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Sample records for 2d infrared correlation

  1. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    PubMed

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  2. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    NASA Astrophysics Data System (ADS)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  3. Near-infrared (NIR) monitoring of Nylon 6 during quenching studied by projection two-dimensional (2D) correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Shinzawa, Hideyuki; Mizukado, Junji

    2016-11-01

    Evolutionary change in supermolecular structure of Nylon 6 during its melt-quenched process was studied by Near-infrared (NIR) spectroscopy. Time-resolved NIR spectra was measured by taking the advantage of high-speed NIR monitoring based on an acousto-optic tunable filter (AOTF). Fine spectral features associated with the variation of crystalline and amorphous structure occurring in relatively short time scale were readily captured. For example, synchronous and asynchronous 2D correlation spectra reveal the initial decrease in the contribution of the NIR band at 1485 nm due to the amorphous structure, predominantly existing in the melt Nylon 6. This is then followed by the emerging contribution of the band intensity at 1535 nm associated with the crystalline structure. Consequently, the results clearly demonstrate a definite advantage of the high-speed NIR monitoring for analyzing fleeting phenomena.

  4. Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

    NASA Astrophysics Data System (ADS)

    Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

    2016-11-01

    The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the PLGA main chain were induced by deprotonation of the carboxylic acid side group.

  5. Two-dimensional correlation spectroscopy (2D-COS) variable selection for near-infrared microscopy discrimination of meat and bone meal in compound feed.

    PubMed

    Lü, Chengxu; Chen, Longjian; Yang, Zengling; Liu, Xian; Han, Lujia

    2014-01-01

    This article presents a novel method for combining auto-peak and cross-peak information for sensitive variable selection in synchronous two-dimensional correlation spectroscopy (2D-COS). This variable selection method is then applied to the case of near-infrared (NIR) microscopy discrimination of meat and bone meal (MBM). This is of important practical value because MBM is currently banned in ruminate animal compound feed. For the 2D-COS analysis, a set of NIR spectroscopy data of compound feed samples (adulterated with varying concentrations of MBM) was pretreated using standard normal variate and detrending (SNVD) and then mapped to the 2D-COS synchronous matrix. For the auto-peak analysis, 12 main sensitive variables were identified at 6852, 6388, 6320, 5788, 5600, 5244, 4900, 4768, 4572, 4336, 4256, and 4192 cm(-1). All these variables were assigned their specific spectral structure and chemical component. For the cross-peak analysis, these variables were divided into two groups, each group containing the six sensitive variables. This grouping resulted in a correlation between the spectral variables that was in accordance with the chemical-component content of the MBM and compound feed. These sensitive variables were then used to build a NIR microscopy discrimination model, which yielded a 97% correct classification. Moreover, this method detected the presence of MBM when its concentration was less than 1% in an adulterated compound feed sample. The concentration-dependent 2D-COS-based variable selection method developed in this study has the unique advantages of (1) introducing an interpretive aspect into variable selection, (2) substantially reducing the complexity of the computations, (3) enabling the transferability of the results to discriminant analysis, and (4) enabling the efficient compression of spectral data.

  6. The roles of carbohydrates, proteins and lipids in the process of aggregation of natural marine organic matter investigated by means of 2D correlation spectroscopy applied to infrared spectra.

    PubMed

    Mecozzi, Mauro; Pietrantonio, Eva; Pietroletti, Marco

    2009-01-01

    In this paper the marine organic matter soluble in an alkaline medium called extractable humic substance (EHS), was extracted from three sediment samples of Tyrrhenian Sea and separated by precipitation at pH 2 in the two fractions of fulvic acids (FAs) and humic acids (HAs). FAs were further fractionated in seven sub-samples of different molecular weight (mw) by means of seven different ultrafiltration membranes operating in the range between mw<1 kDa and mw>100 kDa. Then the qualitative composition of each sample of fractionated FAs and HAs was studied by means of one-dimensional Fourier transform infrared spectroscopy in reflectance mode (FTIR-DRIFT) and by two-dimensional (2D) correlation spectroscopy both in wavelength-wavelength (WW) and in sample-sample (SS) mode. The application of 2D correlation WW spectroscopy allows to elucidate the different roles played by carbohydrates and proteins with respect to some lipid compounds such as fatty acids and ester fatty acids during the process of aggregate formations from mw approximately 1 kDa to higher size aggregates. In addition, 2D correlation WW spectroscopy allows to observe some peculiar interactions between carbohydrates and proteins in the formation of EHS aggregates, interactions which vary from a sample to another sample. The results of 2D correlation SS spectroscopy confirm the general evidences obtained by 2D WW spectroscopy and moreover, they also describe the formation of EHS aggregates as a complex process where evolutionary links and connectivity between aggregates of neighbour molecular size ranges are not evident. Two-dimensional correlation spectroscopy applied to FTIR spectroscopy shows to be a powerful tool for the investigation of the mechanisms involved in EHS aggregation because it supports the acquisition of structural information which sometimes can be hardly obtained by one-dimensional FTIR spectroscopy.

  7. The roles of carbohydrates, proteins and lipids in the process of aggregation of natural marine organic matter investigated by means of 2D correlation spectroscopy applied to infrared spectra

    NASA Astrophysics Data System (ADS)

    Mecozzi, Mauro; Pietrantonio, Eva; Pietroletti, Marco

    2009-01-01

    In this paper the marine organic matter soluble in an alkaline medium called extractable humic substance (EHS), was extracted from three sediment samples of Tyrrhenian Sea and separated by precipitation at pH 2 in the two fractions of fulvic acids (FAs) and humic acids (HAs). FAs were further fractionated in seven sub-samples of different molecular weight (mw) by means of seven different ultrafiltration membranes operating in the range between mw < 1 kDa and mw > 100 kDa. Then the qualitative composition of each sample of fractionated FAs and HAs was studied by means of one-dimensional Fourier transform infrared spectroscopy in reflectance mode (FTIR-DRIFT) and by two-dimensional (2D) correlation spectroscopy both in wavelength-wavelength (WW) and in sample-sample (SS) mode. The application of 2D correlation WW spectroscopy allows to elucidate the different roles played by carbohydrates and proteins with respect to some lipid compounds such as fatty acids and ester fatty acids during the process of aggregate formations from mw ˜1 kDa to higher size aggregates. In addition, 2D correlation WW spectroscopy allows to observe some peculiar interactions between carbohydrates and proteins in the formation of EHS aggregates, interactions which vary from a sample to another sample. The results of 2D correlation SS spectroscopy confirm the general evidences obtained by 2D WW spectroscopy and moreover, they also describe the formation of EHS aggregates as a complex process where evolutionary links and connectivity between aggregates of neighbour molecular size ranges are not evident. Two-dimensional correlation spectroscopy applied to FTIR spectroscopy shows to be a powerful tool for the investigation of the mechanisms involved in EHS aggregation because it supports the acquisition of structural information which sometimes can be hardly obtained by one-dimensional FTIR spectroscopy.

  8. Microwave Imaging with Infrared 2-D Lock-in Amplifier

    NASA Astrophysics Data System (ADS)

    Chiyo, Noritaka; Arai, Mizuki; Tanaka, Yasuhiro; Nishikata, Atsuhiro; Maeno, Takashi

    We have developed a 3-D electromagnetic field measurement system using 2-D lock-in amplifier. This system uses an amplitude modulated electromagnetic wave source to heat a resistive screen. A very small change of temperature on a screen illuminated with the modulated electromagnetic wave is measured using an infrared thermograph camera. In this paper, we attempted to apply our system to microwave imaging. By placing conductor patches in front of the resistive screen and illuminating with microwave, the shape of each conductor was clearly observed as the temperature difference image of the screen. In this way, the conductor pattern inside the non-contact type IC card could be visualized. Moreover, we could observe the temperature difference image reflecting the shape of a Konnyaku (a gelatinous food made from devil's-tonge starch) or a dried fishbone, both as non-conducting material resembling human body. These results proved that our method is applicable to microwave see-through imaging.

  9. Noninvasive deep Raman detection with 2D correlation analysis

    NASA Astrophysics Data System (ADS)

    Kim, Hyung Min; Park, Hyo Sun; Cho, Youngho; Jin, Seung Min; Lee, Kang Taek; Jung, Young Mee; Suh, Yung Doug

    2014-07-01

    The detection of poisonous chemicals enclosed in daily necessaries is prerequisite essential for homeland security with the increasing threat of terrorism. For the detection of toxic chemicals, we combined a sensitive deep Raman spectroscopic method with 2D correlation analysis. We obtained the Raman spectra from concealed chemicals employing spatially offset Raman spectroscopy in which incident line-shaped light experiences multiple scatterings before being delivered to inner component and yielding deep Raman signal. Furthermore, we restored the pure Raman spectrum of each component using 2D correlation spectroscopic analysis with chemical inspection. Using this method, we could elucidate subsurface component under thick powder and packed contents in a bottle.

  10. Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander

    2014-07-01

    The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin "wrapping", i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.

  11. Peak width issues with generalised 2D correlation NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kirwan, Gemma M.; Adams, Michael J.

    2008-12-01

    Two-dimensional spectral correlation analysis is shown to be sensitive to fluctuations in spectral peak width as a function of perturbation variable. This is particularly significant where peak width fluctuations are of similar order of magnitude as the peak width values themselves and where changes in peak width are not random but are, for example, proportional to intensity. In such cases these trends appear in the asynchronous matrix as false peaks that serve to interfere with interpretation of the data. Complex, narrow band spectra such as provided by 1H NMR spectroscopy are demonstrated to be prone to such interference. 2D correlation analysis was applied to a series of NMR spectra corresponding to a commercial wine fermentation, in which the samples collected over a period of several days exhibit dramatic changes in concentration of minor and major components. The interference due to changing peak width effects is eliminated by synthesizing the recorded spectra using a constant peak width value prior to performing 2D correlation analysis.

  12. Transport Experiments on 2D Correlated Electron Physics in Semiconductors

    SciTech Connect

    Tsui, Daniel

    2014-03-24

    This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.

  13. Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations.

    PubMed

    Najbauer, Eszter E; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György

    2015-08-20

    The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, six conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-life of (3.7 ± 0.5) × 10(3) s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser-induced conversions revealed that the excitation of the stretching overtone of both the side chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations.

  14. [Study on the processing of leech by FTIR and 2D-IR correlation spectroscopy].

    PubMed

    Li, Bing-Ning; Wu, Yan-Wen; Ouyang, Jie; Sun, Su-Qin; Chen, Shun-Cong

    2011-04-01

    The chemical differences of traditional Chinese medicine leech before and after processing were analyzed by FTIR and two-dimensional correlation infrared (2D-IR) spectroscopy. The result showed that the leech was high in protein, with characteristic peaks of amide I, II bands. Comparing the IR spectra of samples, the primary difference was that the characteristic peak of fresh leech was at 1 543 cm(-1), while that of crude and processed leech was at 1 535 cm(-1). A 2D-IR spectrum with heating perturbation was used to track the processing dynamics of leech In the 2D-IR correlation spectra, fresh leech exhibited stronger automatic peaks of the amide I and II bands than that of processed leech, which indicates that the protein components of the fresh leech were more sensitive to heat perturbation than the processed one. Moreover, the result of FTIR and 2D-IR correlation spectra validated that the 3-dimensional structure of protein was damaged and hydrogen bonds were broken after processing, which resulted in the inactivation of protein. The fatty acids and cholesterol components of leech were also oxidized in this process.

  15. Probing Spatio-Temporal Correlation in Complex Aqueous Systems through 2D-IR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bagchi, Biman; Biswas, Rajib; Samanta, Tuhin; Ghosh, Rikhia; Roy, Susmita

    2015-03-01

    Heterogeneity is ubiquitous in aqueous solutions, e.g., in protein and DNA solutions, micelles and reverse micelles, density fluctuations during phase transitions (e,g., water to ice). Origin of heterogeneity can be diverse, sometimes stimulated by external biomolecular subsystems (proteins, DNA, lipids), nanoscopic materials etc, but may also be intrinsic to the thermodynamic nature of the aqueous solution itself. The altered dynamics of water in presence of such diverse surfaces have attracted considerable attention in recent years. However, efficiently capturing the length and timescale of heterogeneous dynamics of water is indeed a challenging task. Recent development of two dimensional infra-red (2D-IR) allows us to estimate length and time scales of such dynamics fairly accurately. In this work, we present a series of interesting studies employing two dimensional infra-red spectroscopy (2D-IR) to investigate (i) dynamics of water inside reverse micelles of varying sizes, (ii) supercritical water near the Widom line that is known to exhibit pronounced density fluctuation and calculate. The respective studies reveal a number of interesting facts. Spatio-temporal correlation of water dynamics with varying size of reverse micelles is well captured through the spectral diffusion of corresponding 2D-IR spectra. In case of supercritical water also, we observe strong signature of dynamic heterogeneity from the elongated nature of the spectra.

