explosives are deposited, and morphological effects such as particle shape, size, orientation, and crystal structure.« less

Optical spectroscopic analysis for the discrimination of extra-virgin olive-oil (Conference Presentation)

NASA Astrophysics Data System (ADS)

McReynolds, Naomi; Auñón Garcia, Juan M.; Guengerich, Zoe; Smith, Terry K.; Dholakia, Kishan

2017-02-01

We present an optical spectroscopic technique, making use of both Raman signals and fluorescence spectroscopy, for the identification of five brands of commercially available extra-virgin olive-oil (EVOO). We demonstrate our technique on both a `bulk-optics' free-space system and a compact device. Using the compact device, which is capable of recording both Raman and fluorescence signals, we achieved an average sensitivity and specificity of 98.4% and 99.6% for discrimination, respectively. Our approach demonstrates that both Raman and fluorescence spectroscopy can be used for portable discrimination of EVOOs which obviates the need to use centralised laboratories and opens up the prospect of in-field testing. This technique may enable detection of EVOO that has undergone counterfeiting or adulteration. One of the main challenges facing Raman spectroscopy for use in quality control of EVOOs is that the oxidation of EVOO, which naturally occurs due to aging, causes shifts in Raman spectra with time, which implies regular retraining would be necessary. We present a potential method of analysis to minimize the effect that aging has on discrimination efficiency; we show that by discarding the first principal component, which contains information on the variations due to oxidation, we can improve discrimination efficiency thus improving the robustness of our technique.

Effect of the solvent environment on the spectroscopic properties and dynamics of the lowest excited states of carotenoids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, H.A.; Bautista, J.A.; Josue, J.

2000-05-11

The spectroscopic properties and dynamics of the lowest excited singlet states of peridinin, fucoxanthin, neoxanthin, uriolide acetate, spheroidene, and spheroidenone in several different solvents have been studied by steady-state absorption and fast-transient optical spectroscopic techniques. Peridinin, fucoxanthin, uriolide acetate, and spheroidenone, which contain carbonyl functional groups in conjugation with the carbon-carbon {pi}-electron system, display broader absorption spectral features and are affected more by the solvent environment than neoxanthin and spheroidene, which do not contain carbonyl functional groups. The possible sources of the spectral broadening are explored by examining the absorption spectra at 77 K in glassy solvents. Also, carotenoids whichmore » contain carbonyls have complex transient absorption spectra and show a pronounced dependence of the excited singlet state lifetime on the solvent environment. It is postulated that these effects are related to the presence of an intramolecular charge transfer state strongly coupled to the S{sub 1} (2{sup 1}A{sub g}) excited singlet state. Structural variations in the series of carotenoids studied here make it possible to focus on the general molecular features that control the spectroscopic and dynamic properties of carotenoids.« less

Spectroscopic investigation on structure and pH dependent Cocrystal formation between gamma-aminobutyric acid and benzoic acid

NASA Astrophysics Data System (ADS)

Du, Yong; Xue, Jiadan; Cai, Qiang; Zhang, Qi

2018-02-01

Vibrational spectroscopic methods, including terahertz absorption and Raman scattering spectroscopy, were utilized for the characterization and analysis of gamma-aminobutyric acid (GABA), benzoic acid (BA), and the corresponding GABA-BA cocrystal formation under various pH values of aqueous solution. Vibrational spectroscopic results demonstrated that the solvent GABA-BA cocrystal, similar as grinding counterpart, possessed unique characteristic features compared with that of starting parent compounds. The change of vibrational modes for GABA-BA cocrystal comparing with starting components indicates there is strong inter-molecular interaction between GABA and BA molecules during its cocrystallization process. Formation of GABA-BA cocrystal under slow solvent evaporation is impacted by the pH value of aqueous solution. Vibrational spectra indicate that the GABA-BA cocrystal could be stably formed with the solvent condition of 2.00 ≤ pH ≤ 7.00. In contrast, such cocrystallization did not occur and the cocrystal would dissociate into its parent components when the pH value of solvent is lower than 2.00. This study provides experimental benchmark to discriminate and identify the structure of cocrystal and also pH-dependent cocrystallization effect with vibrational spectroscopic techniques in solid-state pharmaceutical fields.

Recent advances in the applications of vibrational spectroscopic imaging and mapping to pharmaceutical formulations

NASA Astrophysics Data System (ADS)

Ewing, Andrew V.; Kazarian, Sergei G.

2018-05-01

Vibrational spectroscopic imaging and mapping approaches have continued in their development and applications for the analysis of pharmaceutical formulations. Obtaining spatially resolved chemical information about the distribution of different components within pharmaceutical formulations is integral for improving the understanding and quality of final drug products. This review aims to summarise some key advances of these technologies over recent years, primarily since 2010. An overview of FTIR, NIR, terahertz spectroscopic imaging and Raman mapping will be presented to give a perspective of the current state-of-the-art of these techniques for studying pharmaceutical samples. This will include their application to reveal spatial information of components that reveals molecular insight of polymorphic or structural changes, behaviour of formulations during dissolution experiments, uniformity of materials and detection of counterfeit products. Furthermore, new advancements will be presented that demonstrate the continuing novel applications of spectroscopic imaging and mapping, namely in FTIR spectroscopy, for studies of microfluidic devices. Whilst much of the recently developed work has been reported by academic groups, examples of the potential impacts of utilising these imaging and mapping technologies to support industrial applications have also been reviewed.

Hyphenation of Raman spectroscopy with gravimetric analysis to interrogate water-solid interactions in pharmaceutical systems.

PubMed

Gift, Alan D; Taylor, Lynne S

2007-01-04

A moisture sorption gravimetric analyzer has been combined with a Raman spectrometer to better understand the various modes of water-solid interactions relevant to pharmaceutical systems. A commercial automated moisture sorption balance was modified to allow non-contact monitoring of the sample properties by interfacing a Raman probe with the sample holder. This hybrid instrument allows for gravimetric and spectroscopic changes to be monitored simultaneously. The utility of this instrument was demonstrated by investigating different types of water-solid interactions including stoichiometric and non-stoichiometric hydrate formation, deliquescence, amorphous-crystalline transformation, and capillary condensation. In each of the model systems, sulfaguanidine, cromolyn sodium, ranitidine HCl, amorphous sucrose and silica gel, spectroscopic changes were observed during the time course of the moisture sorption profile. Analysis of spectroscopic data provided information about the origin of the observed changes in moisture content as a function of relative humidity. Furthermore, multivariate data analysis techniques were employed as a means of processing the spectroscopic data. Principle components analysis was found to be useful to aid in data processing, handling and interpretation of the spectral changes that occurred during the time course of the moisture sorption profile.

Synthesis of an oligonucleotide-derivatized amphipol and its use to trap and immobilize membrane proteins

PubMed Central

Bon, Christel Le; Della Pia, Eduardo Antonio; Giusti, Fabrice; Lloret, Noémie; Zoonens, Manuela; Martinez, Karen L.; Popot, Jean-Luc

2014-01-01

Amphipols (APols) are specially designed amphipathic polymers that stabilize membrane proteins (MPs) in aqueous solutions in the absence of detergent. A8–35, a polyacrylate-based APol, has been grafted with an oligodeoxynucleotide (ODN). The synthesis, purification and properties of the resulting ‘OligAPol’ have been investigated. Grafting was performed by reacting an ODN carrying an amine-terminated arm with the carboxylates of A8–35. The use of OligAPol for trapping MPs and immobilizing them onto solid supports was tested using bacteriorhodopsin (BR) and the transmembrane domain of Escherichia coli outer membrane protein A (tOmpA) as model proteins. BR and OligAPol form water-soluble complexes in which BR remains in its native conformation. Hybridization of the ODN arm with a complementary ODN was not hindered by the assembly of OligAPol into particles, nor by its association with BR. BR/OligAPol and tOmpA/OligAPol complexes could be immobilized onto either magnetic beads or gold nanoparticles grafted with the complementary ODN, as shown by spectroscopic measurements, fluorescence microscopy and the binding of anti-BR and anti-tOmpA antibodies. OligAPols provide a novel, highly versatile approach to tagging MPs, without modifying them chemically nor genetically, for specific, reversible and targetable immobilization, e.g. for nanoscale applications. PMID:24744236

An Overview on the Importance of Combining Complementary Analytical Platforms in Metabolomic Research.

PubMed

Gonzalez-Dominguez, Alvaro; Duran-Guerrero, Enrique; Fernandez-Recamales, Angeles; Lechuga-Sancho, Alfonso Maria; Sayago, Ana; Schwarz, Monica; Segundo, Carmen; Gonzalez-Dominguez, Raul

2017-01-01

The analytical bias introduced by most of the commonly used techniques in metabolomics considerably hinders the simultaneous detection of all metabolites present in complex biological samples. In order to solve this limitation, the combination of complementary approaches is emerging in recent years as the most suitable strategy in order to maximize metabolite coverage. This review article presents a general overview of the most important analytical techniques usually employed in metabolomics: nuclear magnetic resonance, mass spectrometry and hybrid approaches. Furthermore, we emphasize the potential of integrating various tools in the form of metabolomic multi-platforms in order to get a deeper metabolome characterization, for which a revision of the existing literature in this field is provided. This review is not intended to be exhaustive but, rather, to give a practical and concise guide to readers not familiar with analytical chemistry on the considerations to account for the proper selection of the technique to be used in a metabolomic experiment in biomedical research. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Dark-matter decay as a complementary probe of multicomponent dark sectors.

PubMed

Dienes, Keith R; Kumar, Jason; Thomas, Brooks; Yaylali, David

2015-02-06

In single-component theories of dark matter, the 2→2 amplitudes for dark-matter production, annihilation, and scattering can be related to each other through various crossing symmetries. The detection techniques based on these processes are thus complementary. However, multicomponent theories exhibit an additional direction for dark-matter complementarity: the possibility of dark-matter decay from heavier to lighter components. We discuss how this new detection channel may be correlated with the others, and demonstrate that the enhanced complementarity which emerges can be an important ingredient in probing and constraining the parameter spaces of such models.

Implications of the Babinet Principle for Casimir interactions

NASA Astrophysics Data System (ADS)

Maghrebi, Mohammad F.; Jaffe, Robert L.; Abravanel, Ronen

2011-09-01

We formulate the Babinet Principle (BP) as a relation between scattering amplitudes and combine it with multiple scattering techniques to derive new properties of electromagnetic Casimir forces. We show that the Casimir force exerted by a planar conductor or dielectric on a self-complementary perforated planar mirror is approximately half that on a uniform mirror independent of the distance between them. Also, the BP suggests that Casimir edge effects are generically anomalously small. Furthermore, the BP can be used to relate any planar object to its complementary geometry, a relation we use to estimate Casimir forces between two screens with apertures.