  16. Framework for 2D-3D image fusion of infrared thermography with preoperative MRI.

    PubMed

    Hoffmann, Nico; Weidner, Florian; Urban, Peter; Meyer, Tobias; Schnabel, Christian; Radev, Yordan; Schackert, Gabriele; Petersohn, Uwe; Koch, Edmund; Gumhold, Stefan; Steiner, Gerald; Kirsch, Matthias

    2017-01-23

    Multimodal medical image fusion combines information of one or more images in order to improve the diagnostic value. While previous applications mainly focus on merging images from computed tomography, magnetic resonance imaging (MRI), ultrasonic and single-photon emission computed tomography, we propose a novel approach for the registration and fusion of preoperative 3D MRI with intraoperative 2D infrared thermography. Image-guided neurosurgeries are based on neuronavigation systems, which further allow us track the position and orientation of arbitrary cameras. Hereby, we are able to relate the 2D coordinate system of the infrared camera with the 3D MRI coordinate system. The registered image data are now combined by calibration-based image fusion in order to map our intraoperative 2D thermographic images onto the respective brain surface recovered from preoperative MRI. In extensive accuracy measurements, we found that the proposed framework achieves a mean accuracy of 2.46 mm.

  17. The infrared spectrum of the Ne-C2D2 complex.

    PubMed

    Moazzen-Ahmadi, N; McKellar, A R W; Fernández, Berta; Farrelly, David

    2015-11-28

    Infrared spectra of Ne-C2D2 are observed in the region of the ν3 fundamental band (asymmetric C-D stretch, ≈2440 cm(-1)) using a tunable optical parametric oscillator to probe a pulsed supersonic slit jet expansion from a cooled nozzle. Like helium-acetylene, this system lies close to the free rotor limit, making analysis tricky because stronger transitions tend to pile up close to monomer (C2D2) rotation-vibration transitions. Assignments are aided by predicted rotational energies calculated from a published ab initio intermolecular potential energy surface. The analysis extends up to the j = 3←2 band, where j labels C2D2 rotation within the dimer, and is much more complete than the limited infrared assignments previously reported for Ne-C2H2 and Ne-C2HD. Two previous microwave transitions within the j = 1 state of Ne-C2D2 are reassigned. Coriolis model fits to the theoretical levels and to the spectrum are compared. Since the variations observed as a function of C2D2 vibrational excitation are comparable to those noted between theory and experiment, it is evident that more detailed testing of theory will require vibrational averaging over the acetylene intramolecular modes.

  18. Synchronous two-dimensional MIR correlation spectroscopy (2D-COS) as a novel method for screening smoke tainted wine.

    PubMed

    Fudge, Anthea L; Wilkinson, Kerry L; Ristic, Renata; Cozzolino, Daniel

    2013-08-15

    In this study, two-dimensional correlation spectroscopy (2D-COS) combined with mid-infrared (MIR) spectroscopy was evaluated as a novel technique for the identification of spectral regions associated with smoke-affected wine, for the purpose of screening taint arising from grapevine exposure to smoke. Smoke-affected wines obtained from experimental and industry sources were analysed using MIR spectroscopy and chemometrics, and calibration models developed. 2D-COS analysis was used to generate synchronous data maps for red and white cask wines spiked with guaiacol, a marker of smoke taint. Correlations were observed at wavelengths that could be attributable to aromatic C-C stretching, i.e., between 1400 and 1500 cm(-1), indicative of volatile phenols. These results demonstrate the potential of 2D-COS as a rapid, high-throughput technique for the preliminary screening of smoke tainted wine.

  19. Infrared pulsed fiber lasers employing 2D nanomaterials as saturable absorbers

    NASA Astrophysics Data System (ADS)

    Liu, Yong; Li, Heping; Li, Jianfeng

    2016-11-01

    We demonstrate that two kinds of 2D nanomaterials are employed as saturable absorbers to realize infrared pulsed fiber lasers at 1.5 μm and 3 μm, respectively. Mode-locked optical pulses are achieved at 1.5 μm erbium-doped fiber lasers by using multilayer molybdenum disulfide (MoS2). In addition, Q-switched fiber lasers are realized at 3 μm region by using topological insulator: Bi2Te3. Experimental proofs are provided. Our work reveals that 2D nanomaterials like MoS2 and TI: Bi2Te3 are absolutely a class of promising and reliable saturable absorbers for optical pulse generation at infrared waveband.

  20. The infrared spectrum of the Ar-C2D2 complex

    NASA Astrophysics Data System (ADS)

    Rezaei, M.; McKellar, A. R. W.; Moazzen-Ahmadi, N.

    2016-10-01

    Infrared spectra of Ar-C2D2 are observed in the region of the ν3 fundamental band (asymmetric C-D stretch, ≈2440 cm-1) using a tunable optical parametric oscillator to probe a pulsed supersonic slit jet expansion from a cooled nozzle. Transitions are assigned involving K = 0-2 in the ground vibrational state, and K = 0-4 in the excited state. The intermolecular bending combination band is also observed, giving a bending frequency of 4.798 cm-1. Despite this low bending frequency, the Ar-C2D2 spectrum qualitatively resembles that of a normal semi-rigid molecule, in contrast to He- and Ne-C2D2 which are much closer to the limit of free internal rotation.

  1. Bond Order Correlations in the 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Moore, Conrad; Abu Asal, Sameer; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

    We use the dynamical cluster approximation to study the bond correlations in the Hubbard model with next nearest neighbor (nnn) hopping to explore the region of the phase diagram where the Fermi liquid phase is separated from the pseudogap phase by the Lifshitz line at zero temperature. We implement the Hirsch-Fye cluster solver that has the advantage of providing direct access to the computation of the bond operators via the decoupling field. In the pseudogap phase, the parallel bond order susceptibility is shown to persist at zero temperature while it vanishes for the Fermi liquid phase which allows the shape of the Lifshitz line to be mapped as a function of filling and nnn hopping. Our cluster solver implements NVIDIA's CUDA language to accelerate the linear algebra of the Quantum Monte Carlo to help alleviate the sign problem by allowing for more Monte Carlo updates to be performed in a reasonable amount of computation time. Work supported by the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

  2. Infrared and Ultraviolet Spectra of Diborane(6): B2H6 and B2D6.

    PubMed

    Peng, Yu-Chain; Chou, Sheng-Lung; Lo, Jen-Iu; Lin, Meng-Yeh; Lu, Hsiao-Chi; Cheng, Bing-Ming; Ogilvie, J F

    2016-07-21

    We recorded absorption spectra of diborane(6), B2H6 and B2D6, dispersed in solid neon near 4 K in both mid-infrared and ultraviolet regions. For gaseous B2H6 from 105 to 300 nm, we report quantitative absolute cross sections; for solid B2H6 and for B2H6 dispersed in solid neon, we measured ultraviolet absorbance with relative intensities over a wide range. To assign the mid-infrared spectra to specific isotopic variants, we applied the abundance of (11)B and (10)B in natural proportions; we undertook quantum-chemical calculations of wavenumbers associated with anharmonic vibrational modes and the intensities of the harmonic vibrational modes. To aid an interpretation of the ultraviolet spectra, we calculated the energies of electronically excited singlet and triplet states and oscillator strengths for electronic transitions from the electronic ground state.

  3. Infrared imaging of 2-D temperature distribution during cryogen spray cooling.

    PubMed

    Choi, Bernard; Welch, Ashley J

    2002-12-01

    Cryogen spray cooling (CSC) is used in conjunction with pulsed laser irradiation for treatment of dermatologic indications. The main goal of this study was to determine the radial temperature distribution created by CSC and evaluate the importance of radial temperature gradients upon the subsequent analysis of tissue cooling throughout the skin. Since direct measurement of surface temperatures during CSC are hindered by the formation of a liquid cryogen layer, temperature distributions were estimated using a thin, black aluminum sheet. An infrared focal plane array camera was used to determine the 2-D backside temperature distribution during a cryogen spurt, which preliminary measurements have shown is a good indicator of the front-side temperature distribution. The measured temperature distribution was approximately gaussian in shape. Next, the transient temperature distributions in skin were calculated for two cases: 1) the standard 1-D solution which assumes a uniform cooling temperature distribution, and 2) a 2-D solution using a nonuniform surface cooling temperature distribution based upon the back-side infrared temperature measurements. At the end of a 100-ms cryogen spurt, calculations showed that, for the two cases, large discrepancies in temperatures at the surface and at a 60-micron depth were found at radii greater than 2.5 mm. These results suggest that it is necessary to consider radial temperature gradients during cryogen spray cooling of tissue.

  4. Comparative Variable Temperature Studies of Polyamide II with a Benchtop Fourier Transform and a Miniature Handheld Near-Infrared Spectrometer Using 2D-COS and PCMW-2D Analysis.

    PubMed

    Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W

    2016-07-01

    The main objective of this communication is to compare the performance of a miniaturized handheld near-infrared (NIR) spectrometer with a benchtop Fourier transform near-infrared (FT-NIR) spectrometer. Generally, NIR spectroscopy is an extremely powerful analytical tool to study hydrogen-bonding changes of amide functionalities in solid and liquid materials and therefore variable temperature NIR measurements of polyamide II (PAII) have been selected as a case study. The information content of the measurement data has been further enhanced by exploiting the potential of two-dimensional correlation spectroscopy (2D-COS) and the perturbation correlation moving window two-dimensional (PCMW2D) evaluation technique. The data provide valuable insights not only into the changes of the hydrogen-bonding structure and the recrystallization of the hydrocarbon segments of the investigated PAII but also in their sequential order. Furthermore, it has been demonstrated that the 2D-COS and PCMW2D results derived from the spectra measured with the miniaturized NIR instrument are equivalent to the information extracted from the data obtained with the high-performance FT-NIR instrument.

  5. The infrared spectrum of the He–C{sub 2}D{sub 2} complex

    SciTech Connect

    Moazzen-Ahmadi, N.; McKellar, A. R. W.; Fernández, Berta; Farrelly, David

    2015-02-28

    Spectra of the helium-acetylene complex are elusive because this weakly bound system lies close to the free rotor limit. Previously, limited assignments of He–C{sub 2}D{sub 2} transitions in the R(0) region of the ν{sub 3} fundamental band (≈2440 cm{sup −1}) were published. Here, new He–C{sub 2}D{sub 2} infrared spectra of this band are obtained using a tunable optical parametric oscillator laser source to probe a pulsed supersonic slit jet expansion from a cooled nozzle, and the analysis is extended to the weaker and more difficult P(1) and R(1) regions. A term value approach is used to obtain a consistent set of “experimental” energy levels. These are compared directly with calculations using two recently reported ab initio intermolecular potential energy surfaces, which exhibit small but significant differences. Rovibrational energies for the He–C{sub 2}H{sub 2} complex are also calculated using both surfaces. A Coriolis model, useful for predicting spectral intensities, is used to interpret the energy level patterns, and a comparison with the isoelectronic complex He–CO is made.

  6. 2D Emission Line Galaxies in the Faint Infrared Galaxy Survey

    NASA Astrophysics Data System (ADS)

    Pirzkal, Nor; Ryan, Russell E.; Rothberg, Barry; Meurer, Gerhardt R.; Malhotra, Sangeeta; Rhoads, James E.; Koekemoer, Anton M.; Finkelstein, Steven; Grogin, Norman A.

    2015-08-01

    The Faint Infrared Galaxy Survey (FIGS) provides us with a unique opportunity to identify emission line galaxies. Emission lines such as [OII], [OIII], Hα and Lya lines can be identified in the FIGS slitless spectroscopic observations down to faint line fluxes of a few times 10-17 erg/s/cm2. Crucially, the use of multiple observations, taken at different position angles on the sky allows us to accurately determine the location of these star forming regions within individual galaxies using the Emission Line 2D (EM2D) method. Our ability to detect high equivalent width lines independently of any host galaxies allows us to search for naked emission line objects. Combining this method with the wavelength coverage of the G102 grism, we are able to identify emission line objects using [OII] and [OIII], and Hα over 0.2 < z < 2 and using Lyman alpha from 6 < z < 8. Here, we present the first results on star forming galaxies selected using this method and demonstrate the wealth of data to be expected from the FIGS project.

  7. Simulation study of 2D spectrum of molecular aggregates coupled to correlated vibrations

    NASA Astrophysics Data System (ADS)

    Abramavicius, Darius; Butkus, Vytautas; Valkunas, Leonas; Mukamel, Shaul

    2011-03-01

    Oscillatory dynamics of two-dimensional (2D) spectra of photosynthetic pigment-protein complexes raise the questions of how to disentangle various origins of these oscillations, which may include quantum beats, quantum transport, or molecular vibrations. We study the effects of correlated overdamped fluctuations and under-damped vibrations on the 2D spectra of Fenna-Matthews-Olson (FMO) aggregate, which has well-resolved exciton resonances, and a circular porphyrin aggregate (P6), whose absorption shows vibrational progression. We use a generic exciton Hamiltonian coupled to a bath, characterized by a spectral density. Fluctuations have smooth, while vibtations have δ -type spectral densities. We show how various scenarios of correlated molecular fluctuations lead to some highly oscillatory crosspeaks. Molecular vibrations cause progression of diagonal peaks in the 2D spectrum and make their corresponding cross-peaks highly oscillatory. We, thus, demonstrate that bath fluctuations and molecular vibrations of realistic molecular aggregates are highly entangled in 2D spectroscopy. DA acknowledges grant VP1-3.1-SMM-07-V, SM - the grants CHE0745892 (NSF), DRPA BAA-10-40 QUBE.

  8. A comparison of 2D and 3D digital image correlation for a membrane under inflation

    PubMed Central

    Murienne, Barbara J.; Nguyen, Thao D.

    2015-01-01

    Three-dimensional (3D) digital image correlation (DIC) is becoming widely used to characterize the behavior of structures undergoing 3D deformations. However, the use of 3D-DIC can be challenging under certain conditions, such as high magnification, and therefore small depth of field, or a highly controlled environment with limited access for two-angled cameras. The purpose of this study is to compare 2D-DIC and 3D-DIC for the same inflation experiment and evaluate whether 2D-DIC can be used when conditions discourage the use of a stereo-vision system. A latex membrane was inflated vertically to 5.41 kPa (reference pressure), then to 7.87 kPa (deformed pressure). A two-camera stereo-vision system acquired top-down images of the membrane, while a single camera system simultaneously recorded images of the membrane in profile. 2D-DIC and 3D-DIC were used to calculate horizontal (in the membrane plane) and vertical (out of the membrane plane) displacements, and meridional strain. Under static conditions, the baseline uncertainty in horizontal displacement and strain were smaller for 3D-DIC than 2D-DIC. However, the opposite was observed for the vertical displacement, for which 2D-DIC had a smaller baseline uncertainty. The baseline absolute error in vertical displacement and strain were similar for both DIC methods, but it was larger for 2D-DIC than 3D-DIC for the horizontal displacement. Under inflation, the variability in the measurements were larger than under static conditions for both DIC methods. 2D-DIC showed a smaller variability in displacements than 3D-DIC, especially for the vertical displacement, but a similar strain uncertainty. The absolute difference in the average displacements and strain between 3D-DIC and 2D-DIC were in the range of the 3D-DIC variability. Those findings suggest that 2D-DIC might be used as an alternative to 3D-DIC to study the inflation response of materials under certain conditions. PMID:26543296

  9. A comparison of 2D and 3D digital image correlation for a membrane under inflation.

    PubMed

    Murienne, Barbara J; Nguyen, Thao D

    2016-02-01

    Three-dimensional (3D) digital image correlation (DIC) is becoming widely used to characterize the behavior of structures undergoing 3D deformations. However, the use of 3D-DIC can be challenging under certain conditions, such as high magnification, and therefore small depth of field, or a highly controlled environment with limited access for two-angled cameras. The purpose of this study is to compare 2D-DIC and 3D-DIC for the same inflation experiment and evaluate whether 2D-DIC can be used when conditions discourage the use of a stereo-vision system. A latex membrane was inflated vertically to 5.41 kPa (reference pressure), then to 7.87 kPa (deformed pressure). A two-camera stereo-vision system acquired top-down images of the membrane, while a single camera system simultaneously recorded images of the membrane in profile. 2D-DIC and 3D-DIC were used to calculate horizontal (in the membrane plane) and vertical (out of the membrane plane) displacements, and meridional strain. Under static conditions, the baseline uncertainty in horizontal displacement and strain were smaller for 3D-DIC than 2D-DIC. However, the opposite was observed for the vertical displacement, for which 2D-DIC had a smaller baseline uncertainty. The baseline absolute error in vertical displacement and strain were similar for both DIC methods, but it was larger for 2D-DIC than 3D-DIC for the horizontal displacement. Under inflation, the variability in the measurements were larger than under static conditions for both DIC methods. 2D-DIC showed a smaller variability in displacements than 3D-DIC, especially for the vertical displacement, but a similar strain uncertainty. The absolute difference in the average displacements and strain between 3D-DIC and 2D-DIC were in the range of the 3D-DIC variability. Those findings suggest that 2D-DIC might be used as an alternative to 3D-DIC to study the inflation response of materials under certain conditions.

  10. A comparison of 2D and 3D digital image correlation for a membrane under inflation

    NASA Astrophysics Data System (ADS)

    Murienne, Barbara J.; Nguyen, Thao D.

    2016-02-01

    Three-dimensional (3D) digital image correlation (DIC) is becoming widely used to characterize the behavior of structures undergoing 3D deformations. However, the use of 3D-DIC can be challenging under certain conditions, such as high magnification, and therefore small depth of field, or a highly controlled environment with limited access for two-angled cameras. The purpose of this study is to compare 2D-DIC and 3D-DIC for the same inflation experiment and evaluate whether 2D-DIC can be used when conditions discourage the use of a stereo-vision system. A latex membrane was inflated vertically to 5.41 kPa (reference pressure), then to 7.87 kPa (deformed pressure). A two-camera stereo-vision system acquired top-down images of the membrane, while a single camera system simultaneously recorded images of the membrane in profile. 2D-DIC and 3D-DIC were used to calculate horizontal (in the membrane plane) and vertical (out of the membrane plane) displacements, and meridional strain. Under static conditions, the baseline uncertainty in horizontal displacement and strain were smaller for 3D-DIC than 2D-DIC. However, the opposite was observed for the vertical displacement, for which 2D-DIC had a smaller baseline uncertainty. The baseline absolute error in vertical displacement and strain were similar for both DIC methods, but it was larger for 2D-DIC than 3D-DIC for the horizontal displacement. Under inflation, the variability in the measurements were larger than under static conditions for both DIC methods. 2D-DIC showed a smaller variability in displacements than 3D-DIC, especially for the vertical displacement, but a similar strain uncertainty. The absolute difference in the average displacements and strain between 3D-DIC and 2D-DIC were in the range of the 3D-DIC variability. Those findings suggest that 2D-DIC might be used as an alternative to 3D-DIC to study the inflation response of materials under certain conditions.

  11. Automatic angle measurement of a 2D object using optical correlator-neural networks hybrid system

    NASA Astrophysics Data System (ADS)

    Manivannan, N.; Neil, M. A. A.

    2011-04-01

    In this paper a novel method is proposed and demonstrated for automatic rotation angle measurement of a 2D object using a hybrid architecture, consisting of a 4f optical correlator with a binary phase only multiplexed matched filter and a single layer neural network. The hybrid set-up can be considered as a two-layer perceptron-like neural network; an optical correlator is the first layer and the standard single layer neural network is the second layer. The training scheme used to train the hybrid architecture is a combination of a Direct Binary Search algorithm, to train the optical correlator, and an Error Back Propagation algorithm, to train the neural network. The aim is to perform the major information processing by the optical correlator with a small additional processing by the neural network stage. This allows the system to be used for real-time applications as optics has the inherent ability to process information in a parallel manner at high speed. The neural network stage gives an extra dimension of freedom so that complicated tasks like automatic rotation angle measurement can be achieved. Results of both computer simulation and experimental set-up are presented for rotation angle measurement of an English alphabetic character as a 2D object. The experimental set-up consists of a real optical correlator using two spatial light modulators for both input and frequency plane representations and a PC based model of a single layer network.

  12. Two-dimensional hetero-spectral mid-infrared and near-infrared correlation spectroscopy for discrimination adulterated milk.

    PubMed

    Yang, Renjie; Liu, Rong; Dong, Guimei; Xu, Kexin; Yang, Yanrong; Zhang, Weiyu

    2016-03-15

    A new approach for discriminant analysis of adulterated milk is proposed based on two-dimensional (2D) hetero-spectral near-infrared (NIR) and mid-infrared (IR) correlation spectroscopy along with multi-way partial least squares discriminant analysis (NPLS-DA). NIR transmittance spectra and IR attenuated total reflection spectra of pure milk and adulterated milk with level of melamine varying from 0.03 to 3 g·L(-1) were collected at room temperature. The synchronous 2D hetero-spectral IR/NIR correlation spectra of all samples were calculated to build a discriminant model to classify adulterated milk and pure milk. Also, the NPLS-DA models were built based on synchronous 2D homo-spectral NIR/NIR and IR/IR correlation spectra, respectively. Comparison results showed that the NPLS-DA model could provide better results using 2D hetero-spectral IR/NIR correlation spectra than using 2D homo-spectral NIR/NIR and 2D IR/IR correlation spectra.

  13. Rovibrational analysis of the ethylene isotopologue 13C2D4 by high-resolution Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Gabona, M. G.; Godfrey, Peter D.; McNaughton, Don

    2015-01-01

    The Fourier transform infrared (FTIR) spectrum of the unperturbed a-type ν12 band of 13C2D4 was recorded at an unapodized resolution of 0.0063 cm-1 between 1000 and 1140 cm-1 for a rovibrational analysis. By assigning and fitting a total of 2068 infrared transitions using a Watson's A-reduced and S-reduced Hamiltonians in the Ir representation, rovibrational constants for the upper state (ν12 = 1) up to five quartic centrifugal distortion terms were derived for the first time. The root-mean-square (rms) deviation of the fits was 0.00034 cm-1 both in the A-reduction and S-reduction Hamiltonian. The ground state rovibrational constants of 13C2D4 in the A-reduced and S-reduced Hamiltonians were also determined for the first time by a fit of 985 combination-differences from the present infrared measurements, with rms deviation of 0.00036 cm-1. The ν12 band centre of 13C2D4 was at 1069.970824(17) cm-1 and at 1069.970799(17) cm-1 for the A-reduced and S-reduced Hamiltonians respectively. The ground state constants of 13C2D4 from this experimental work are in close agreement to those derived from theoretical calculations using the B3LYP/cc-pVTZ, MP2/cc-pVTZ, and CSSD(T)/cc-pVTZ levels of theory.