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

PubMed

Wang, Pei; Yu, Zhiguo

2015-10-01

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

Free-Energy Profiles of Membrane Insertion of the M2 Transmembrane Peptide from Influenza A Virus

DTIC Science & Technology

2008-12-01

ABSTRACT The insertion of the M2 transmembrane peptide from influenza A virus into a membrane has been studied with molecular - dynamics simulations ...performed replica-exchange molecular - dynamics simulations with umbrella-sampling techniques to characterize the probability distribution and conformation...atomic- detailed molecular dynamics (MD) simulation techniques represent a valuable complementary methodology to inves- tigate membrane-insertion of

Terahertz spectroscopic polarimetry of generalized anisotropic media composed of Archimedean spiral arrays: Experiments and simulations.

PubMed

Aschaffenburg, Daniel J; Williams, Michael R C; Schmuttenmaer, Charles A

2016-05-07

Terahertz time-domain spectroscopic polarimetry has been used to measure the polarization state of all spectral components in a broadband THz pulse upon transmission through generalized anisotropic media consisting of two-dimensional arrays of lithographically defined Archimedean spirals. The technique allows a full determination of the frequency-dependent, complex-valued transmission matrix and eigenpolarizations of the spiral arrays. Measurements were made on a series of spiral array orientations. The frequency-dependent transmission matrix elements as well as the eigenpolarizations were determined, and the eigenpolarizations were found be to elliptically corotating, as expected from their symmetry. Numerical simulations are in quantitative agreement with measured spectra.

Hemodynamic analysis of patients in intensive care unit based on diffuse optical spectroscopic imaging system

NASA Astrophysics Data System (ADS)

Hsieh, Yao-Sheng; Wang, Chun-Yang; Ling, Yo-Wei; Chuang, Ming-Lung; Chuang, Ching-Cheng; Tsai, Jui-che; Lu, Chih-Wei; Sun, Chia-Wei

2010-02-01

Diffuse optical spectroscopic imaging (DOSI) is a technique to assess the spatial variation in absorption and scattering properties of the biological tissues and provides the monitoring of changes in concentrations of oxy-hemoglobin and deoxy-hemoglobin. In our preliminary study, the temporal tracings of hemodynamic oxygenation are measured with DOSI and venous occlusion test (VOT) from normal subjects, patients with heart failure and patients with sepsis in intensive care unit (ICU). In experiments, the obvious differences of hemodynamic signals can be observed among the three groups. The physiological relevance of VOT hemodynamics with respect to diseases is also discussed in this paper.

Performance of a Diaphragmed Microlens for a Packaged Microspectrometer

PubMed Central

Lo, Joe; Chen, Shih-Jui; Fang, Qiyin; Papaioannou, Thanassis; Kim, Eun-Sok; Gundersen, Martin; Marcu, Laura

2009-01-01

This paper describes the design, fabrication, packaging and testing of a microlens integrated in a multi-layered MEMS microspectrometer. The microlens was fabricated using modified PDMS molding to form a suspended lens diaphragm. Gaussian beam propagation model was used to measure the focal length and quantify M2 value of the microlens. A tunable calibration source was set up to measure the response of the packaged device. Dual wavelength separation by the packaged device was demonstrated by CCD imaging and beam profiling of the spectroscopic output. We demonstrated specific techniques to measure critical parameters of microoptics systems for future optimization of spectroscopic devices. PMID:22399943

Applications of absorption spectroscopy using quantum cascade lasers.

PubMed

Zhang, Lizhu; Tian, Guang; Li, Jingsong; Yu, Benli

2014-01-01

Infrared laser absorption spectroscopy (LAS) is a promising modern technique for sensing trace gases with high sensitivity, selectivity, and high time resolution. Mid-infrared quantum cascade lasers, operating in a pulsed or continuous wave mode, have potential as spectroscopic sources because of their narrow linewidths, single mode operation, tunability, high output power, reliability, low power consumption, and compactness. This paper reviews some important developments in modern laser absorption spectroscopy based on the use of quantum cascade laser (QCL) sources. Among the various laser spectroscopic methods, this review is focused on selected absorption spectroscopy applications of QCLs, with particular emphasis on molecular spectroscopy, industrial process control, combustion diagnostics, and medical breath analysis.

Mg co-ordination with potential carcinogenic molecule acrylamide: Spectroscopic, computational and cytotoxicity studies

NASA Astrophysics Data System (ADS)

Singh, Ranjana; Mishra, Vijay K.; Singh, Hemant K.; Sharma, Gunjan; Koch, Biplob; Singh, Bachcha; Singh, Ranjan K.

2018-03-01

Acrylamide (acr) is a potential toxic molecule produced in thermally processed food stuff. Acr-Mg complex has been synthesized chemically and characterized by spectroscopic techniques. The binding sites of acr with Mg were identified by experimental and computational methods. Both experimental and theoretical results suggest that Mg coordinated with the oxygen atom of Cdbnd O group of acr. In-vitro cytotoxicity studies revealed significant decrease in the toxic level of acr-Mg complex as compared to pure acr. The decrease in toxicity on complexation with Mg may be a useful step for future research to reduce the toxicity of acr.

Comprehensive study of solid pharmaceutical tablets in visible, near infrared (NIR), and longwave infrared (LWIR) spectral regions using a rapid simultaneous ultraviolet/visible/NIR (UVN) + LWIR laser-induced breakdown spectroscopy linear arrays detection system and a fast acousto-optic tunable filter NIR spectrometer.

PubMed

Yang, Clayton S C; Jin, Feng; Swaminathan, Siva R; Patel, Sita; Ramer, Evan D; Trivedi, Sudhir B; Brown, Ei E; Hommerich, Uwe; Samuels, Alan C

2017-10-30

This is the first report of a simultaneous ultraviolet/visible/NIR and longwave infrared laser-induced breakdown spectroscopy (UVN + LWIR LIBS) measurement. In our attempt to study the feasibility of combining the newly developed rapid LWIR LIBS linear array detection system to existing rapid analytical techniques for a wide range of chemical analysis applications, two different solid pharmaceutical tablets, Tylenol arthritis pain and Bufferin, were studied using both a recently designed simultaneous UVN + LWIR LIBS detection system and a fast AOTF NIR (1200 to 2200 nm) spectrometer. Every simultaneous UVN + LWIR LIBS emission spectrum in this work was initiated by one single laser pulse-induced micro-plasma in the ambient air atmosphere. Distinct atomic and molecular LIBS emission signatures of the target compounds measured simultaneously in UVN (200 to 1100 nm) and LWIR (5.6 to 10 µm) spectral regions are readily detected and identified without the need to employ complex data processing. In depth profiling studies of these two pharmaceutical tablets without any sample preparation, one can easily monitor the transition of the dominant LWIR emission signatures from coating ingredients gradually to the pharmaceutical ingredients underneath the coating. The observed LWIR LIBS emission signatures provide complementary molecular information to the UVN LIBS signatures, thus adding robustness to identification procedures. LIBS techniques are more surface specific while NIR spectroscopy has the capability to probe more bulk materials with its greater penetration depth. Both UVN + LWIR LIBS and NIR absorption spectroscopy have shown the capabilities of acquiring useful target analyte spectral signatures in comparable short time scales. The addition of a rapid LWIR spectroscopic probe to these widely used optical analytical methods, such as NIR spectroscopy and UVN LIBS, may greatly enhance the capability and accuracy of the combined system for a comprehensive analysis.

Designing and benchmarking the MULTICOM protein structure prediction system

PubMed Central

2013-01-01

Background Predicting protein structure from sequence is one of the most significant and challenging problems in bioinformatics. Numerous bioinformatics techniques and tools have been developed to tackle almost every aspect of protein structure prediction ranging from structural feature prediction, template identification and query-template alignment to structure sampling, model quality assessment, and model refinement. How to synergistically select, integrate and improve the strengths of the complementary techniques at each prediction stage and build a high-performance system is becoming a critical issue for constructing a successful, competitive protein structure predictor. Results Over the past several years, we have constructed a standalone protein structure prediction system MULTICOM that combines multiple sources of information and complementary methods at all five stages of the protein structure prediction process including template identification, template combination, model generation, model assessment, and model refinement. The system was blindly tested during the ninth Critical Assessment of Techniques for Protein Structure Prediction (CASP9) in 2010 and yielded very good performance. In addition to studying the overall performance on the CASP9 benchmark, we thoroughly investigated the performance and contributions of each component at each stage of prediction. Conclusions Our comprehensive and comparative study not only provides useful and practical insights about how to select, improve, and integrate complementary methods to build a cutting-edge protein structure prediction system but also identifies a few new sources of information that may help improve the design of a protein structure prediction system. Several components used in the MULTICOM system are available at: http://sysbio.rnet.missouri.edu/multicom_toolbox/. PMID:23442819

Using complementary tools to characterize the effects of radiation in electro-optic polymeric materials

NASA Astrophysics Data System (ADS)

Perez-Moreno, Javier

2015-09-01

Understanding the fundamental mechanisms behind the radiation resistance of polymers and molecules would allow us to tailor new materials with enhanced performance in space and adverse environments. Previous studies of the radiation effects on polymer-based photonic materials indicate that they are very dependent on the choice of polymer-host and guest-chromophores. The best results have been reported from the combination of CLD1 as a guest-chromophore doped in APC as host polymer, where improvement of the performance was observed upon gamma-irradiation at moderate doses. In this paper, we report on the different complementary tools that have been tried to characterize the origin of such enhancement: characterization of the linear and nonlinear response, characterization of chemical properties, and application of an all-optical protocol. We derive some general conclusions by contrasting the results of each characterization, and propose complementary experiments based on microscopy techniques.

Ground Characterization Studies in Canakkale Pilot Site of LIQUEFACT Project

NASA Astrophysics Data System (ADS)

Ozcep, F.; Oztoprak, S.; Aysal, N.; Bozbey, I.; Tezel, O.; Ozer, C.; Sargin, S.; Bekin, E.; Almasraf, M.; Cengiz Cinku, M.; Ozdemir, K.