  14. Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

    NASA Astrophysics Data System (ADS)

    Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

    How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

  15. Rapid discrimination of extracts of Chinese propolis and poplar buds by FT-IR and 2D IR correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Wen; Sun, Su-Qin; Zhao, Jing; Li, Yi; Zhou, Qun

    2008-07-01

    The extract of Chinese propolis (ECP) has recently been adulterated with that of poplar buds (EPB), because most of ECP is derived from the poplar plant, and ECP and EPB have almost identical chemical compositions. It is very difficult to differentiate them by using the chromatographic methods such as high performance liquid chromatography (HPLC) and gas chromatography (GC). Therefore, how to effectively discriminate these two mixtures is a problem to be solved urgently. In this paper, a rapid method for discriminating ECP and EPB was established by the Fourier transform infrared (FT-IR) spectra combined with the two-dimensional infrared correlation (2D IR) analysis. Forty-three ECP and five EPB samples collected from different areas of China were analyzed by the FT-IR spectroscopy. All the ECP and EPB samples tested show similar IR spectral profiles. The significant differences between ECP and EPB appear in the region of 3000-2800 cm -1 of the spectra. Based on such differences, the two species were successfully classified with the soft independent modeling of class analogy (SIMCA) pattern recognition technique. Furthermore, these differences were well validated by a series of temperature-dependent dynamic FT-IR spectra and the corresponding 2D IR plots. The results indicate that the differences in these two natural products are caused by the amounts of long-chain alkyl compounds (including long-chain alkanes, long-chain alkyl esters and long chain alkyl alcohols) in them, rather than the flavonoid compounds, generally recognized as the bioactive substances of propolis. There are much more long-chain alkyl compounds in ECP than those in EPB, and the carbon atoms of the compounds in ECP remain in an order Z-shaped array, but those in EPB are disorder. It suggests that FT-IR and 2D IR spectroscopy can provide a valuable method for the rapid differentiation of similar natural products, ECP and EPB. The IR spectra could directly reflect the integrated chemical

  16. A 2D correlation Raman spectroscopy analysis of a human cataractous lens

    NASA Astrophysics Data System (ADS)

    Sacharz, Julia; Wesełucha-Birczyńska, Aleksandra; Paluszkiewicz, Czesława; Chaniecki, Piotr; Błażewicz, Marta

    2016-11-01

    This work is a continuation of our study of a cataractous human eye lens removed after phacoemulsification surgery. There are clear differences in the lens colors that allowed for distinguishing two opaque phases in the obtained biological material: the white- and yellow-phase. The Raman spectroscopy and 2D correlation spectroscopy method were used to trace a pathologically altered human cataract lens at a molecular level. Although the Raman spectra of these two phases are relatively similar, taking advantage of 2D correlation, and considering time as an external perturbation, the synchronous and asynchronous spectra were obtained showing completely different patterns. Prominent synchronous auto-peaks appear at 3340, 2920, 1736, 1665 and 1083 cm-1 for the white-, and at 2929 and 1670 cm-1 for the yellow phase. The white phase is characterized by intensive asynchronous peaks at -(2936, 3360), -(1650, 1674) and +(1620,1678). The modifications in the water contained in the white phase structure are ahead of the changes in the protein (CH3-groups), furthermore changes in β-conformation are asynchronous with respect to the α-structure. The yellow phase demonstrates asynchronous peaks: +(2857, 2928), +(1645,1673), +(1663, 1679), and +(1672,1707). These illustrate concomitant modifications in the β- and unordered conformation. Both forms of cataractous human eye lens, white- and yellow-phases, are degenerate forms of the eye lens proteins, both are arranged in a different way. The main differences are observed for the amide I, methyl, methylene and Osbnd H vibrational band region. The effect of Asp, Glu and Tyr amino acids in cataractous lens transformations was observed.

  17. In-die photomask registration and overlay metrology with PROVE using 2D correlation methods

    NASA Astrophysics Data System (ADS)

    Seidel, D.; Arnz, M.; Beyer, D.

    2011-11-01

    According to the ITRS roadmap, semiconductor industry drives the 193nm lithography to its limits, using techniques like double exposure, double patterning, mask-source optimization and inverse lithography. For photomask metrology this translates to full in-die measurement capability for registration and critical dimension together with challenging specifications for repeatability and accuracy. Especially, overlay becomes more and more critical and must be ensured on every die. For this, Carl Zeiss SMS has developed the next generation photomask registration and overlay metrology tool PROVE® which serves the 32nm node and below and which is already well established in the market. PROVE® features highly stable hardware components for the stage and environmental control. To ensure in-die measurement capability, sophisticated image analysis methods based on 2D correlations have been developed. In this paper we demonstrate the in-die capability of PROVE® and present corresponding measurement results for shortterm and long-term measurements as well as the attainable accuracy for feature sizes down to 85nm using different illumination modes and mask types. Standard measurement methods based on threshold criteria are compared with the new 2D correlation methods to demonstrate the performance gain of the latter. In addition, mask-to-mask overlay results of typical box-in-frame structures down to 200nm feature size are presented. It is shown, that from overlay measurements a reproducibility budget can be derived that takes into account stage, image analysis and global effects like mask loading and environmental control. The parts of the budget are quantified from measurement results to identify critical error contributions and to focus on the corresponding improvement strategies.

  18. A fast moving object detection method based on 2D laser scanner and infrared camera

    NASA Astrophysics Data System (ADS)

    Zeng, Lina; Ding, Meng; Zhang, Tianci; Sun, Zejun

    2015-10-01

    Moving object detection is a major research direction of video surveillance systems. This paper proposes a novel approach for moving object detection by fusing information from the laser scanner and infrared camera. First, in accordance with the feature of laser scanner data, we apply robust principal component analysis (RPCA) to studying moving object detection. Then the depth and angle information of moving objects is mapped to the infrared image pixels so as to obtain the regions of interest (ROI). Finally, moving objects can be recognized by making investigation of the ROI. Experimental results show that this method has good real-time performance and accuracy.

  19. 2D versus 3D cross-correlation-based radial and circumferential strain estimation using multiplane 2D ultrafast ultrasound in a 3D atherosclerotic carotid artery model.

    PubMed

    Fekkes, Stein; Swillens, Abigail E S; Hansen, Hendrik H G; Saris, Anne E C M; Nillesen, Maartje M; Iannaccone, Francesco; Segers, Patrick; de Korte, Chris L

    2016-08-25

    Three-dimensional strain estimation might improve the detection and localization of high strain regions in the carotid artery for identification of vulnerable plaques. This study compares 2D vs. 3D displacement estimation in terms of radial and circumferential strain using simulated ultrasound images of a patient specific 3D atherosclerotic carotid artery model at the bifurcation embedded in surrounding tissue generated with ABAQUS software. Global longitudinal motion was superimposed to the model based on literature data. A Philips L11-3 linear array transducer was simulated which transmitted plane waves at 3 alternating angles at a pulse repetition rate of 10 kHz. Inter-frame radiofrequency ultrasound data were simulated in Field II for 191 equally spaced longitudinal positions of the internal carotid artery. Accumulated radial and circumferential displacements were estimated using tracking of the inter-frame displacements estimated by a two-step normalized cross-correlation method and displacement compounding. Least squares strain estimation was performed to determine accumulated radial and circumferential strain. The performance of the 2D and 3D method was compared by calculating the root-mean-squared error of the estimated strains with respect to the reference strains obtained from the model. More accurate strain images were obtained using the 3D displacement estimation for the entire cardiac cycle. The 3D technique clearly outperformed the 2D technique in phases with high inter-frame longitudinal motion. In fact the large inter-frame longitudinal motion rendered it impossible to accurately track the tissue and cumulate strains over the entire cardiac cycle with the 2D technique.

  20. 2-D Versus 3-D Cross-Correlation-Based Radial and Circumferential Strain Estimation Using Multiplane 2-D Ultrafast Ultrasound in a 3-D Atherosclerotic Carotid Artery Model.

    PubMed

    Fekkes, Stein; Swillens, Abigail E S; Hansen, Hendrik H G; Saris, Anne E C M; Nillesen, Maartje M; Iannaccone, Francesco; Segers, Patrick; de Korte, Chris L

    2016-10-01

    Three-dimensional (3-D) strain estimation might improve the detection and localization of high strain regions in the carotid artery (CA) for identification of vulnerable plaques. This paper compares 2-D versus 3-D displacement estimation in terms of radial and circumferential strain using simulated ultrasound (US) images of a patient-specific 3-D atherosclerotic CA model at the bifurcation embedded in surrounding tissue generated with ABAQUS software. Global longitudinal motion was superimposed to the model based on the literature data. A Philips L11-3 linear array transducer was simulated, which transmitted plane waves at three alternating angles at a pulse repetition rate of 10 kHz. Interframe (IF) radio-frequency US data were simulated in Field II for 191 equally spaced longitudinal positions of the internal CA. Accumulated radial and circumferential displacements were estimated using tracking of the IF displacements estimated by a two-step normalized cross-correlation method and displacement compounding. Least-squares strain estimation was performed to determine accumulated radial and circumferential strain. The performance of the 2-D and 3-D methods was compared by calculating the root-mean-squared error of the estimated strains with respect to the reference strains obtained from the model. More accurate strain images were obtained using the 3-D displacement estimation for the entire cardiac cycle. The 3-D technique clearly outperformed the 2-D technique in phases with high IF longitudinal motion. In fact, the large IF longitudinal motion rendered it impossible to accurately track the tissue and cumulate strains over the entire cardiac cycle with the 2-D technique.

  1. Determination of melamine of milk based on two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Yang, Ren-jie; Liu, Rong; Xu, Kexin

    2012-03-01

    The adulteration of milk with harmful substances is a threat to public health and beyond question a serious crime. In order to develop a rapid, cost-effective, high-throughput analysis method for detecting of adulterants in milk, the discriminative analysis of melamine is established in milk based on the two-dimensional (2D) correlation infrared spectroscopy in present paper. Pure milk samples and adulterated milk samples with different content of melamine were prepared. Then the Fourier Transform Infrared spectra of all samples were measured at room temperature. The characteristics of pure milk and adulterated milk were studied by one-dimensional spectra. The 2D NIR and 2D IR correlation spectroscopy were calculated under the perturbation of adulteration concentration. In the range from 1400 to 1800 cm-1, two strong autopeaks were aroused by melamine in milk at 1464 cm-1 and 1560 cm-1 in synchronous spectrum. At the same time, the 1560 cm-1 band does not share cross peak with the 1464 cm-1 band, which further confirm that the two bands have the same origin. Also in the range from 4200 to 4800 cm-1, the autopeak was shown at 4648 cm-1 in synchronous spectrum of melamine in milk. 2D NIR-IR hetero-spectral correlation analysis confirmed that the bands at 1464, 1560 and 4648 cm-1 had the same origin. The results demonstrated that the adulterant can be discriminated correctly by 2D correlation infrared spectroscopy.

  2. Band models and correlations for infrared radiation

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.

    1975-01-01

    Absorption of infrared radiation by various line and band models are briefly reviewed. Narrow band model relations for absorptance are used to develop 'exact' formulations for total absorption by four wide band models. Application of a wide band model to a particular gas largely depends upon the spectroscopic characteristic of the absorbing-emitting molecule. Seven continuous correlations for the absorption of a wide band model are presented and each one of these is compared with the exact (numerical) solutions of the wide band models. Comparison of these results indicate the validity of a correlation for a particular radiative transfer application. In radiative transfer analyses, use of continuous correlations for total band absorptance provides flexibilities in various mathematical operations.

  3. Volatility-dependent 2D IR correlation analysis of traditional Chinese medicine ‘Red Flower Oil’ preparation from different manufacturers

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Tao, Jia-Xun; Noda, Isao

    2008-06-01

    As a traditional Chinese medicine (TCM), 'Red Flower Oil' preparation is widely used as a household remedy in China and Southeast Asia. Usually, the preparation is a mixture of several plant essential oils with different volatile features, such as wintergreen oil, turpentine oil and clove oil. The proportions of these plant essential oils in 'Red Flower Oil' vary from different manufacturers. Thus, it is important to develop a simple and rapid evaluation method for quality assurance of the preparations. Fourier transform infrared (FT-IR) was applied and two-dimensional correlation infrared spectroscopy (2D IR) based on the volatile characteristic of samples was used to enhance the resolution of FT-IR spectra. 2D IR technique could, not only easily provide the composition and their volatile sequences in 'Red flower Oil' preparations, but also rapidly discriminate the subtle differences in products from different manufacturers. Therefore, FT-IR combined with volatility-dependent 2D IR correlation analysis provides a very fast and effective method for the quality control of essential oil mixtures in TCM.

  4. [Identification and analysis of genuine and false Flos Rosae Rugosae by FTIR and 2D correlation IR spectroscopy].

    PubMed

    Cai, Fang; Sun, Su-qin; Yan, Wen-rong; Niu, Shi-jie; Li, Xian-en

    2009-09-01

    The genuine and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora) were examined in terms of their differences by using Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation IR spectroscopy. The three species were shown very similar in FTIR spectra. The peak of 1318 cm(-1) of genuine Flos Rosae Rugosae is not obvious but this peak could be found sharp in Flos Rosae Chinensis and Flos Rosa multiflora. Generally, the second derivative IR spectrum can clearly enhance the spectral resolution. Flos Rosae Rugosae and Flos rosae Chinensis have aromatic compounds distinct fingerprint characteristics at 1 617 and 1 618 cm(-1), respectively. Nevertheless, FlosRosa multiflora has the peak at 1612 cm(-1). There is a discrepancy of 5 to 6 cm(-1). FlosRosa multiflora has glucide's distinct fingerprint characteristics at 1 044 cm(-1), but Flos Rosae Rugosae and Flos Rosae Chinensis don't. The second derivative infrared spectra indicated different fingerprint characteristics. Three of them showed aromatic compounds with autopeaks at 1620, 1560 and 1460 cm(-1). Flos Rosae Chinensis and Flos Rosa multiflora have the shoulder peak at 1660 cm(-1). In the range of 850-1250 cm(-1), three of them are distinct different, Flos Rosae Rugosae has the strongest autopeak, Flos Rosae Chinensis has the feeble autopeak and Flos Rosa multiflora has no autopeak at 1050 cm(-1). In third-step identification, the different contents of aromatic compounds and glucide in Flos Rosae Rugosae, Flos Rosae Chinensis and Flos Rosa multiflora were revealed. It is proved that the method is fast and effective for distinguishing and analyzing genuine Flos Rosae Rugosae and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora).

  5. 2D focal-field aberration dependence on time/phase screen position and correlation lengths

    NASA Astrophysics Data System (ADS)

    Näsholm, Sven Peter

    2004-05-01

    For high-frequency annular array transducers used in medical ultrasound imaging, aberrations due to tissue and body wall have a significant effect on energy transfer from the main lobe to the sidelobes of the acoustic field: that is, the aberrations make the total sidelobe level increase. This effect makes the ultrasound image poor when imaging heterogeneous organs. This study performs an analysis of the focal-field quality as a function of time/phase screen z position and time/phase screen correlation length. It establishes some rules of thumb which indicate when the focal-field sidelobe energy is at its highest. It also introduces a simple screen-scaling model which is useful as long as the screen position is not closer to the focus than a certain limit distance. The scaling model allows the real screen at a depth z=zscreen to be treated as a scaled screen at the position z=ztransd. 2D sound fields after 3D propagation from the annular arrays to the focal plane have been simulated using an angular spectrum method. The aberrators are represented by amplitude and phase/time screens.

  6. Spatial Correlation of Rain Drop Size Distribution from Polarimetric Radar and 2D-Video Disdrometers

    NASA Technical Reports Server (NTRS)

    Thurai, Merhala; Bringi, Viswanathan; Gatlin, Patrick N.; Wingo, Matt; Petersen, Walter Arthur; Carey, Lawrence D.

    2011-01-01

    Spatial correlations of two of the main rain drop-size distribution (DSD) parameters - namely the median-volume diameter (Do) and the normalized intercept parameter (Nw) - as well as rainfall rate (R) are determined from polarimetric radar measurements, with added information from 2D video disdrometer (2DVD) data. Two cases have been considered, (i) a widespread, long-duration rain event in Huntsville, Alabama, and (ii) an event with localized intense rain-cells within a convection line which occurred during the MC3E campaign. For the first case, data from a C-band polarimetric radar (ARMOR) were utilized, with two 2DVDs acting as ground-truth , both being located at the same site 15 km from the radar. The radar was operated in a special near-dwelling mode over the 2DVDs. In the second case, data from an S-band polarimetric radar (NPOL) data were utilized, with at least five 2DVDs located between 20 and 30 km from the radar. In both rain event cases, comparisons of Do, log10(Nw) and R were made between radar derived estimates and 2DVD-based measurements, and were found to be in good agreement, and in both cases, the radar data were subsequently used to determine the spatial correlations For the first case, the spatial decorrelation distance was found to be smallest for R (4.5 km), and largest fo Do (8.2 km). For log10(Nw) it was 7.2 km (Fig. 1). For the second case, the corresponding decorrelation distances were somewhat smaller but had a directional dependence. In Fig. 2, we show an example of Do comparisons between NPOL based estimates and 1-minute DSD based estimates from one of the five 2DVDs.

  7. Abnormal expression levels of sMICA and NKG2D are correlated with poor prognosis in pancreatic cancer

    PubMed Central

    Chen, Jiong; Xu, Hong; Zhu, Xing-Xing

    2016-01-01

    Soluble major histocompatibility complex class I-related chain A molecules (sMICA) and natural-killer group 2 member D (NKG2D) not only correlate with tumorigenesis and progression, but also with tumor invasion and metastasis. In this study, we used immunohistochemistry to investigate the correlation and prognostic significance of the differential expression of sMICA and NKG2D in pancreatic carcinoma and paracarcinoma tissues from 70 patients with pancreatic carcinomas. The results showed that sMICA expression was significantly (P<0.05) higher in tumor tissues (67.1%) than that in adjacent nontumor tissues (31.4%), whereas NKG2D expression was significantly (P<0.001) lower in tumor tissues (32.9%) than that in adjacent nontumor tissues (60.0%). Spearman’s rank correlation test showed a negative correlation between the expression of sMICA and that of NKG2D (r=−0.676, P<0.001). Kaplan–Meier survival analysis showed that a high sMICA expression was significantly correlated with decreased disease-free survival (DFS) (P<0.001) and overall survival (OS) (P<0.001), while a high NKG2D expression was significantly associated with increased DFS (P=0.001) and OS (P=0.001) of the patients. Multivariate analysis showed that a high sMICA expression was an independent predictive factor for poor DFS (P<0.001) and OS (P=0.012); but low NKG2D expression was not an independent prognostic factor for poor DFS (P=0.238) and OS (P=0.574). In conclusion, our findings suggest that the expression levels of sMICA and NKG2D are abnormal and negatively correlated with one another in pancreatic carcinoma tissues; they may be considered as valuable biomarkers for the prognosis of pancreatic carcinoma. PMID:26730197

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

    NASA Astrophysics Data System (ADS)

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

    2014-07-01

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

  9. Discrimination of different red wine by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

    2010-06-01

    Fourier-transform infrared spectroscopy (FT-IR) and two-dimensional infrared (2D IR) correlation spectroscopy were applied to analyze main components of liquid red wine with different sugar contents and volatilization residues of dry red wine from different manufactures. The infrared spectra, second derivative spectra of dry red wine show the typical peaks of alcohol, while the spectra of sweet wine are composed of the peaks of both alcohol and sugar, and the contribution of sugar enhanced as the increase of sugar content. Using principal component analysis (PCA) method, dry and sweet wine can be readily classified. Analysis of the infrared spectra of the volatilization residues of dry red wine samples from five different manufactures indicates that dry red wine may be composed of glycerol, carboxylic acids or esters and carboxyl ate, at the same time, different dry red wine show different characteristic peaks in the second derivative spectra and 2D IR correlation spectra, which can be used to discriminate the different manufactures and evaluate the quality of wine samples. The results suggested that infrared spectroscopy is a direct and effective method for the analysis of principle components of different red wines and discrimination of different red wines.

  10. Variable-temperature Fourier-transform infrared studies of poly(L-lactic acid) in different states of order: A 2DCOS and PCMW2D analysis

    NASA Astrophysics Data System (ADS)

    Zhang, Pudun; Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W.

    2016-11-01

    Variable-temperature Fourier-transform infrared (FT-IR) spectra of a predominantly amorphous and a semi-crystalline poly(L-lactic acid) (PLLA) film were measured between 30 °C and 170 °C in order to investigate their temperature-dependent structural changes as a function of the initial state of order. For an in-depth analysis of the spectral variations in the carbonyl stretching band region (1803-1722 cm-1) two-dimensional correlation spectroscopy (2DCOS) and perturbation-correlation moving-window two-dimensional (PCMW2D) analyses were applied. Significant spectral changes were observed during heating of the amorphous PLLA sample whereas the semi-crystalline specimen showed only slight band shifts as a function of the external perturbation. The PCMW2D results suggested that for efficient 2DCOS analyses the heating process should be split up in two temperature intervals. These analyses then provided information on the recrystallization of the amorphous regions, the presence of an intermediate state of order and a sequence scenario for the observed spectral changes.

  11. Enhancement of long-range correlations in a 2D vortex lattice by an incommensurate 1D disorder potential

    NASA Astrophysics Data System (ADS)

    Guillamon, I.; Vieira, S.; Suderow, H.; Cordoba, R.; Sese, J.; de Teresa, J. M.; Ibarra, R.

    In two dimensional (2D) systems, theory has proposed that random disorder destroys long range correlations driving a transition to a glassy state. Here, I will discuss new insights into this issue obtained through the direct visualization of the critical behaviour of a 2D superconducting vortex lattice formed in a thin film with a smooth 1D thickness modulation. Using scanning tunneling microscopy at 0.1K, we have tracked the modification in the 2D vortex arrangements induced by the 1D thickness modulation while increasing the vortex density by three orders of magnitude. Upon increasing the field, we observed a two-step order-disorder transition in the 2D vortex lattice mediated by the appearance of dislocations and disclinations and accompanied by an increase in the local vortex density fluctuations. Through a detailed analysis of correlation functions, we find that the transition is driven by the incommensurate 1D thickness modulation. We calculate the critical points and exponents and find that they are well above theoretical expectation for random disorder. Our results show that long range 1D correlations in random potentials enhance the stability range of the ordered phase in a 2D vortex lattice. Work supported by Spanish MINECO, CIG Marie Curie Grant, Axa Research Fund and FBBVA.

  12. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    SciTech Connect

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.

  13. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores.

    PubMed

    Burris, Paul C; Laage, Damien; Thompson, Ward H

    2016-05-21

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.

  14. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    DOE PAGES

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is usedmore » to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

  15. Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy

    PubMed Central

    Díaz-Visurraga, Judith; Daza, Carla; Pozo, Claudio; Becerra, Abraham; von Plessing, Carlos; García, Apolinaria

    2012-01-01

    Background The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs) and sodium alginate (NaAlg) by Fourier transform infrared spectroscopy (FT-IR) and to process the spectra applying two-dimensional infrared (2D-IR) correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1) the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2) structural changes related to the incorporation of Cu NPs into the polymer matrix. Methods Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM), electron diffraction analysis, X-ray diffraction (XRD), and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer’s formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC), FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to studying the stabilization mechanism of Cu NPs by NaAlg molecules. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of stabilized Cu NPs against five bacterial strains (Staphylococccus aureus ATCC 6538P, Escherichia coli ATCC 25922 and O157: H7, and Salmonella enterica serovar Typhimurium ATCC 13311 and 14028) were evaluated with macrodilution

  16. CC2D2A mutations in Meckel and Joubert syndromes indicate a genotype-phenotype correlation

    PubMed Central

    Mougou-Zerelli, Soumaya; Thomas, Sophie; Szenker, Emmanuelle; Audollent, Sophie; Elkhartoufi, Nadia; Babarit, Candice; Romano, Stéphane; Salomon, Rémi; Amiel, Jeanne; Esculpavit, Chantal; Gonzales, Marie; Escudier, Estelle; Leheup, Bruno; Loget, Philippe; Odent, Sylvie; Roume, Joëlle; Gérard, Marion; Delezoide, Anne-Lise; Khung, Suonavy; Patrier, Sophie; Cordier, Marie-Pierre; Bouvier, Raymonde; Martinovic, Jéléna; Gubler, Marie-Claire; Boddaert, Nathalie; Munnich, Arnold; Encha-Razavi, Férechté; Valente, Enza Maria; Saad, Ali; Saunier, Sophie; Vekemans, Michel; Attié-Bitach, Tania

    2009-01-01

    The Meckel syndrome (MKS) is a lethal fetal disorder characterized by diffuse renal cystic dysplasia, polydactyly, a brain malformation that is usually occipital encephalocele and/or vermian agenesis, with intrahepatic biliary duct proliferation. Joubert syndrome (JBS) is a viable neurological disorder with a characteristic “molar tooth sign” (MTS) on axial images reflecting cerebellar vermian hypoplasia/dysplasia. Both conditions are classified as ciliopathies with an autosomal recessive mode of inheritance. Allelism of MS and JBS has been reported for TMEM67/MKS3, CEP290/MKS4, and RPGRIP1L/MKS5. Recently, one homozygous splice mutation with a founder effect was reported in the CC2D2A gene in Finnish fetuses with MKS, defining the 6th locus for MKS. Shortly thereafter, CC2D2A mutations were reported in JBS also. The analysis of the CC2D2A gene in our series of MKS fetuses, identified 14 novel truncating mutations in 11 cases. These results confirm the involvement of CC2D2A in MKS and reveal a major contribution of CC2D2A to the disease. We also identified three missense CC2D2A mutations in two JBS cases. Therefore and in accordance with the data reported regarding RPGRIP1L, our results indicate phenotype-genotype correlations, as missense and presumably hypomorphic mutations lead to JBS while all null alleles lead to MKS. PMID:19777577

  17. Evaluation of different grades of ginseng using Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

    2010-06-01

    Ginseng is one of the most widely used herbal medicines which have many kinds of pharmaceutical values. The discrimination of grades of ginseng includes the cultivation types and the growth years herein. To evaluate the different grades of ginseng, the fibrous roots and rhizome roots of ginseng were analyzed by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy in this paper. The fibrous root and rhizome root of ginseng have different content of starch, calcium oxalate and other components. For the fibrous roots of ginseng, mountain cultivation ginseng (MCG), garden cultivation ginseng (GCG) and transplanted cultivation ginseng (TCG) have clear difference in the infrared spectra and second derivative spectra in the range of 1800-400 cm -1, and clearer difference was observed in the range of 1045-1160 and 1410-1730 cm -1 in 2D synchronous correlation spectra. Three kinds of ginseng can be clustered very well by using SIMCA analysis on the basis of PCA as well. For the rhizome roots, the content of calcium oxalate and starch change with growth years in the IR spectra, and some useful procedure can be obtained by the analysis of 2D IR synchronous spectra in the range of 1050-1415 cm -1. Also, ginsengs cultivated in different growth years were clustered perfectly by using SIMCA analysis. The results suggested that different grades of ginseng can be well recognized using the mid-infrared spectroscopy assisted by 2D IR correlation spectroscopy, which provide the macro-fingerprint characteristics of ginseng in different parts and supplied a rapid, effective approach for the evaluation of the quality of ginseng.