2017-12-01

The our aim is to outline the ground characterisation studies in Canakkale test site. Study is based on the EU H2020 LIQUEFACT project entitled "Liquefact: Assessment and mitigation of liquefaction potential across Europe: a holistic approach to protect structures / infrastructures for improved resilience to earthquake-induced liquefaction disasters". Objectives and extent of ground characterization for Canakkale test site includes pre-existing soil investigation studies and complementary field studies. There were several SPT and geophysical tests carried out in the study area. Within the context of the complementary tests, six (6) study areas in the test site were chosen and complementary tests were carried out in these areas. In these areas, additional boreholes were opened and SPT tests were performed. It was decided that additional CPT (CPTU and SCPT) and Marchetti Dilatometer (DMT) tests should be carried out within the scope of the complementary testing. Seismic refraction, MASW and micro tremor measurements had been carried out in pre-existing studies. Shear wave velocities obtained from MASW measurements were evaluated to the most rigorous level. These tests were downhole seismic, PS-logging, seismic refraction, 2D-ReMi, MASW, micro tremor (H/V Nakamura method), 2D resistivity and resonance acoustic profiling (RAP). RAP is a new technique which will be explained briefly in the relevant section. Dynamic soil properties had not been measured in pre-existing studies, therefore these properties were investigated within the scope of the complementary tests. Selection of specific experimental tests of the complementary campaign was based on cost-benefit considerations Within the context of complementary field studies, dynamic soil properties were measured using resonant column and cyclic direct shear tests. Several sieve analyses and Atterberg Limits tests which were documented in the pre-existing studies were evaluated. In the complementary study carried out, additional sieve analyses and Atterberg Limit tests were carried out. It was aimed to make some correlations between geophysical measurements and other field measurements; such as SPT, blow count values.

A new flavonoid from the aerial parts of Tridax procumbens.

PubMed

Ali, M; Ravinder, E; Ramachandram, R

2001-03-01

A new flavonoid (procumbenetin), isolated from the aerial parts of Tridax procumbens, has been characterised as 3,6-dimethoxy-5,7,2',3',4'-pentahydroxyflavone 7-O-beta-D-glucopyranoside (1) on the basis of spectroscopic techniques and by chemical means.

Thermal Degradation and Identification of Heat-Sensitive Polymers

ERIC Educational Resources Information Center

Clough, Stuart C.; Goldman, Emma W.

2005-01-01

A study demonstrates the thermal degradation of two heat-sensitive polymers, namely, polystyrene and poly (methyl methacrylate). The experiment described in the study introduces undergraduate students to polymer structure as well as the application of spectroscopic techniques to the solution of structural problems.

Epoxidation of Alpha-Methylstyrene and its Lewis Acid Rearrangement to 2-Phenylpropanal

NASA Astrophysics Data System (ADS)

Garin, David L.; Gamber, Melissa; Rowe, Bradley J.

1996-06-01

This undergraduate organic lab experiment includes procedures for the peracid epoxidation of an olefin and the Lewis acid rearrangement of an epoxide to a carbonyl compound. Product mixtures and transformations can be readily analyzed by several spectroscopic techniques.

Optical spectroscopic characteristics of lactate and mitochondrion as new biomarkers in cancer diagnosis: understanding Warburg effect

NASA Astrophysics Data System (ADS)

Liu, C.-H.; Ni, X. H.; Pu, Yang; Yang, Y. L.; Zhou, F.; Zuzolo, R.; Wang, W. B.; Masilamani, V.; Rizwan, A.; Alfano, R. R.

2012-01-01

Cancer cells display high rates of glycolysis even under normoxia and mostly under hypoxia. Warburg proposed this effect of altered metabolism in cells more than 80 years ago. It is considered as a hallmark of cancer. Optical spectroscopy can be used to explore this effect. Pathophysiological studies indicate that mitochondria of cancer cells are enlarged and increased in number. Warburg observed that cancer cells tend to convert most glucose to lactate regardless of the presence of oxygen. Previous observations show increased lactate in breast cancer lines. The focus of this study is to investigate the relative content changes of lactate and mitochondria in human cancerous and normal breast tissue samples using optical spectroscopic techniques. The optical spectra were obtained from 30 cancerous and 25 normal breast tissue samples and five model components (Tryptophan, fat, collagen, lactate and mitochondrion) using fluorescence, Stokes shift and Raman spectroscopy. The basic biochemical component analysis model (BBCA) and a set of algorithm were used to analyze the spectra. Our analyses of fluorescence spectra showed a 14 percent increase in lactate content and 2.5 times increase in mitochondria number in cancerous breast tissue as compared with normal tissue. Our findings indicate that optical spectroscopic techniques may be used to understand Warburg effect. Lactate and mitochondrion content changes in tumors examined using optical spectroscopy may be used as a prognostic molecular marker in clinic applications.

A comparative spectroscopic and kinetic study of photoexcitations in detergent-isolated and membrane-embedded LH2 light-harvesting complexes.

PubMed

Freiberg, Arvi; Rätsep, Margus; Timpmann, Kõu

2012-08-01

Integral membrane proteins constitute more than third of the total number of proteins present in organisms. Solubilization with mild detergents is a common technique to study the structure, dynamics, and catalytic activity of these proteins in purified form. However beneficial the use of detergents may be for protein extraction, the membrane proteins are often denatured by detergent solubilization as a result of native lipid membrane interactions having been modified. Versatile investigations of the properties of membrane-embedded and detergent-isolated proteins are, therefore, required to evaluate the consequences of the solubilization procedure. Herein, the spectroscopic and kinetic fingerprints have been established that distinguish excitons in individual detergent-solubilized LH2 light-harvesting pigment-protein complexes from them in the membrane-embedded complexes of purple photosynthetic bacteria Rhodobacter sphaeroides. A wide arsenal of spectroscopic techniques in visible optical range that include conventional broadband absorption-fluorescence, fluorescence anisotropy excitation, spectrally selective hole burning and fluorescence line-narrowing, and transient absorption-fluorescence have been applied over broad temperature range between physiological and liquid He temperatures. Significant changes in energetics and dynamics of the antenna excitons upon self-assembly of the proteins into intracytoplasmic membranes are observed, analyzed, and discussed. This article is part of a Special Issue entitled: Photosynthesis Research for Sustainability: from Natural to Artificial. Copyright © 2011. Published by Elsevier B.V.

Selective spectroscopic imaging of hyperpolarized pyruvate and its metabolites using a single-echo variable phase advance method in balanced SSFP

PubMed Central

Varma, Gopal; Wang, Xiaoen; Vinogradov, Elena; Bhatt, Rupal S.; Sukhatme, Vikas; Seth, Pankaj; Lenkinski, Robert E.; Alsop, David C.; Grant, Aaron K.

2015-01-01

Purpose In balanced steady state free precession (bSSFP), the signal intensity has a well-known dependence on the off-resonance frequency, or, equivalently, the phase advance between successive radiofrequency (RF) pulses. The signal profile can be used to resolve the contributions from the spectrally separated metabolites. This work describes a method based on use of a variable RF phase advance to acquire spatial and spectral data in a time-efficient manner for hyperpolarized 13C MRI. Theory and Methods The technique relies on the frequency response from a bSSFP acquisition to acquire relatively rapid, high-resolution images that may be reconstructed to separate contributions from different metabolites. The ability to produce images from spectrally separated metabolites was demonstrated in-vitro, as well as in-vivo following administration of hyperpolarized 1-13C pyruvate in mice with xenograft tumors. Results In-vivo images of pyruvate, alanine, pyruvate hydrate and lactate were reconstructed from 4 images acquired in 2 seconds with an in-plane resolution of 1.25 × 1.25mm2 and 5mm slice thickness. Conclusions The phase advance method allowed acquisition of spectroscopically selective images with high spatial and temporal resolution. This method provides an alternative approach to hyperpolarized 13C spectroscopic MRI that can be combined with other techniques such as multi-echo or fluctuating equilibrium bSSFP. PMID:26507361

Binding of fluorescent acridine dyes acridine orange and 9-aminoacridine to hemoglobin: Elucidation of their molecular recognition by spectroscopy, calorimetry and molecular modeling techniques.

PubMed

Chatterjee, Sabyasachi; Kumar, Gopinatha Suresh

2016-06-01

The molecular interaction between hemoglobin (HHb), the major human heme protein, and the acridine dyes acridine orange (AO) and 9-aminoacridine (9AA) was studied by various spectroscopic, calorimetric and molecular modeling techniques. The dyes formed stable ground state complex with HHb as revealed from spectroscopic data. Temperature dependent fluorescence data showed the strength of the dye-protein complexation to be inversely proportional to temperature and the fluorescence quenching was static in nature. The binding-induced conformational change in the protein was investigated using circular dichroism, synchronous fluorescence, 3D fluorescence and FTIR spectroscopy results. Circular dichroism data also quantified the α-helicity change in hemoglobin due to the binding of acridine dyes. Calorimetric studies revealed the binding to be endothermic in nature for both AO and 9AA, though the latter had higher affinity, and this was also observed from spectroscopic data. The binding of both dyes was entropy driven. pH dependent fluorescence studies revealed the existence of electrostatic interaction between the protein and dye molecules. Molecular modeling studies specified the binding site and the non-covalent interactions involved in the association. Overall, the results revealed that a small change in the acridine chromophore leads to remarkable alteration in the structural and thermodynamic aspects of binding to HHb. Copyright © 2016 Elsevier B.V. All rights reserved.

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

PubMed

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Confocal Raman spectroscopic analysis of cross-linked ultra-high molecular weight polyethylene for application in artificial hip joints.

PubMed

Pezzotti, Giuseppe; Kumakura, Tsuyoshi; Yamada, Kiyotaka; Tateiwa, Toshiyuki; Puppulin, Leonardo; Zhu, Wenliang; Yamamoto, Kengo

2007-01-01

Confocal spectroscopic techniques are applied to selected Raman bands to study the microscopic features of acetabular cups made of ultra-high molecular weight polyethylene (UHMWPE) before and after implantation in vivo. The micrometric lateral resolution of a laser beam focused on the polymeric surface (or subsurface) enables a highly resolved visualization of 2-D conformational population patterns, including crystalline, amorphous, orthorhombic phase fractions, and oxidation index. An optimized confocal probe configuration, aided by a computational deconvolution of the optical probe, allows minimization of the probe size along the in-depth direction and a nondestructive evaluation of microstructural properties along the material subsurface. Computational deconvolution is also attempted, based on an experimental assessment of the probe response function of the polyethylene Raman spectrum, according to a defocusing technique. A statistical set of high-resolution microstructural data are collected on a fully 3-D level on gamma-ray irradiated UHMWPE acetabular cups both as-received from the maker and after retrieval from a human body. Microstructural properties reveal significant gradients along the immediate material subsurface and distinct differences are found due to the loading history in vivo, which cannot be revealed by conventional optical spectroscopy. The applicability of the confocal spectroscopic technique is valid beyond the particular retrieval cases examined in this study, and can be easily extended to evaluate in-vitro tested components or to quality control of new polyethylene brands. Confocal Raman spectroscopy may also contribute to rationalize the complex effects of gamma-ray irradiation on the surface of medical grade UHMWPE for total joint replacement and, ultimately, to predict their actual lifetime in vivo.

Synthesis and structural characterization of new oxovanadium(IV) complexes derived from azo-5-pyrazolone with prospective medical importance

NASA Astrophysics Data System (ADS)

Bagdatli, Emine; Altuntas, Eylem; Sayin, Ulku

2017-01-01

Four novel o-hydroxy substituted aryl-(msbnd H, sbnd Cl, sbnd Br, sbnd CH3) azo-5-pyrazolone compounds (2a-d, respectively) were synthesized as azo-group containing ligands by diazotization of aryl amines then coupled with 1-(4-chlorophenyl)-3-isopropyl-1H-pyrazol-5(4H)-one (1) and the structures were confirmed by FTIR, UV-Visible, GC-MS or ESI-LCMS and NMR spectroscopic techniques. As a result, the first synthesis of azo-5-pyrazolone based oxovanadium(IV) complexes (3a-d) was achieved by interaction of 2a-d with half equivalent of vanadyl sulphate pentahydrate in a methanolic medium with moderate to high yields (67, 74, 60, 71 for 3a-d, respectively). The resulting complexes were characterized using FTIR, UV-Visible, ESI-LCMS and EPR spectroscopic techniques as well as with thermogravimetric (TG/DTG) analysis. They have the composition [VO(L)2]·H2O; (3a-c) or [VO(L)2]·CH3OH; (3d) where LH is an azo-5-pyrazolone compound as the ligand (2a-d). The electronic spectra of the complexes are typical of oxovanadium(IV) complexes showing a low intensity band near 500 nm. Spectroscopic results have shown that azo-5-pyrazolone compounds have acted bidendate and the coordination sites are hydroxyl-substituent on the -azo phenyl-aromatic ring and the pyrazolone carbonyl-moiety. The thermal data confirm that the complexes have methanol (3a-c) or water (3d) molecule outside the coordination sphere and the complexes show similar thermogravimetric decomposition fragments which are consistent with the proposed structures. A distorted octahedral geometry has been proposed for these complexes mainly with EPR and the other spectral techniques.

Synthesis, crystal structure and investigation of mononuclear copper(II) and zinc(II) complexes of a new carboxylate rich tripodal ligand and their interaction with carbohydrates in alkaline aqueous solution

PubMed Central

Stewart, Christopher D.; Pedraza, Mayra; Arman, Hadi; Fan, Hua-Jun; Schilling, Eduardo Luiz; Szpoganicz, Bruno; Musie, Ghezai T.

2016-01-01

A new carboxylate rich asymmetric tripodal ligand, N-[2-carboxybenzomethyl]-N-[carboxymethyl]-β-alanine (H3camb), and its di-copper(II), (NH4)2[1]2, and di-zinc(II), ((CH3)4 N)2[2]2, complexes have been synthesized as carbohydrate binding models in aqueous solutions. The ligand and complexes have been fully characterized using several techniques, including single crystal X-ray diffraction. The interactions of (NH4)2[1]2 and ((CH3)4 N)2[2]2 with D-glucose, D-mannose, D-xylose and xylitol in aqueous alkaline media were investigated using UV–Vis and 13C-NMR spectroscopic techniques, respectively. The molar conductance, NMR and ESI–MS studies indicate that the complexes dissociate in solution to produce the respective complex anions, 1− and 2−. Complexes 1− and 2− showed chelating ability towards the naturally abundant and biologically relevant sugars, D-glucose, D-mannose, D-xylose, and xylitol. The complex ions bind to one molar equivalent of the sugars, even in the presence of stoichiometric excess of the substrates, in solution. Experimentally obtained spectroscopic data and computational results suggest that the substrates bind to the metal center in a bidentate fashion. Apparent binding constant values, pKapp, between the complexes and the substrates were determined and a specific mode of substrate binding is proposed. The pKapp and relativistic density functional theory (DFT) calculated Gibbs free energy values indicate that D-mannose displayed the strongest interaction with the complexes. Syntheses, characterizations, detailed substrate binding studies using spectroscopic techniques, single crystal X-ray diffraction and geometry optimizations of the complex-substrates with DFT calculations are also reported. PMID:25969174

Fluorescence and Raman Spectroscopy of Doped Nanodiamonds

NASA Astrophysics Data System (ADS)

Kudryavtsev, O. S.; Khomich, A. A.; Sedov, V. S.; Ekimov, E. A.; Vlasov, I. I.

2018-05-01

Raman and fluorescence spectroscopic techniques were used to study doped nanodiamonds synthesized at high pressure and high temperature (HPHT technique) and by chemical vapor deposition from the gas phase (CVD technique). For the CVD diamonds, a hundred-fold increase in fluorescence intensity of the silicon-vacancy centers normalized to the volume of the probe material was observed with an increase in synthesized diamond particle diameter from 150 to 300 nm. Graphitization temperature upon heating in the air significantly lower than for detonation nanodiamonds was found for the boron-doped HPHT nanodiamonds.

Energy-based dosimetry of low-energy, photon-emitting brachytherapy sources

NASA Astrophysics Data System (ADS)

Malin, Martha J.

Model-based dose calculation algorithms (MBDCAs) for low-energy, photon-emitting brachytherapy sources have advanced to the point where the algorithms may be used in clinical practice. Before these algorithms can be used, a methodology must be established to verify the accuracy of the source models used by the algorithms. Additionally, the source strength metric for these algorithms must be established. This work explored the feasibility of verifying the source models used by MBDCAs by measuring the differential photon fluence emitted from the encapsulation of the source. The measured fluence could be compared to that modeled by the algorithm to validate the source model. This work examined how the differential photon fluence varied with position and angle of emission from the source, and the resolution that these measurements would require for dose computations to be accurate to within 1.5%. Both the spatial and angular resolution requirements were determined. The techniques used to determine the resolution required for measurements of the differential photon fluence were applied to determine why dose-rate constants determined using a spectroscopic technique disagreed with those computed using Monte Carlo techniques. The discrepancy between the two techniques had been previously published, but the cause of the discrepancy was not known. This work determined the impact that some of the assumptions used by the spectroscopic technique had on the accuracy of the calculation. The assumption of isotropic emission was found to cause the largest discrepancy in the spectroscopic dose-rate constant. Finally, this work improved the instrumentation used to measure the rate at which energy leaves the encapsulation of a brachytherapy source. This quantity is called emitted power (EP), and is presented as a possible source strength metric for MBDCAs. A calorimeter that measured EP was designed and built. The theoretical framework that the calorimeter relied upon to measure EP was established. Four clinically relevant 125I brachytherapy sources were measured with the instrument. The accuracy of the measured EP was compared to an air-kerma strength-derived EP to test the accuracy of the instrument. The instrument was accurate to within 10%, with three out of the four source measurements accurate to within 4%.

Transient Fluorescence Spectroscopy and laser induced fluorescence lifetimes of terbium doped dipicolinic acid

NASA Astrophysics Data System (ADS)

Makoui, Anali

We have investigated the use of deep UV laser induced fluorescence for the sensitive detection and spectroscopic lifetime studies of terbium doped dipicolinic acid (DPA-Tb) and used this to study the optical characteristics of DPA which is a chemical surrounding most bacterial spores. Background absorption spectra, fluorescence spectra, and Excitation Emission Matrix (EEM) spectra were made of the DPA-Tb complex, using both fixed 266 nm wavelength and tunable (220 nm--280 nm) UV laser excitations. Of importance, the fluorescence lifetimes of the four main fluorescence peaks (488 nm, 543 nm, 581 nm, and 618 nm) of the DPA-Tb complex have been measured for the first time to our knowledge. The lifetimes of all the fluorescing lines have been measured as a function of DPA-Tb concentration, solvent pH, and solvent composition, including that for the weakest fluorescing line of DPA-Tb at 618 nm. In addition, a new spectroscopic lifetime measurement technique, which we call "Transient Fluorescence Spectroscopy", was developed. In this technique, a weak, quasi-CW, amplitude modulated UV laser (8.5 kHz) was used to measure the lifetimes of the fluorescence lines, and yields insight into energy transfer and excitation lifetimes within the system. This technique is especially useful when a high power laser is not either available or not suitable. In the latter case, this would be when a high power pulsed deep-UV laser could produce bleaching or destruction of the biological specimen. In addition, this technique simulated the excitation and fluorescence emission of the DPA-Tb using a 4-level energy model, and solved the dynamic transient rate equations to predict the temporal behavior of the DPA-Tb emitted fluorescence. Excellent agreement between the experiments and the simulation were found. This technique has the potential to provide a more accurate value for the fluorescence lifetime values. In addition, with the use of asymmetric excitation waveforms, the dynamic transient rate equation analysis may allow for detailed studies of selected transfer mechanisms in a wide range of other spectroscopic applications including rare-earth solid-state lasing materials and biological samples.

Complementary use of flow and sedimentation field-flow fractionation techniques for size characterizing biodegradable poly(lactic acid) nanospheres

PubMed Central

Contado, Catia; Dalpiaz, Alessandro; Leo, Eliana; Zborowski, Maciej; Williams, P. Stephen

2009-01-01

Poly(lactic acid) nanoparticles were synthesized using a modified evaporation method, testing two different surfactants (sodium cholate and Pluronic F68) for the process. During their formulation the prodrug 5′-octanoyl-CPA (Oct-CPA) of the antiischemic N6-cyclopentyladenosine (CPA) was encapsulated. Three different purification methods were compared with respect to the influence of surfactant on the size characteristics of the final nanoparticle product. Flow and sedimentation field-flow fractionation techniques (FlFFF and SdFFF, respectively) were used to size characterize the five poly(lactic acid) particle samples. Two different combinations of carrier solution (mobile phase) were employed in the FlFFF analyses, while a solution of poly(vinyl alcohol) was used as mobile phase for the SdFFF runs. The separation performances of the two techniques were compared and the particle size distributions, derived from the fractograms, were interpreted with the support of observations by scanning electron microscopy. Some critical aspects, such as the carrier choice and the channel thickness determination for the FlFFF, have been investigated. This is the first comprehensive comparison of the two FFF techniques for characterizing non standard particulate materials. The two FFF techniques proved to be complementary and gave good, congruent and very useful information on the size distributions of the five poly(lactic acid) particle samples. PMID:17482199

Theoretical Calculations of Atomic Data for Spectroscopy

NASA Technical Reports Server (NTRS)

Bautista, Manuel A.

2000-01-01

Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

Shedding light on food fraud: spectrophotometric and spectroscopic methods as a tool against economically motivated adulteration of food

NASA Astrophysics Data System (ADS)

Petronijević, R. B.; Velebit, B.; Baltić, T.