  18. Modulating the vibronic correlation in 2D superconductor by electric field

    NASA Astrophysics Data System (ADS)

    Kazempour, Ali; Morshedloo, Toktam

    2017-04-01

    Superconductivity in the extreme two-dimensional atomic layers has been suffered because of the strong affection dimensionality confinement on electron-phonon binding. Here, using first-principles method, we study the effect of applied perpendicular and parallel electric field on the strength of phonon renormalization and electron-phonon coupling in bi-layer MgB2 as a known 2D superconductor. The changes of phonon frequency and line-width demonstrate that important E2 g optical modes are strongly sensitive to the applied parallel electric field which directs to sharp reduction of vibronic coupling. Whereas, we show that perpendicular electric field modulates the system to the strong-coupling superconductor and predict the enhancement of critical temperature Tc . Our study opens up the use of electric filed to probe and measure the variation amount of electron-phonon renormalization as a gauge in 2D superconductivity.

  19. 2D correlation analysis of the magnetic excitations in Raman spectra of HoMnO3

    NASA Astrophysics Data System (ADS)

    Nguyen, Thi Huyen; Nguyen, Thi Minh Hien; Chen, Xiang-Bai; Yang, In-Sang; Park, Yeonju; Jung, Young Mee

    2014-07-01

    2D correlation analysis is performed on the temperature-dependent Raman spectra of HoMnO3 thin films. As the temperature of the HoMnO3 thin films decrease, the depletion of the spectral weight at 336, 656, and 1304 cm-1 occurs at higher temperatures than the increase of the intensity at 508, 766, and 945 cm-1 below ∼70 K, the Néel temperature. The power spectrum asserts that all the changes in the spectral weight are strongly correlated. Most of the temperature-induced spectral changes of HoMnO3 occur at lower temperature than 70 K, while there is slight depletion of the spectral weight at 336, 656, and 1304 cm-1 even at higher temperature than 70 K. PCA scores and loading vectors plots also support these 2D correlation results. Our 2D correlation analysis supports the existence of the short range spin correlations between Mn sites in HoMnO3 even above the Néel temperature.

  20. An algorithm to correct 2D near-infrared fluorescence signals using 3D intravascular ultrasound architectural information

    NASA Astrophysics Data System (ADS)

    Mallas, Georgios; Brooks, Dana H.; Rosenthal, Amir; Vinegoni, Claudio; Calfon, Marcella A.; Razansky, R. Nika; Jaffer, Farouc A.; Ntziachristos, Vasilis

    2011-03-01

    Intravascular Near-Infrared Fluorescence (NIRF) imaging is a promising imaging modality to image vessel biology and high-risk plaques in vivo. We have developed a NIRF fiber optic catheter and have presented the ability to image atherosclerotic plaques in vivo, using appropriate NIR fluorescent probes. Our catheter consists of a 100/140 μm core/clad diameter housed in polyethylene tubing, emitting NIR laser light at a 90 degree angle compared to the fiber's axis. The system utilizes a rotational and a translational motor for true 2D imaging and operates in conjunction with a coaxial intravascular ultrasound (IVUS) device. IVUS datasets provide 3D images of the internal structure of arteries and are used in our system for anatomical mapping. Using the IVUS images, we are building an accurate hybrid fluorescence-IVUS data inversion scheme that takes into account photon propagation through the blood filled lumen. This hybrid imaging approach can then correct for the non-linear dependence of light intensity on the distance of the fluorescence region from the fiber tip, leading to quantitative imaging. The experimental and algorithmic developments will be presented and the effectiveness of the algorithm showcased with experimental results in both saline and blood-like preparations. The combined structural and molecular information obtained from these two imaging modalities are positioned to enable the accurate diagnosis of biologically high-risk atherosclerotic plaques in the coronary arteries that are responsible for heart attacks.

  1. Noise reduction methods applied to two-dimensional correlation spectroscopy (2D-COS) reveal complementary benefits of pre- and post-treatment.

    PubMed

    Foist, Rod B; Schulze, H Georg; Ivanov, Andre; Turner, Robin F B

    2011-05-01

    Two-dimensional correlation spectroscopy (2D-COS) is a powerful spectral analysis technique widely used in many fields of spectroscopy because it can reveal spectral information in complex systems that is not readily evident in the original spectral data alone. However, noise may severely distort the information and thus limit the technique's usefulness. Consequently, noise reduction is often performed before implementing 2D-COS. In general, this is implemented using one-dimensional (1D) methods applied to the individual input spectra, but, because 2D-COS is based on sets of successive spectra and produces 2D outputs, there is also scope for the utilization of 2D noise-reduction methods. Furthermore, 2D noise reduction can be applied either to the original set of spectra before performing 2D-COS ("pretreatment") or on the 2D-COS output ("post-treatment"). Very little work has been done on post-treatment; hence, the relative advantages of these two approaches are unclear. In this work we compare the noise-reduction performance on 2D-COS of pretreatment and post-treatment using 1D (wavelets) and 2D algorithms (wavelets, matrix maximum entropy). The 2D methods generally outperformed the 1D method in pretreatment noise reduction. 2D post-treatment in some cases was superior to pretreatment and, unexpectedly, also provided correlation coefficient maps that were similar to 2D correlation spectroscopy maps but with apparent better contrast.

  2. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect

    Chai, Feng; Chen, YiPing; You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)₃]₃[CoW₁₂O₄₀]·9H₂O 1 (phen=1,10-phenanthroline) and [Fe(phen)₃]₂[FeW₁₂O₄₀]·H₃O·H₂O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UV–DRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)₃]²⁺ cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 0–50 mT in the range of 600–1000 cm⁻¹, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: • Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. • Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. • Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  3. In vivo 1D and 2D correlation MR spectroscopy of the soleus muscle at 7T

    NASA Astrophysics Data System (ADS)

    Ramadan, Saadallah; Ratai, Eva-Maria; Wald, Lawrence L.; Mountford, Carolyn E.

    2010-05-01

    AimThis study aims to (1) undertake and analyse 1D and 2D MR correlation spectroscopy from human soleus muscle in vivo at 7T, and (2) determine T1 and T2 relaxation time constants at 7T field strength due to their importance in sequence design and spectral quantitation. MethodSix healthy, male volunteers were consented and scanned on a 7T whole-body scanner (Siemens AG, Erlangen, Germany). Experiments were undertaken using a 28 cm diameter detunable birdcage coil for signal excitation and an 8.5 cm diameter surface coil for signal reception. The relaxation time constants, T1 and T2 were recorded using a STEAM sequence, using the 'progressive saturation' method for the T1 and multiple echo times for T2. The 2D L-Correlated SpectroscopY (L-COSY) method was employed with 64 increments (0.4 ms increment size) and eight averages per scan, with a total time of 17 min. ResultsT1 and T2 values for the metabolites of interest were determined. The L-COSY spectra obtained from the soleus muscle provided information on lipid content and chemical structure not available, in vivo, at lower field strengths. All molecular fragments within multiple lipid compartments were chemically shifted by 0.20-0.26 ppm at this field strength. 1D and 2D L-COSY spectra were assigned and proton connectivities were confirmed with the 2D method. ConclusionIn vivo 1D and 2D spectroscopic examination of muscle can be successfully recorded at 7T and is now available to assess lipid alterations as well as other metabolites present with disease. T1 and T2 values were also determined in soleus muscle of male healthy volunteers.

  4. Frustrating a correlated superconductor: the 2D Attractive Hubbard Model in an external magnetic field

    NASA Astrophysics Data System (ADS)

    Zhao, Hongbo; Engelbrecht, Jan R.

    2000-03-01

    At the Mean Field level (G. Murthy and R. Shankar, J. Phys. Condens. Matter, 7) (1995), the frustration due to an external field first makes the uniform BCS ground state unstable to an incommensurate (qne0) superconducting state and then to a spin-polarized Fermi Liquid state. Our interest is how fluctuations modify this picture, as well as the normal state of this system which has a quantum critical point. We use the Fluctuation-Exchange Approximation for the 2D Attractive Hubbard Model, to study this system beyond the Mean-Field level. Earlier work in zero field has shown that this numerical method successfully captures the critical scaling of the KT superconducting transition upon cooling in the normal state. Here we investigate how the pair-breaking external field modifies this picture, and the development of incommensurate pairing.

  5. Experimental determination of the correlation properties of plasma turbulence using 2D BES systems

    NASA Astrophysics Data System (ADS)

    Fox, M. F. J.; Field, A. R.; van Wyk, F.; Ghim, Y.-c.; Schekochihin, A. A.; the MAST Team

    2017-04-01

    A procedure is presented to map from the spatial correlation parameters of a turbulent density field (the radial and binormal correlation lengths and wavenumbers, and the fluctuation amplitude) to correlation parameters that would be measured by a beam emission spectroscopy (BES) diagnostic. The inverse mapping is also derived, which results in resolution criteria for recovering correct correlation parameters, depending on the spatial response of the instrument quantified in terms of point-spread functions (PSFs). Thus, a procedure is presented that allows for a systematic comparison between theoretical predictions and experimental observations. This procedure is illustrated using the Mega-Ampere Spherical Tokamak BES system and the validity of the underlying assumptions is tested on fluctuating density fields generated by direct numerical simulations using the gyrokinetic code GS2. The measurement of the correlation time, by means of the cross-correlation time-delay method, is also investigated and is shown to be sensitive to the fluctuating radial component of velocity, as well as to small variations in the spatial properties of the PSFs.

  6. Superconducting correlations and thermodynamic properties in 2D square and triangular t-J model

    NASA Astrophysics Data System (ADS)

    Ogata, Masao

    2006-03-01

    Equal-time superconducting correlation functions of the two-dimensional t-J model on the square lattice are studied using high-temperature expansion method.[1] The sum of the pairing correlation, its spatial dependence and correlation length are obtained down to T ˜0.2t. By comparison of single-particle contributions in the correlation functions, we find effective attractive interactions between quasi-particles in dx^2-y^2-wave channel. It is shown that d-wave correlation grows rapidly at low temperatures for the doping 0.1 < δ< 0.5. The temperature for this growth is roughly scaled by J/2. This is in sharp contrast to the Hubbard model in a weak or intermediate coupling region, where there are few numerical evidences of superconductivity. We also study the possible d- and f-wave pairing in the triangular t-J model.[2] When t>0 with hole doping, a rapid growth of effective d-wave paring interaction is found that indicates the resonating-valence-bond superconductivity. In contrast, when t<0, where the ferromagnetic- and antiferromagnetic correlation compete, correlation lengths of the f-wave triplet paring tends to diverge around δ=0.6, although its effective interaction is small. This result is compared and discussed with the recently discovered superconductor, NaxCoO2.yH2O, where Co atoms form a triangular lattice. Specific heat in low temperatures are also obtained in the high-temperature expansion method. We will discuss that the doping dependence of the specific heat coefficient, γ, agrees with experimental data. [1] T. Koretsune and M. Ogata, J. Phys. Soc. Japan 74, 1390 (2005). [2] T. Koretsune and M. Ogata, Phys. Rev. Lett. 89, 116401 (2002), and Phys. Rev. B72, 134513 (2005).