2017-09-01

Intentional modification of food or substitution of food ingredients with the aim of gaining profit is food fraud or economically motivated adulteration (EMA). EMA appeared in the food supply chain, and following the global expansion of the food market, has become a world-scale problem for the global economy. Food frauds have involved oils, milk and meat products, infant formula, honey, juices, spices, etc. New legislation was enacted in the last decade in order to fight EMA. Effective analytical methods for food fraud detection are few and still in development. The majority of the methods in common use today for EMA detection are time consuming and inappropriate for use on the production line or out of the laboratory. The next step in the evolution of analytical techniques to combat food fraud is development of fast, accurate methods applicable using portable or handheld devices. Spectrophotometric and spectroscopic methods combined with chemometric analysis, and perhaps in combination with other rapid physico-chemical techniques, could be the answer. This review discusses some analytical techniques based on spectrophotometry and spectroscopy, which are used to reveal food fraud and EMA.

Quantitative analysis of binary polymorphs mixtures of fusidic acid by diffuse reflectance FTIR spectroscopy, diffuse reflectance FT-NIR spectroscopy, Raman spectroscopy and multivariate calibration.

PubMed

Guo, Canyong; Luo, Xuefang; Zhou, Xiaohua; Shi, Beijia; Wang, Juanjuan; Zhao, Jinqi; Zhang, Xiaoxia

2017-06-05

Vibrational spectroscopic techniques such as infrared, near-infrared and Raman spectroscopy have become popular in detecting and quantifying polymorphism of pharmaceutics since they are fast and non-destructive. This study assessed the ability of three vibrational spectroscopy combined with multivariate analysis to quantify a low-content undesired polymorph within a binary polymorphic mixture. Partial least squares (PLS) regression and support vector machine (SVM) regression were employed to build quantitative models. Fusidic acid, a steroidal antibiotic, was used as the model compound. It was found that PLS regression performed slightly better than SVM regression in all the three spectroscopic techniques. Root mean square errors of prediction (RMSEP) were ranging from 0.48% to 1.17% for diffuse reflectance FTIR spectroscopy and 1.60-1.93% for diffuse reflectance FT-NIR spectroscopy and 1.62-2.31% for Raman spectroscopy. The results indicate that diffuse reflectance FTIR spectroscopy offers significant advantages in providing accurate measurement of polymorphic content in the fusidic acid binary mixtures, while Raman spectroscopy is the least accurate technique for quantitative analysis of polymorphs. Copyright © 2017 Elsevier B.V. All rights reserved.

Studies on the interaction of apigenin with calf thymus DNA by spectroscopic methods

NASA Astrophysics Data System (ADS)

Zhang, Shufang; Sun, Xuejun; Kong, Rongmei; Xu, Mingming

2015-02-01

The interaction between apigenin and calf thymus deoxyribonucleic acid (ctDNA) in a pH 7.4 Tris-HCl buffer solution was investigated by UV-Vis spectroscopy, fluorescence spectroscopy, DNA melting techniques, and viscosity measurements. It was found that apigenin molecules could intercalate into the base pairs of DNA, forming a apigenin-DNA complex with a binding constant of K310K = 6.4 × 104 L mol-1. The thermodynamic parameters enthalpy change (ΔH), entropy change (ΔS) and Gibbs free energy (ΔG) were calculated to be 7.36 × 104 J mol-1, 329 J K-1 mol-1 and -2.84 × 104 J mol-1 at 310 K, respectively. Hydrophobic interaction was the predominant intermolecular force in stabilizing the apigenin-DNA complex. Thermal denaturation study suggested that the stabilization of the ctDNA helix was increased when the apigenin binding to ctDNA as indicated by the increase in thermal denaturation temperature of ctDNA at around 5.0 °C in the presence of apigenin. Spectroscopic techniques together with melting techniques and viscosity determination provided evidences of intercalation mode of binding for the interaction between apigenin and ctDNA.

High-pressure studies on nanocrystalline borderline Co1-xFexS2 (x = 0.4 and 0.5) using Mössbauer spectroscopic and electrical resistivity techniques up to 8 GPa

NASA Astrophysics Data System (ADS)

Chandra, Usha; Sharma, Pooja; Parthasarathy, G.

2016-12-01

Like bulk, Co1-xFexS2 nanoparticles also display an anomaly at x = 0.5. The borderline contiguous Co1-xFexS2 (x = 0.4 and 0.5) nanoparticles were synthesized with colloidal method and characterized for pyrite structure using various techniques, viz., X-ray diffraction, energy dispersive X-ray analysis (EDAX), S K-edge X-ray absorption near edge spectra, transmission electron microscopy (TEM) and Fourier transformed infra-red spectroscopy. The report presents the effect of high pressure on the borderline compositions using the Mössbauer spectroscopic and electrical resistivity techniques. Magnetic measurements on the system showed drastic lowering of Tc due to nanosize of the particles. With increased pressure, quadrupole splitting showed an expected trend of increase to attain a peak representing a second-order phase transition between 4 and 5 GPa for both the compositions. The pressure coefficient of electrical resistivity varied from -0.02 GPa to -0.06 GPa across transition pressure indicating a sluggish nature of transition. This is the first report of pressure effect on nanosized borderline compositions.

Tumor margin detection using optical biopsy techniques

NASA Astrophysics Data System (ADS)

Zhou, Yan; Liu, Cheng-hui; Li, Jiyou; Li, Zhongwu; Zhou, Lixin; Chen, Ke; Pu, Yang; He, Yong; Zhu, Ke; Li, Qingbo; Alfano, Robert R.

2014-03-01

The aim of this study is to use the Resonance Raman (RR) and fluorescence spectroscopic technique for tumor margin detection with high accuracy based on native molecular fingerprints of breast and gastrointestinal (GI) tissues. This tumor margins detection method utilizes advantages of RR spectroscopic technique in situ and in real-time to diagnose tumor changes providing powerful tools for clinical guiding intraoperative margin assessments and postoperative treatments. The tumor margin detection procedures by RR spectroscopy were taken by scanning lesion from center or around tumor region in ex-vivo to find the changes in cancerous tissues with the rim of normal tissues using the native molecular fingerprints. The specimens used to analyze tumor margins include breast and GI carcinoma and normal tissues. The sharp margin of the tumor was found by the changes of RR spectral peaks within 2 mm distance. The result was verified using fluorescence spectra with 300 nm, 320 nm and 340 nm excitation, in a typical specimen of gastric cancerous tissue within a positive margin in comparison with normal gastric tissues. This study demonstrates the potential of RR and fluorescence spectroscopy as new approaches with labeling free to determine the intraoperative margin assessment.

Molecular oxygen detection using frequency modulation diode laser spectroscopy

NASA Technical Reports Server (NTRS)

Wang, Liang-Guo; Sachse, Glen

1990-01-01

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

Cosmology with the cosmic web

NASA Astrophysics Data System (ADS)

Forero-Romero, J. E.

2017-07-01

This talk summarizes different algorithms that can be used to trace the cosmic web both in simulations and observations. We present different applications in galaxy formation and cosmology. To finalize, we show how the Dark Energy Spectroscopic Instrument (DESI) could be a good place to apply these techniques.

Midwives' support for Complementary and Alternative Medicine: a literature review.

PubMed

Hall, Helen G; McKenna, Lisa G; Griffiths, Debra L

2012-03-01

There is evidence that the use of Complementary and Alternative Medicine by childbearing women is becoming increasingly popular in industrialised countries. The aim of this is paper is to review the research literature investigating the midwives' support for the use of these therapies. A search for relevant research published from 2000 to 2009 was undertaken using a range of databases and by examining relevant bibliographies. A total of thirteen studies were selected for inclusion in this review. The findings indicate that the use of Complementary and Alternative Medicine is widespread in midwifery practice. Common indications for use include; labour induction and augmentation, nausea and vomiting, relaxation, back pain, anaemia, mal-presentation, perineal discomfort, postnatal depression and lactation problems. The most popular therapies recommended by midwives are massage therapy, herbal medicines, relaxation techniques, nutritional supplements, aromatherapy, homeopathy and acupuncture. Midwives support the use Complementary and Alternative Medicine because they believe it is philosophically congruent; it provides safe alternatives to medical interventions; it supports the woman's autonomy, and; incorporating Complementary and Alternative Medicine can enhance their own professional autonomy. There is considerable support by midwives for the use of Complementary and Alternative Medicine by expectant women. Despite this enthusiasm, currently there are few educational opportunities and only limited research evidence regarding CAM use in midwifery practice. These shortfalls need to be addressed by the profession. Midwives are encouraged to have an open dialogue with childbearing women, to document use and to base any advice on the best available evidence. Copyright © 2010 Australian College of Midwives. Published by Elsevier Ltd. All rights reserved.

Reinforced self-assembly of donor-acceptor π-conjugated molecules to DNA templates by dipole-dipole interactions together with complementary hydrogen bonding interactions for biomimetics.

PubMed

Yang, Wanggui; Chen, Yali; Wong, Man Shing; Lo, Pik Kwan

2012-10-08

One of the most important criteria for the successful DNA-templated polymerization to generate fully synthetic biomimetic polymers is to design the complementary structural monomers, which assemble to the templates strongly and precisely before carrying polymerization. In this study, water-soluble, laterally thymine-substituted donor-acceptor π-conjugated molecules were designed and synthesized to self-assemble with complementary oligoadenines templates, dA(20) and dA(40), into stable and tubular assemblies through noncovalent interactions including π-π stacking, dipole-dipole interactions, and the complementary adenine-thymine (A-T) hydrogen-bonding. UV-vis, fluorescence, circular dichroism (CD), atomic force microscopy (AFM), and transmission electron microscopy (TEM) techniques were used to investigate the formation of highly robust nanofibrous structures. Our results have demonstrated for the first time that the dipole-dipole interactions are stronger and useful to reinforce the assembly of donor-acceptor π-conjugated molecules to DNA templates and the formation of the stable and robust supramolecular nanofibrous complexes together with the complementary hydrogen bonding interactions. This provides an initial step toward DNA-templated polymerization to create fully synthetic DNA-mimetic polymers for biotechnological applications. This study also presents an opportunity to precisely position donor-acceptor type molecules in a controlled manner and tailor-make advanced materials for various biotechnological applications.

Spectroscopic planetary detection

NASA Technical Reports Server (NTRS)

Deming, D.; Espenak, F.; Hillman, J. J.; Kostiuk, T.; Mumma, M. J.; Jennings, D. E.

1986-01-01

The Sun-as-a-star was monitored using the McMath Fourier transform spectometer (FTS) on Kitt Peak in 1983. In 1985 the first measurement was made using the laser heterodyne technique. The FTS measurements now extend for three years, with errors of order 3 meters/sec at a given epoch. Over this 3 year period, a 33 meter/sec change was measured in the apparent velocity of integrated sunlight. The sense of the effect is that a greater blueshift is seen near solar minimum, which is consistent with expectations based on considering the changing morphology of solar granular convection. Presuming this effect is solar-cycle-related, it will mimic the Doppler reflex produced by a planetary companion of approximately two Jupiter masses, with an 11 year orbital period. Thus, Jupiter itself is below the threshold for detection by spectroscopic means, without an additional technique for discrimination. However, for planetary companions in shorter period orbits (P approx. 3 years) the threshold for unambiguous detection is well below one Jupiter mass.

A Novel Schiff Base of 3-acetyl-4-hydroxy-6-methyl-(2H)pyran-2-one and 2,2'-(ethylenedioxy)diethylamine as Potential Corrosion Inhibitor for Mild Steel in Acidic Medium

PubMed Central

Asegbeloyin, Jonnie N.; Ejikeme, Paul M.; Olasunkanmi, Lukman O.; Adekunle, Abolanle S.; Ebenso, Eno E.

2015-01-01

The corrosion inhibition activity of a newly synthesized Schiff base (SB) from 3-acetyl-4-hydroxy-6-methyl-(2H)-pyran-2-one and 2,2'-(ethylenedioxy)diethylamine was investigated on the corrosion of mild steel in 1 M HCl solution using potentiodynamic polarization and electrochemical impedance spectroscopic techniques. Ultraviolet-visible (UV-vis) and Raman spectroscopic techniques were used to study the chemical interactions between SB and mild steel surface. SB was found to be a relatively good inhibitor of mild steel corrosion in 1 M HCl. The inhibition efficiency increases with increase in concentration of SB. The inhibition activity of SB was ascribed to its adsorption onto mild steel surface, through physisorption and chemisorption, and described by the Langmuir adsorption model. Quantum chemical calculations indicated the presence of atomic sites with potential nucleophilic and electrophilic characteristics with which SB can establish electronic interactions with the charged mild steel surface.

Advancements in IR spectroscopic approaches for the determination of fungal derived contaminations in food crops.

PubMed

McMullin, David; Mizaikoff, Boris; Krska, Rudolf

2015-01-01

Infrared spectroscopy is a rapid, nondestructive analytical technique that can be applied to the authentication and characterization of food samples in high throughput. In particular, near infrared spectroscopy is commonly utilized in the food quality control industry to monitor the physical attributes of numerous cereal grains for protein, carbohydrate, and lipid content. IR-based methods require little sample preparation, labor, or technical competence if multivariate data mining techniques are implemented; however, they do require extensive calibration. Economically important crops are infected by fungi that can severely reduce crop yields and quality and, in addition, produce mycotoxins. Owing to the health risks associated with mycotoxins in the food chain, regulatory limits have been set by both national and international institutions for specific mycotoxins and mycotoxin classes. This article discusses the progress and potential of IR-based methods as an alternative to existing chemical methods for the determination of fungal contamination in crops, as well as emerging spectroscopic methods.

Near-infrared imaging spectroscopy for counterfeit drug detection

NASA Astrophysics Data System (ADS)

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

2011-06-01

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

Dual-comb spectroscopy of laser-induced plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergevin, Jenna; Wu, Tsung-Han; Yeak, Jeremy

Dual-comb spectroscopy has become a powerful spectroscopic technique in applications that rely on its broad spectral coverage combined with high frequency resolution capabilities. Experiments to date have primarily focused on detection and analysis of multiple gas species under semi-static conditions, with applications ranging from environmental monitoring of greenhouse gases to high resolution molecular spectroscopy. Here, we utilize dual-comb spectroscopy to demonstrate broadband, high-resolution, and time-resolved measurements in a laser induced plasma for the first time. As a first demonstration, we simultaneously detect trace amounts of Rb and K in solid samples with a single laser ablation shot, with transitions separatedmore » by over 6 THz (13 nm) and spectral resolution sufficient to resolve isotopic and ground state hyperfine splittings of the Rb D2 line. This new spectroscopic approach offers the broad spectral coverage found in the powerful techniques of laser-induced breakdown spectroscopy (LIBS) while providing the high-resolution and accuracy of cw laser-based spectroscopies.« less

Admittance spectroscopy or deep level transient spectroscopy: A contrasting juxtaposition

NASA Astrophysics Data System (ADS)

Bollmann, Joachim; Venter, Andre

2018-04-01

A comprehensive understanding of defects in semiconductors remains of primary importance. In this paper the effectiveness of two of the most commonly used semiconductor defect spectroscopy techniques, viz. deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) are reviewed. The analysis of defects present in commercially available SiC diodes shows that admittance spectroscopy allows the identification of deep traps with reduced measurement effort compared to deep Level Transient Spectroscopy (DLTS). Besides the N-donor, well-studied intrinsic defects were detected in these diodes. Determination of their activation energy and defect density, using the two techniques, confirm that the sensitivity of AS is comparable to that of DLTS while, due to its well defined peak shape, the spectroscopic resolution is superior. Additionally, admittance spectroscopy can analyze faster emission processes which make the study of shallow defects more practical and even that of shallow dopant levels, possible. A comparative summary for the relevant spectroscopic features of the two capacitance methods are presented.

Optical Waveguide Lightmode Spectroscopic Techniques for Investigating Membrane-Bound Ion Channel Activities

PubMed Central

Székács, Inna; Kaszás, Nóra; Gróf, Pál; Erdélyi, Katalin; Szendrő, István; Mihalik, Balázs; Pataki, Ágnes; Antoni, Ferenc A.; Madarász, Emilia

2013-01-01

Optical waveguide lightmode spectroscopic (OWLS) techniques were probed for monitoring ion permeation through channels incorporated into artificial lipid environment. A novel sensor set-up was developed by depositing liposomes or cell-derived membrane fragments onto hydrophilic polytetrafluoroethylene (PTFE) membrane. The fibrous material of PTFE membrane could entrap lipoid vesicles and the water-filled pores provided environment for the hydrophilic domains of lipid-embedded proteins. The sensor surface was kept clean from the lipid holder PTFE membrane by a water- and ion-permeable polyethylene terephthalate (PET) mesh. The sensor set-up was tested with egg yolk lecithin liposomes containing gramicidin ion channels and with cell-derived membrane fragments enriched in GABA-gated anion channels. The method allowed monitoring the move of Na+ and organic cations through gramicidin channels and detecting the Cl–-channel functions of the (α5β2γ2) GABAA receptor in the presence or absence of GABA and the competitive GABA-blocker bicuculline. PMID:24339925

Fiber-ring laser-based intracavity photoacoustic spectroscopy for trace gas sensing.

PubMed

Wang, Qiang; Wang, Zhen; Chang, Jun; Ren, Wei

2017-06-01

We demonstrated a novel trace gas sensing method based on fiber-ring laser intracavity photoacoustic spectroscopy. This spectroscopic technique is a merging of photoacoustic spectroscopy (PAS) with a fiber-ring cavity for sensitive and all-fiber gas detection. A transmission-type PAS gas cell (resonant frequency f₀=2.68  kHz) was placed inside the fiber-ring laser to fully utilize the intracavity laser power. The PAS signal was excited by modulating the laser wavelength at f₀/2 using a custom-made fiber Bragg grating-based modulator. We used this spectroscopic technique to detect acetylene (C₂H₂) at 1531.6 nm as a proof of principle. With a low Q-factor (4.9) of the PAS cell, our sensor achieved a good linear response (R²=0.996) to C₂H₂ concentration and a minimum detection limit of 390 ppbv at 2-s response time.

Antimicrobial steroidal saponin and oleanane-type triterpenoid saponins from Paullinia pinnata.

PubMed

Lunga, Paul K; Qin, Xu-Jie; Yang, Xing W; Kuiate, Jules-Roger; Du, Zhi Z; Gatsing, Donatien

2014-10-02

Paullinia pinnata L. (Sapindaceae) is an African woody vine, which is widely used in traditional medicine for the treatment of human malaria, erectile dysfunction and bacterial infections. A phytochemical investigation of its methanol leaf and stem extracts led to the isolation of seven compounds which were evaluated for their antimicrobial properties. The extracts were fractionated and compounds were isolated by chromatographic methods. Their structures were elucidated from their spectroscopic data in conjunction with those reported in literature. The antimicrobial activities of the crude extracts, fractions and compounds were evaluated against bacteria, yeasts and dermatophytes using the broth micro-dilution technique. Seven compounds: 2-O-methyl-L-chiro-inositol (1), β-sitosterol (2), friedelin (3), 3β-(β-D-Glucopyranosyloxy) stigmast-5-ene (4), (3β)-3-O-(2'-Acetamido-2'-deoxy-β-D-glucopyranosyl) oleanolic acid (5), (3β,16α-hydroxy)-3-O-(2'-Acetamido-2'-deoxy-β-D-glucopyranosyl) echinocystic acid (6) and (3β)-3-O-[β-D-glucopyranosyl-(1″-3')-2'-acetamido-2'-deoxy-β-D-galactopyranosyl]oleanolic acid (7) were isolated. Compounds 5 and 7 showed the best antibacterial and anti-yeast activities respectively (MIC value range of 0.78-6.25 and 1.56-6.25 μg/ml), while 6 exhibited the best anti-dermatophytic activity (MIC value range of 6.25-25 μg/ml). The results of the present findings could be considered interesting, taking into account the global disease burden of these susceptible microorganisms, in conjunction with the search for alternative and complementary medicines.

Nanoparticle layer deposition for highly controlled multilayer formation based on high- coverage monolayers of nanoparticles

PubMed Central

Liu, Yue; Williams, Mackenzie G.; Miller, Timothy J.; Teplyakov, Andrew V.

2015-01-01

This paper establishes a strategy for chemical deposition of functionalized nanoparticles onto solid substrates in a layer-by-layer process based on self-limiting surface chemical reactions leading to complete monolayer formation within the multilayer system without any additional intermediate layers – nanoparticle layer deposition (NPLD). This approach is fundamentally different from previously established traditional layer-by-layer deposition techniques and is conceptually more similar to well-known atomic and molecular – layer deposition processes. The NPLD approach uses efficient chemical functionalization of the solid substrate material and complementary functionalization of nanoparticles to produce a nearly 100% coverage of these nanoparticles with the use of “click chemistry”. Following this initial deposition, a second complete monolayer of nanoparticles is deposited using a copper-catalyzed “click reaction” with the azide-terminated silica nanoparticles of a different size. This layer-by-layer growth is demonstrated to produce stable covalently-bound multilayers of nearly perfect structure over macroscopic solid substrates. The formation of stable covalent bonds is confirmed spectroscopically and the stability of the multilayers produced is tested by sonication in a variety of common solvents. The 1-, 2- and 3-layer structures are interrogated by electron microscopy and atomic force microscopy and the thickness of the multilayers formed is fully consistent with that expected for highly efficient monolayer formation with each cycle of growth. This approach can be extended to include a variety of materials deposited in a predesigned sequence on different substrates with a highly conformal filling. PMID:26726273

Design, syntheses, characterization, and cytotoxicity studies of novel heterobinuclear oxindolimine copper(II)-platinum(II) complexes.