  7. Anisotropic Power Law Strain Correlations in Sheared Amorphous 2D Solids

    SciTech Connect

    Maloney, C. E.; Robbins, M. O.

    2009-06-05

    The local deformation of steadily sheared two-dimensional Lennard-Jones glasses is studied via computer simulations at zero temperature. In the quasistatic limit, spatial correlations in the incremental strain field are highly anisotropic. The data show power law behavior with a strong angular dependence of the scaling exponent, and the strongest correlations along the directions of maximal shear stress. These results support the notion that the jamming transition at the onset of flow is critical, but suggest unusual critical behavior. The predicted behavior is testable through experiments on sheared amorphous materials such as bubble rafts, foams, emulsions, granular packings, and other systems where particle displacements can be tracked.

  8. Multielectron Correlation in High-Harmonic Generation: A 2D Model Analysis

    SciTech Connect

    Sukiasyan, Suren; McDonald, Chris; Destefani, Carlos; Brabec, Thomas; Ivanov, Misha Yu.

    2009-06-05

    We analyze the role of multielectron dynamics in high-harmonic generation spectroscopy, using an example of a two-electron system. We identify and systematically quantify the importance of correlation and exchange effects. One of the main sources for correlation is identified to be the polarization of the ion by the recombining continuum electron. This effect, which plays an important qualitative and quantitative role, seriously undermines the validity of the standard approaches to high-harmonic generation, which ignore the contribution of excited ionic states to the radiative recombination of the continuum electron.

  9. FT-Raman study of cinchonine aqueous solutions with varying pH; 2D correlation method

    NASA Astrophysics Data System (ADS)

    Wesetucha-Birczyńska, Aleksandra

    1999-05-01

    Cinchonine (C 19H 22N 2O) is one of the Cinchona tree alkaloids. It consists of two moieties, a quinoline ring and quinuclidine linked by a hydroxymethylene bridge. Each one of these parts contains nitrogen atoms, which are proton acceptor and cause that cinchonine can be treated as a weak base. For the first time the protonation effect was evidenced in the RR spectra of cinchonine while interacting with DNA (A. Wesetucha-Birczyńska and K. Nakamoto, J. Raman Spectrosc. 27 (1996) 915). In the current study 2D correlation method was applied to analyze the FT-Raman spectra of cin aqueous solutions with varying pH, which was regarded as external perturbation in the 1300-1700 cm -1 range, which is quinuclidine and quinoline ring stretching vibration region. These monitored fluctuations transformed into 2D spectra allows to analyze these vibrations and differentiate them.

  10. A Comparison of 1D and 2D (Unbiased) Experimental Methods for Measuring CSAsolarDD Cross-Correlated Relaxation

    NASA Astrophysics Data System (ADS)

    Batta, Gy.; Kövér, K. E.; Kowalewski, J.

    1999-01-01

    Conventional and enhanced 1D experiments and different NOESY experiments (the 2D unbiased method) were performed for measuring CSA/DD cross-correlated relaxation on trehalose, a compound which could be approximated as a spherical top, and on simple model compounds comprisingC3vsymmetry (CHCl3, triphenylsilane (TPSi)). The comparison gives experimental evidence for the equivalence of the methods within the limits of the two-spin approach. 1D data are evaluated with both the simple initial rate and the Redfield relaxation matrix approach. The 2D data are obtained from the so-called transfer matrix using the Perrin-Gipe eigenvalue/eigenvector method. For the improved performance of the 2D method, anX-filtered (HHH) NOESY is suggested at the natural abundance of13C (or other dilute, low γ species). Also, experimental parameters crucial for reliable CSA data are tested (e.g., the impact of insufficient relaxation delay). Error estimation is carried out for fair comparison of methods. Revised liquid state1H and13C (29Si) CSA data are presented for chloroform and TPSi.

  11. Study of the equilibrium vacancy ensemble in aluminum using 1D- and 2D-angular correlation of annihilation radiation

    SciTech Connect

    Fluss, M.J.; Berko, S.; Chakraborty, B.; Hoffmann, K.R.; Lippel, P.; Siegel, R.W.

    1985-03-12

    One- and two-dimensional angular correlation of positron-electron annihilation radiation (1D and 2D-ACAR) data have been obtained between 293 and 903 K for single crystals of aluminum. The peak counting rates vs temperature, which were measured using the 1D-ACAR technique, provide a model independent value for the temperature dependence of the positron trapping probability. Using these results it is possible to strip out the Bloch state contribution from the observed 2D-ACAR surfaces and then compare the resulting defect ACAR surfaces to calculated 2D-ACAR surfaces for positrons annihilating from the Bloch, monovacancy, and divacancy-trapped states. The result of this comparison is that the presence of an increasing equilibrium divacancy population is consistent with the observed temperature dependence of ACAR data at high temperature in Al and that the present results when compared to earlier studies on Al indicate that the ratio of the trapping rates at divacancies and monovacancies is of order two.

  12. Near-infrared branding efficiently correlates light and electron microscopy.

    PubMed

    Bishop, Derron; Nikić, Ivana; Brinkoetter, Mary; Knecht, Sharmon; Potz, Stephanie; Kerschensteiner, Martin; Misgeld, Thomas

    2011-06-05

    The correlation of light and electron microscopy of complex tissues remains a major challenge. Here we report near-infrared branding (NIRB), which facilitates such correlation by using a pulsed, near-infrared laser to create defined fiducial marks in three dimensions in fixed tissue. As these marks are fluorescent and can be photo-oxidized to generate electron contrast, they can guide re-identification of previously imaged structures as small as dendritic spines by electron microscopy.

  13. Synthesis, structure and temperature-depended 2D IR correlation spectroscopy of an organo-bismuth benzoate with 1,10-phenanthroline

    NASA Astrophysics Data System (ADS)

    Sun, Yan-Qiong; Zhong, Jie-Cen; Liu, Le-Hui; Qiu, Xing-Tai; Chen, Yi-Ping

    2016-11-01

    An organo-bismuth benzoate with phen as auxiliary ligand, [Bi(phen)(C6H5COO)(C6H4COO)] (1) (phen = 1,10-phenanthroline) has been hydrothermally synthesized from bismuth nitrate, 2-mercaptonbenzoic acid with phen as auxiliary ligand and characterized by single-crystal X-ray diffraction, elemental analyses, PXRD, IR spectra, TG analyses, temperature-depended 2D-IR COS (two-dimensional infrared correlation spectroscopy). Interestingly, benzoate anions in 1 came from the desulfuration reaction of 2-mercaptonbenzoic acid under hydrothermal condition. Compound 1 is a discrete organo-bismuth compound with benzoate and phen ligands. The offset face-to-face π-π stacking interactions and C-H⋯O hydrogen bonds link the isolate complex into a 3D supramolecular network. The temperature-depended 2D-IR COS indicates that the stretching vibrations of Cdbnd C/Cdbnd N of aromatic rings and Cdbnd O bonds are sensitive to the temperature change.

  14. Impact of lens distortions on strain measurements obtained with 2D digital image correlation

    NASA Astrophysics Data System (ADS)

    Lava, P.; Van Paepegem, W.; Coppieters, S.; De Baere, I.; Wang, Y.; Debruyne, D.

    2013-05-01

    The determination of strain fields based on displacements obtained via digital image correlation (DIC) at the micro-strain level (≤1000 μm/m) is still a cumbersome task. In particular when high-strain gradients are involved, e.g. in composite materials with multidirectional fibre reinforcement, uncertainties in the experimental setup and errors in the derivation of the displacement fields can substantially hamper the strain identification process. In this contribution, the aim is to investigate the impact of lens distortions on strain measurements. To this purpose, we first perform pure rigid body motion experiments, revealing the importance of precise correction of lens distortions. Next, a uni-axial tensile test on a textile composite with spatially varying high strain gradients is performed, resulting in very accurately determined strains along the fibers of the material.

  15. Experimental validation of 2D uncertainty quantification for digital image correlation.

    SciTech Connect

    Reu, Phillip L.

    2010-03-01

    Because digital image correlation (DIC) has become such an important and standard tool in the toolbox of experimental mechanicists, a complete uncertainty quantification of the method is needed. It should be remembered that each DIC setup and series of images will have a unique uncertainty based on the calibration quality and the image and speckle quality of the analyzed images. Any pretest work done with a calibrated DIC stereo-rig to quantify the errors using known shapes and translations, while useful, do not necessarily reveal the uncertainty of a later test. This is particularly true with high-speed applications where actual test images are often less than ideal. Work has previously been completed on the mathematical underpinnings of DIC uncertainty quantification and is already published, this paper will present corresponding experimental work used to check the validity of the uncertainty equations.

  16. Importance of the Correlation between Width and Length in the Shape Analysis of Nanorods: Use of a 2D Size Plot To Probe Such a Correlation.

    PubMed

    Zhao, Zhihua; Zheng, Zhiqin; Roux, Clément; Delmas, Céline; Marty, Jean-Daniel; Kahn, Myrtil L; Mingotaud, Christophe

    2016-08-22

    Analysis of nanoparticle size through a simple 2D plot is proposed in order to extract the correlation between length and width in a collection or a mixture of anisotropic particles. Compared to the usual statistics on the length associated with a second and independent statistical analysis of the width, this simple plot easily points out the various types of nanoparticles and their (an)isotropy. For each class of nano-objects, the relationship between width and length (i.e., the strong or weak correlations between these two parameters) may suggest information concerning the nucleation/growth processes. It allows one to follow the effect on the shape and size distribution of physical or chemical processes such as simple ripening. Various electron microscopy pictures from the literature or from the authors' own syntheses are used as examples to demonstrate the efficiency and simplicity of the proposed 2D plot combined with a multivariate analysis.

  17. Two-dimensional (2D) Chemiluminescence (CL) correlation spectroscopy for studying thermal oxidation of isotactic polypropylene (iPP)

    NASA Astrophysics Data System (ADS)

    Shinzawa, Hideyuki; Hagihara, Hideaki; Suda, Hiroyuki; Mizukado, Jyunji

    2016-11-01

    Application of the two-dimensional (2D) correlation spectroscopy is extended to Chemiluminescence (CL) spectra of isotactic polypropylene (iPP) under thermally induced oxidation. Upon heating, the polymer chains of the iPP undergoes scissoring and fragmentation to develop several intermediates. While different chemical species provides the emission at different wavelength regions, entire feature of the time-dependent CL spectra of the iPP samples were complicated by the presence of overlapped contributions from singlet oxygen (1O2) and carbonyl species within sample. 2D correlation spectra showed notable enhancement of the spectral resolution to provide penetrating insight into the thermodynamics of the polymer system. For example, the, oxidation induce scissoring and fragmentation of the polymer chains to develop the carbonyl group. Further reaction results in the consumption of the carbonyl species and subsequent production of different 1O2 species each developed in different manner. Consequently, key information on the thermal oxidation can be extracted in a surprisingly simple manner without any analytical expression for the actual response curves of spectral intensity signals during the reaction.

  18. Two-dimensional heterospectral correlation analysis of water and liquid oleic acid using an online near-infrared/mid-infrared dual-region spectrometer.

    PubMed

    Genkawa, Takuma; Watari, Masahiro; Nishii, Takashi; Suzuki, Masao; Ozaki, Yukihiro

    2013-07-01

    Two-dimensional (2D) near-infrared (NIR) and mid-infrared (mid-IR) heterospectral correlation analyses were used to characterize temperature-dependent spectral variations of water and liquid oleic acid (OA), utilizing a dataset obtained with an online NIR/mid-IR dual-region spectrometer. The spectrometer facilitated sequential acquisition of both NIR (10 000-4000 cm(-1)) and mid-IR (5000-1200 cm(-1)) spectra, which compose the spectral dataset required for 2D NIR/mid-IR heterospectral correlation analysis. Both NIR and mid-IR spectra were obtained under the same conditions by using the same sample compartment, more quickly and easily than is possible when using existing spectrometers. Successful 2D NIR/mid-IR correlation analysis was performed with the data collected with this instrument to characterize the temperature dependence of the molecular structures of water and pure liquid OA. Temperature-induced NIR/mid-IR spectral changes for water and OA were analyzed in detail, and band assignments in the NIR and mid-IR regions were elucidated by 2D NIR/mid-IR heterospectral correlation analysis. The results of this study indicate that liquid water consists of two major species, strongly hydrogen-bonded species and weakly hydrogen-bonded species, as well as one minor species. Additionally, OA was found to form an intermolecularly hydrogen-bonded species in which a single hydrogen bond of the dimer was broken; a mid-IR band at 1724 cm(-1) was assigned to this species. Moreover, 2D NIR/mid-IR heterospectral correlation analysis revealed that NIR bands at 4690 and 4644 cm(-1) also arose from intermolecularly hydrogen-bonded species. These results demonstrate that 2D NIR/mid-IR heterospectral correlation analysis is useful not only for NIR band assignments, but also for molecular structure studies. The spectrometer we developed makes this analysis even more accessible.