PubMed

Aranda, Esther Escribano; Matias, Tiago Araújo; Araki, Koiti; Vieira, Adriana Pires; de Mattos, Elaine Andrade; Colepicolo, Pio; Luz, Carolina Portela; Marques, Fábio Luiz Navarro; da Costa Ferreira, Ana Maria

2016-12-01

Herein, the design and syntheses of two new mononuclear oxindolimine-copper(II) (1 and 2) and corresponding heterobinuclear oxindolimine Cu(II)Pt(II) complexes (3 and 4), are described. All the isolated complexes were characterized by spectroscopic techniques (UV/Vis, IR, EPR), in addition to elemental analysis and mass spectrometry. Cyclic voltammetry (CV) measurements showed that in all cases, one-electron quasi-reversible waves were observed, and ascribed to the formation of corresponding copper(I) complexes. Additionally, waves related to oxindolimine ligand reduction was verified, and confirmed using analogous oxindolimine-Zn(II) complexes. The Pt(IV/II) reduction, and corresponding oxidation, for complexes 3 and 4 occurred at very close values to those observed for cisplatin. By complementary fluorescence studies, it was shown that glutathione (GSH) cannot reduce any of these complexes, under the experimental conditions (room temperature, phosphate buffer 50mM, pH7.4), using an excess of 20-fold [GSH]. All these complexes showed characteristic EPR spectral profile, with parameters values g ǁ >g ⊥ suggesting an axially distorted environment around the copper(II) center. Interactions with calf thymus-DNA, monitored by circular dichroism (CD), indicated different effects modulated by the ligands. Finally, the cytotoxicity of each complex was tested toward different tumor cells, in comparison to cisplatin, and low values of IC 50 in the range 0.6 to 4.0μM were obtained, after 24 or 48h incubation at 37°C. The obtained results indicate that such complexes can be promising alternative antitumor agents. Copyright © 2016 Elsevier Inc. All rights reserved.

Imaging HIV-1 Tat Trafficking and Interactions by Engineered Green-Fluorescent-Protein Tagging

NASA Astrophysics Data System (ADS)

Beltram, Fabio

2002-03-01

The direct monitoring of protein function in live cells under physiologically relevant conditions is one of the most powerful and innovative methodologies for proteomics. Efficient florescent probes fully compatible with human-cell expression are the fundamental tools for these studies and their optimization opens the way to resolution at the single-protein level. Biological events involving protein pairs are also directly accessible thanks to tuning of protein-tag spectral properties and production of complementary pairs. Such pairs are characterized by overlapping absorption (for the acceptor tag) and emission (for the donor tag) spectra. By tagging the proteins of interest with acceptor and donor molecules, protein interaction can be directly visualized by FRET, fluorescent resonant energy transfer. In this talk we shall present the design by molecular dynamics calculations and the application of optimized green fluorescent proteins to the study of the human immunodeficiency virus HIV-1 proteomics. In particular trafficking and cellular interactions of HIV-1 transactivator protein Tat in live human cells will be presented. Tat localization and complex internalization pathways of exogenous molecules will be presented thanks to the peculiar optical properties of mutated GFPs. Cellular protein partners and subcellular interaction sites will be identified and directly visualized. The relevance of such results and of advanced spectroscopic and imaging techniques for a new level of understanding of biological processes and its significance for advancement in molecular biology will be underlined. A. Marcello et al., J. Biol. Chem. 276, 39220 (2001). R. Cinelli et al., Appl. Phys. Lett. 79, 3353 (2001).

Systematics of electronic and magnetic properties in the transition metal doped Sb2Te3 quantum anomalous Hall platform

NASA Astrophysics Data System (ADS)

Islam, M. F.; Canali, C. M.; Pertsova, A.; Balatsky, A.; Mahatha, S. K.; Carbone, C.; Barla, A.; Kokh, K. A.; Tereshchenko, O. E.; Jiménez, E.; Brookes, N. B.; Gargiani, P.; Valvidares, M.; Schatz, S.; Peixoto, T. R. F.; Bentmann, H.; Reinert, F.; Jung, J.; Bathon, T.; Fauth, K.; Bode, M.; Sessi, P.

2018-04-01

The quantum anomalous Hall effect (QAHE) has recently been reported to emerge in magnetically doped topological insulators. Although its general phenomenology is well established, the microscopic origin is far from being properly understood and controlled. Here, we report on a detailed and systematic investigation of transition metal (TM) doped Sb2Te3 . By combining density functional theory calculations with complementary experimental techniques, i.e., scanning tunneling microscopy, resonant photoemission, and x-ray magnetic circular dichroism, we provide a complete spectroscopic characterization of both electronic and magnetic properties. Our results reveal that the TM dopants not only affect the magnetic state of the host material, but also significantly alter the electronic structure by generating impurity-derived energy bands. Our findings demonstrate the existence of a delicate interplay between electronic and magnetic properties in TM doped topological insulators. In particular, we find that the fate of the topological surface states critically depends on the specific character of the TM impurity: while V- and Fe-doped Sb2Te3 display resonant impurity states in the vicinity of the Dirac point, Cr and Mn impurities leave the energy gap unaffected. The single-ion magnetic anisotropy energy and easy axis, which control the magnetic gap opening and its stability, are also found to be strongly TM impurity dependent and can vary from in plane to out of plane depending on the impurity and its distance from the surface. Overall, our results provide general guidelines for the realization of a robust QAHE in TM doped Sb2Te3 in the ferromagnetic state.

Spectroscopic Study of the Interaction between Horse Heart Myoglobin and Zirconium(IV)-Substituted Polyoxometalates as Artificial Proteases.

PubMed

Ly, Hong Giang T; Parac-Vogt, Tatjana N

2017-09-20

A recent study [Angew. Chem. Int. Ed. 2015, 54, 7391-7394] has shown that horse heart myoglobin (HHM) is selectively hydrolyzed by a range of zirconium(IV)-substituted polyoxometalates (POMs) under mild conditions. In this study, the molecular interactions between the Zr-POM catalysts and HHM are investigated by using a range of complementary techniques, including circular dichroism (CD), UV/Vis spectroscopy, tryptophan fluorescence spectroscopy, and 1 H and 31 P NMR spectroscopy. A tryptophan fluorescence quenching study reveals that, among all examined Zr-POMs, the most reactive POM, 2:2 Zr IV -Keggin, exhibits the strongest interaction with HHM. 31 P NMR spectroscopy studies show that this POM dissociates in solution, resulting in the formation of a monomeric 1:1 Zr IV -Keggin structure, which is likely to be a catalytically active species. In the presence of Zr IV -POMs, HHM does not undergo complete denaturation, as evidenced by CD, UV/Vis, tryptophan fluorescence, and 1 H NMR spectroscopy. CD spectroscopy shows a gradual decrease in the α-helical content of HHM upon addition of Zr IV -POMs. The largest effect is observed in the presence of a large Zr IV -Wells-Dawson structure, whereas small Zr IV -Lindqvist POM has the least influence on the decrease in the α-helical content of HHM. In all cases, the Soret band at λ=409 nm is maintained in the presence of all examined Zr-POMs, which indicates that no conformational changes in the protein occur near the heme group. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Strain-free bulk-like GaN grown by hydride-vapor-phase-epitaxy on two-step epitaxial lateral overgrown GaN template

NASA Astrophysics Data System (ADS)

Gogova, D.; Kasic, A.; Larsson, H.; Hemmingsson, C.; Monemar, B.; Tuomisto, F.; Saarinen, K.; Dobos, L.; Pécz, B.; Gibart, P.; Beaumont, B.

2004-07-01

Crack-free bulk-like GaN with high crystalline quality has been obtained by hydride-vapor-phase-epitaxy (HVPE) growth on a two-step epitaxial lateral overgrown GaN template on sapphire. During the cooling down stage, the as-grown 270-μm-thick GaN layer was self-separated from the sapphire substrate. Plan-view transmission electron microscopy images show the dislocation density of the free-standing HVPE-GaN to be ˜2.5×107 cm-2 on the Ga-polar face. A low Ga vacancy related defect concentration of about 8×1015 cm-3 is extracted from positron annihilation spectroscopy data. The residual stress and the crystalline quality of the material are studied by two complementary techniques. Low-temperature photoluminescence spectra show the main neutral donor bound exciton line to be composed of a doublet structure at 3.4715 (3.4712) eV and 3.4721 (3.4718) eV for the Ga- (N-) polar face with the higher-energy component dominating. These line positions suggest virtually strain-free material on both surfaces with high crystalline quality as indicated by the small full width at half maximum values of the donor bound exciton lines. The E1(TO) phonon mode position measured at 558.52 cm-1 (Ga face) by infrared spectroscopic ellipsometry confirms the small residual stress in the material, which is hence well suited to act as a lattice-constant and thermal-expansion-coefficient matched substrate for further homoepitaxy, as needed for high-quality III-nitride device applications.

Magnetically aligned phospholipid bilayers in weak magnetic fields: optimization, mechanism, and advantages for X-band EPR studies.

PubMed

Cardon, Thomas B; Tiburu, Elvis K; Lorigan, Gary A

2003-03-01

Our lab is developing a spin-labeled EPR spectroscopic technique complementary to solid-state NMR studies to study the structure, orientation, and dynamics of uniaxially aligned integral membrane proteins inserted into magnetically aligned discotic phospholipid bilayers, or bicelles. The focus of this study is to optimize and understand the mechanisms involved in the magnetic alignment process of bicelle disks in weak magnetic fields. Developing experimental conditions for optimized magnetic alignment of bicelles in low magnetic fields may prove useful to study the dynamics of membrane proteins and its interactions with lipids, drugs, steroids, signaling events, other proteins, etc. In weak magnetic fields, the magnetic alignment of Tm(3+)-doped bicelle disks was thermodynamically and kinetically very sensitive to experimental conditions. Tm(3+)-doped bicelles were magnetically aligned using the following optimized procedure: the temperature was slowly raised at a rate of 1.9K/min from an initial temperature being between 298 and 307K to a final temperature of 318K in the presence of a static magnetic field of 6300G. The spin probe 3beta-doxyl-5alpha-cholestane (cholestane) was inserted into the bicelle disks and utilized to monitor bicelle alignment by analyzing the anisotropic hyperfine splitting for the corresponding EPR spectra. The phases of the bicelles were determined using solid-state 2H NMR spectroscopy and compared with the corresponding EPR spectra. Macroscopic alignment commenced in the liquid crystalline nematic phase (307K), continued to increase upon slowly raising the temperature, and was well-aligned in the liquid crystalline lamellar smectic phase (318K).

Spectroscopic comparison of effects of electron radiation on mechanical properties of two polyimides

NASA Technical Reports Server (NTRS)

Long, Edward R., Jr.; Long, Sheila Ann T.

1987-01-01

The differences in the radiation durabilities of two polyimide materials, Du Pont Kapton and General Electric Ultem, are compared. An explanation of the basic mechanisms which occur during exposure to electron radiation from analyses of infrared (IR) and electron paramagnetic resonance (EPR) spectroscopic data for each material is provided. The molecular model for Kapton was, in part, established from earlier modeling for Ultem (pp. 1293-1298 of IEEE Transactions on Nuclear Science, December 1984). Techniques for understanding the durability of one complex polymer based on the understanding of a different and equally complex polymer are demonstrated. The spectroscopic data showed that the primary radiation-generated change in the tensile properties of Ultem (a large reduction in tensile elongation) was due to crosslinking, which followed the capture by phenyl radicals of hydrogen atoms removed from gem-dimethyl groups. In contrast, the tensile properties of Kapton remained unchanged because radical-radical recombination, a self-mending process, took place.

Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives.

PubMed

Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

2014-10-15

Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, (1)H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu=0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives

NASA Astrophysics Data System (ADS)

Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

2014-10-01

Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, 1H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445 nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu = 0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules.

Infrared spectroscopic near-field mapping of single nanotransistors.

PubMed

Huber, A J; Wittborn, J; Hillenbrand, R

2010-06-11

We demonstrate the application of scattering-type scanning near-field optical microscopy (s-SNOM) for infrared (IR) spectroscopic material recognition in state-of-the-art semiconductor devices. In particular, we employ s-SNOM for imaging of industrial CMOS transistors with a resolution better than 20 nm, which allows for the first time IR spectroscopic recognition of amorphous SiO(2) and Si(3)N(4) components in a single transistor device. The experimentally recorded near-field spectral signature of amorphous SiO(2) shows excellent agreement with model calculations based on literature dielectric values, verifying that the characteristic near-field contrasts of SiO(2) stem from a phonon-polariton resonant near-field interaction between the probing tip and the SiO(2) nanostructures. Local material recognition by s-SNOM in combination with its capabilities of contact-free and non-invasive conductivity- and strain-mapping makes IR near-field microscopy a versatile metrology technique for nanoscale material characterization and semiconductor device analysis with application potential in research and development, failure analysis and reverse engineering.

Synthesis, characterization, and application of novel biodegradable self-assembled 2-(N-phthalimido) ethyl-palmitate nanoparticles for cancer therapy

NASA Astrophysics Data System (ADS)

Kasoju, Naresh; Bora, Debajeet K.; Bhonde, Ramesh R.; Bora, Utpal

2010-03-01

We report the synthesis of novel biodegradable nanoparticles (NPs) which can kill the cancer cells without any additional drug loading. The NP was a self-assembled form of a phthalimide based conjugate, in which the phthalimide moiety was responsible for the anticancer activity. We describe the synthesis of a novel 2-(N-phthalimido) ethyl palmitate (PHEP-Pal) conjugate and subsequent preparation of NPs by a simple self assembly process. The successful synthesis of conjugate was confirmed by various characterization studies including nuclear magnetic resonance spectroscope, Fourier transform infrared spectroscope, TOF-liquid chromatography mass spectroscope, differential scanning calorimetry, and X-ray diffraction unit. The synthesis, shape, size, and size distribution of PHEP-Pal NPs were determined by transmission electron microscope, atomic force microscope, and dynamic light scattering technique. Finally, cell culture studies using A549 and HeLa cells were done to evaluate the anticancer effect of PHEP-Pal NPs, which demonstrated the potency of these NPs for use in cancer chemotherapy.

Isolation, spectroscopic and density functional theory studies of 7-(4-methoxyphenyl)-9H-furo[2,3-f]chromen-9-one: a new flavonoid from the bark of Millettia ovalifolia.

PubMed

Taj Ur Rahman; Arfan, Mohammad; Mahmood, Tariq; Liaqat, Wajiha; Gilani, Mazhar Amjad; Uddin, Ghias; Ludwig, Ralf; Zaman, Khair; Choudhary, M Iqbal; Khattak, Khanzadi Fatima; Ayub, Khurshid

2015-07-05

The phytochemical examination of chloroform soluble fraction (FX2) of methanolic extract of bark of Millettia ovalifolia yielded a new flavonoid; 7-(4-methoxyphenyl)-9H-furo [2,3-f]chromen-9-one (1). Compound 1 is characterized by spectroscopic analytical techniques such as UV, IR, 1D, 2D NMR spectroscopy, and mass spectrometry. A theoretical model is also developed for obtaining geometric, electronic and spectroscopic properties of 1. The geometry optimization and harmonic vibration simulations have been carried out at B3LYP/6-31G(d,p). The vibrational spectrum of compound 1 shows nice correlation with the experimental IR spectrum, through a scaling factor of 0.9613. (1)H and (13)C NMR chemical shifts are simulated using Cramer's re-parameterized function WP04 at 6-31G(d,p) basis set, and correlate nicely with the experimental chemical shifts. Copyright © 2015 Elsevier B.V. All rights reserved.

Vibrational monitor of early demineralization in tooth enamel after in vitro exposure to phosphoridic liquid

NASA Astrophysics Data System (ADS)

Pezzotti, Giuseppe; Adachi, Tetsuya; Gasparutti, Isabella; Vincini, Giulio; Zhu, Wenliang; Boffelli, Marco; Rondinella, Alfredo; Marin, Elia; Ichioka, Hiroaki; Yamamoto, Toshiro; Marunaka, Yoshinori; Kanamura, Narisato

2017-02-01

The Raman spectroscopic method has been applied to quantitatively assess the in vitro degree of demineralization in healthy human teeth. Based on previous evaluations of Raman selection rules (empowered by an orientation distribution function (ODF) statistical algorithm) and on a newly proposed analysis of phonon density of states (PDOS) for selected vibrational modes of the hexagonal structure of hydroxyapatite, a molecular-scale evaluation of the demineralization process upon in vitro exposure to a highly acidic beverage (i.e., CocaCola™ Classic, pH = 2.5) could be obtained. The Raman method proved quite sensitive and spectroscopic features could be directly related to an increase in off-stoichiometry of the enamel surface structure since the very early stage of the demineralization process (i.e., when yet invisible to other conventional analytical techniques). The proposed Raman spectroscopic algorithm might possess some generality for caries risk assessment, allowing a prompt non-contact diagnostic practice in dentistry.

Isolation, spectroscopic and density functional theory studies of 7-(4-methoxyphenyl)-9H-furo[2,3-f]chromen-9-one: A new flavonoid from the bark of Millettia ovalifolia

NASA Astrophysics Data System (ADS)

Rahman, Taj Ur; Arfan, Mohammad; Mahmood, Tariq; Liaqat, Wajiha; Gilani, Mazhar Amjad; Uddin, Ghias; Ludwig, Ralf; Zaman, Khair; Choudhary, M. Iqbal; Khattak, Khanzadi Fatima; Ayub, Khurshid

2015-07-01

The phytochemical examination of chloroform soluble fraction (FX2) of methanolic extract of bark of Millettia ovalifolia yielded a new flavonoid; 7-(4-methoxyphenyl)-9H-furo [2,3-f]chromen-9-one (1). Compound 1 is characterized by spectroscopic analytical techniques such as UV, IR, 1D, 2D NMR spectroscopy, and mass spectrometry. A theoretical model is also developed for obtaining geometric, electronic and spectroscopic properties of 1. The geometry optimization and harmonic vibration simulations have been carried out at B3LYP/6-31G(d,p). The vibrational spectrum of compound 1 shows nice correlation with the experimental IR spectrum, through a scaling factor of 0.9613. 1H and 13C NMR chemical shifts are simulated using Cramer's re-parameterized function WP04 at 6-31G(d,p) basis set, and correlate nicely with the experimental chemical shifts.

The Hydrothermal Diamond Anvil Cell (HDAC) for raman spectroscopic studies of geologic fluids at high pressures and temperatures

USGS Publications Warehouse

Schmidt, Christian; Chou, I-Ming; Dubessy, Jean; Caumon, Marie-Camille; Pérez, Fernando Rull

2012-01-01

In this chapter, we describe the hydrothermal diamond-anvil cell (HDAC), which is specifically designed for experiments on systems with aqueous fluids to temperatures up to ⬚~1000ºC and pressures up to a few GPa to tens of GPa. This cell permits optical observation of the sample and the in situ determination of properties by ‘photon-in photon-out’ techniques such as Raman spectroscopy. Several methods for pressure measurement are discussed in detail including the Raman spectroscopic pressure sensors a-quartz, berlinite, zircon, cubic boron nitride (c-BN), and 13C-diamond, the fluorescence sensors ruby (α-Al2O3:Cr3+), Sm:YAG (Y3Al5O12:Sm3+) and SrB4O7:Sm2+, and measurements of phase-transition temperatures. Furthermore, we give an overview of published Raman spectroscopic studies of geological fluids to high pressures and temperatures, in which diamond anvil cells were applied.

Chapter 7: The hydrothermal diamond anvil cell (HDAC) for Raman spectroscopic studies of geological fluids at high pressures and temperatures

USGS Publications Warehouse

Schmidt, Christian; Chou, I-Ming; Dubessy, J.; Caumon, M.-C.; Rull, F.

2012-01-01

In this chapter, we describe the hydrothermal diamond-anvil cell (HDAC), which is specifically designed for experiments on systems with aqueous fluids to temperatures up to ~1000ºC and pressures up to a few GPa to tens of GPa. This cell permits optical observation of the sample and the in situ determination of properties by ‘photon-in photon-out’ techniques such as Raman spectroscopy. Several methods for pressure measurement are discussed in detail including the Raman spectroscopic pressure sensors a-quartz, berlinite, zircon, cubic boron nitride (c-BN), and 13C-diamond, the fluorescence sensors ruby (α-Al2O3:Cr3+), Sm:YAG (Y3Al5O12:Sm3+) and SrB4O7:Sm2+, and measurements of phase-transition temperatures. Furthermore, we give an overview of published Raman spectroscopic studies of geological fluids to high pressures and temperatures, in which diamond anvil cells were applied.