  19. The Coriolis-interacting ν6 and ν4 bands of ethylene-cis-1,2-d2 (cis-C2H2D2) by high-resolution synchrotron Fourier transform infrared (FTIR) spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Gabona, M. G.; Wong, Andy; Appadoo, Dominique R. T.; McNaughton, Don

    2016-11-01

    The infrared spectrum of the ν6 band of ethylene-cis-1,2-d2 (cis-C2H2D2) was recorded at the Australian Synchrotron in the 980-1100 cm-1 region at an unapodized resolution of 0.00096 cm-1. Some of the transitions of the ν6 band centered at 1039.768335(30) cm-1 were perturbed by the upper energy levels of the infrared inactive ν4 band at 980.364(24) cm-1 by an a-type Coriolis interaction. Rovibrational analysis of a total of 941 unperturbed and perturbed infrared transitions of the ν6 band was carried out using an asymmetric rotor fitting program based on the Watson's A-reduced Hamiltonian in the Ir representation to derive up to 2 sextic constants for the ν6 = 1 state and 3 rotational constants (A, B, and C) for the ν4 = 1 state with a rms deviation of 0.00028 cm-1. From the perturbed analysis, the a-type Coriolis resonance parameter Z6,4a for the ν6 and ν4 interacting bands was determined to be 0.5249(14) cm-1. The band center and the rotational constants of the ν6 = 1 state were found to agree within 1% to the calculated values using B3LYP/cc-pVTZ and MP2/cc-pVTZ levels of theory. Furthermore, the a-type Coriolis coupling constant of these two bands derived from this work were compared to those experimentally determined previously and presently calculated.

  20. SU-E-T-422: Correlation Between 2D Passing Rates and 3D Dose Differences for Pretreatment VMAT QA

    SciTech Connect

    Jin, X; Xie, C

    2014-06-01

    Purpose: Volumetric modulated arc therapy (VMAT) quality assurance (QA) is typically using QA methods and action levels taken from fixedbeam intensity-modulated radiotherapy (IMRT) QA methods. However, recent studies demonstrated that there is no correlation between the percent gamma passing rate (%GP) and the magnitude of dose discrepancy between the planned dose and the actual delivered dose for IMRT. The purpose of this study is to investigate whether %GP is correlated with clinical dosimetric difference for VMAT. Methods: Twenty nasopharyngeal cancer (NPC) patients treated with dual-arc simultaneous integrated boost VMAT and 20 esophageal cancer patients treated with one-arc VMAT were enrolled in this study. Pretreatment VMAT QA was performed by a 3D diode array ArcCheck. Acceptance criteria of 2%/2mm, 3%/3mm, and 4%/4mm were applied for 2D %GP. Dose values below 10% of the per-measured normalization maximum dose were ignored.Mean DVH values obtained from 3DVH software and TPS were calculated and percentage dose differences were calculated. Statistical correlation between %GP and percent dose difference was studied by using Pearson correlation. Results: The %GP for criteria 2%/2mm, 3%/3mm, and 4%/4mm were 82.33±4.45, 93.47±2.31, 97.13±2.41, respectively. Dose differences calculated from 3DVH and TPS for beam isocenter, mean dose of PTV, maximum dose of PTV, D2 of PTV and D98 of PTV were -1.04±3.24, -0.74±1.71, 2.92±3.62, 0.89±3.29, -1.46±1.97, respectively. No correction were found between %GP and dose differences. Conclusion: There are weak correlations between the 2D %GP and dose differences calculated from 3DVH. The %GP acceptance criteria of 3%/3mm usually applied for pretreatment QA of IMRT and VMAT is not indicating strong clinical correlation with 3D dose difference. 3D dose reconstructions on patient anatomy may be necessary for physicist to predict the accuracy of delivered dose for VMAT QA.

  1. Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies

    SciTech Connect

    Lei Ran; Chai Xiaochuan; Mei Hongxin; Zhang Hanhui; Chen Yiping; Sun Yanqiong

    2010-07-15

    Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H{sub 2}L{sup 1}(HL{sup 1}){sub 2}(H{sub 2}O){sub 2}].2H{sub 2}O 1, [Ni{sub 2}(4,4'-bipy)(L{sup 2})(OH)(H{sub 2}O){sub 2}].3H{sub 2}O 2, Mn(phen){sub 2}(H{sub 2}L{sup 1}){sub 2}3 and Mn(phen)(HL{sup 2}) 4 (H{sub 3}L{sup 1}=p-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, H{sub 3}L{sup 2}=m-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni{sub 4} cluster units are connected by pairs of H{sub 3}L{sup 2} ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R{sub 2}{sup 2}(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H{sub 3}L{sup 2} ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H{sub 3}L{sup 1} and H{sub 3}L{sup 2} ligands in the compounds more efficiently. - Graphical abstract: A series of divalent transition metal carboxyarylphosphonate compounds were synthesized under hydrothermal conditions. The figure displays 2D sheet structure with large windows in compound 2.

  2. Robust initialization of 2D-3D image registration using the projection-slice theorem and phase correlation

    SciTech Connect

    Bom, M. J. van der; Bartels, L. W.; Gounis, M. J.; Homan, R.; Timmer, J.; Viergever, M. A.; Pluim, J. P. W.

    2010-04-15

    Purpose: The image registration literature comprises many methods for 2D-3D registration for which accuracy has been established in a variety of applications. However, clinical application is limited by a small capture range. Initial offsets outside the capture range of a registration method will not converge to a successful registration. Previously reported capture ranges, defined as the 95% success range, are in the order of 4-11 mm mean target registration error. In this article, a relatively computationally inexpensive and robust estimation method is proposed with the objective to enlarge the capture range. Methods: The method uses the projection-slice theorem in combination with phase correlation in order to estimate the transform parameters, which provides an initialization of the subsequent registration procedure. Results: The feasibility of the method was evaluated by experiments using digitally reconstructed radiographs generated from in vivo 3D-RX data. With these experiments it was shown that the projection-slice theorem provides successful estimates of the rotational transform parameters for perspective projections and in case of translational offsets. The method was further tested on ex vivo ovine x-ray data. In 95% of the cases, the method yielded successful estimates for initial mean target registration errors up to 19.5 mm. Finally, the method was evaluated as an initialization method for an intensity-based 2D-3D registration method. The uninitialized and initialized registration experiments had success rates of 28.8% and 68.6%, respectively. Conclusions: The authors have shown that the initialization method based on the projection-slice theorem and phase correlation yields adequate initializations for existing registration methods, thereby substantially enlarging the capture range of these methods.

  3. Monitoring guanidinium-induced structural changes in ribonuclease proteins using Raman spectroscopy and 2D correlation analysis.

    PubMed

    Brewster, Victoria L; Ashton, Lorna; Goodacre, Royston

    2013-04-02

    Assessing the stability of proteins by comparing their unfolding profiles is a very important characterization and quality control step for any biopharmaceutical, and this is usually measured by fluorescence spectroscopy. In this paper we propose Raman spectroscopy as a rapid, noninvasive alternative analytical method and we shall show this has enhanced sensitivity and can therefore reveal very subtle protein conformational changes that are not observed with fluorescence measurements. Raman spectroscopy is a powerful nondestructive method that has a strong history of applications in protein characterization. In this work we describe how Raman microscopy can be used as a fast and reliable method of tracking protein unfolding in the presence of a chemical denaturant. We have compared Raman spectroscopic data to the equivalent samples analyzed using fluorescence spectroscopy in order to validate the Raman approach. Calculations from both Raman and fluorescence unfolding curves of [D]50 values and Gibbs free energy correlate well with each other and more importantly agree with the values found in the literature for these proteins. In addition, 2D correlation analysis has been performed on both Raman and fluorescence data sets in order to allow further comparisons of the unfolding behavior indicated by each method. As many biopharmaceuticals are glycosylated in order to be functional, we compare the unfolding profiles of a protein (RNase A) and a glycoprotein (RNase B) as measured by Raman spectroscopy and discuss the implications that glycosylation has on the stability of the protein.

  4. Determination of size and sign of hetero-nuclear coupling constants from 2D 19F-13C correlation spectra

    NASA Astrophysics Data System (ADS)

    Ampt, Kirsten A. M.; Aspers, Ruud L. E. G.; Dvortsak, Peter; van der Werf, Ramon M.; Wijmenga, Sybren S.; Jaeger, Martin

    2012-02-01

    Fluorinated organic compounds have become increasingly important within the polymer and the pharmaceutical industry as well as for clinical applications. For the structural elucidation of such compounds, NMR experiments with fluorine detection are of great value due to the favorable NMR properties of the fluorine nucleus. For the investigation of three fluorinated compounds, triple resonance 2D HSQC and HMBC experiments were adopted to fluorine detection with carbon and/or proton decoupling to yield F-C, F-C{H}, F-C{Cacq} and F-C{H,Cacq} variants. Analysis of E.COSY type cross-peak patterns in the F-C correlation spectra led, apart from the chemical shift assignments, to determination of size and signs of the JCH, JCF, and JHF coupling constants. In addition, the fully coupled F-C HMQC spectrum of steroid 1 was interpreted in terms of E.COSY type patterns. This example shows how coupling constants due to different nuclei can be determined together with their relative signs from a single spectrum. The analysis of cross-peak patterns, as presented here, not only provides relatively straightforward routes to the determination of size and sign of hetero-nuclear J-couplings in fluorinated compounds, it also provides new and easy ways for the determination of residual dipolar couplings and thus for structure elucidation. The examples and results presented in this study may contribute to a better interpretation and understanding of various F-C correlation experiments and thereby stimulate their utilization.

  5. SU-E-T-20: A Correlation Study of 2D and 3D Gamma Passing Rates for Prostate IMRT Plans

    SciTech Connect

    Zhang, D; Wang, B; Ma, C; Deng, X

    2015-06-15

    Purpose: To investigate the correlation between the two-dimensional gamma passing rate (2D %GP) and three-dimensional gamma passing rate (3D %GP) in prostate IMRT quality assurance. Methods: Eleven prostate IMRT plans were randomly selected from the clinical database and were used to obtain dose distributions in the phantom and patient. Three types of delivery errors (MLC bank sag errors, central MLC errors and monitor unit errors) were intentionally introduced to modify the clinical plans through an in-house Matlab program. This resulted in 187 modified plans. The 2D %GP and 3D %GP were analyzed using different dose-difference and distance-toagreement (1%-1mm, 2%-2mm and 3%-3mm) and 20% dose threshold. The 2D %GP and 3D %GP were then compared not only for the whole region, but also for the PTVs and critical structures using the statistical Pearson’s correlation coefficient (γ). Results: For different delivery errors, the average comparison of 2D %GP and 3D %GP showed different conclusions. The statistical correlation coefficients between 2D %GP and 3D %GP for the whole dose distribution showed that except for 3%/3mm criterion, 2D %GP and 3D %GP of 1%/1mm criterion and 2%/2mm criterion had strong correlations (Pearson’s γ value >0.8). Compared with the whole region, the correlations of 2D %GP and 3D %GP for PTV were better (the γ value for 1%/1mm, 2%/2mm and 3%/3mm criterion was 0.959, 0.931 and 0.855, respectively). However for the rectum, there was no correlation between 2D %GP and 3D %GP. Conclusion: For prostate IMRT, the correlation between 2D %GP and 3D %GP for the PTV is better than that for normal structures. The lower dose-difference and DTA criterion shows less difference between 2D %GP and 3D %GP. Other factors such as the dosimeter characteristics and TPS algorithm bias may also influence the correlation between 2D %GP and 3D %GP.

  6. Tracking the dehydration process of raw honey by synchronous two-dimensional near infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Guiyun; Sun, Xin; Huang, Yuping; Chen, Kunjie

    2014-11-01

    Though much attention is paid to honey quality assessment, few reports on characteristic of manually dehydrated honey have been found. The aim of this investigation is to track the dehydration process of raw honey using synchronous two-dimensional (2D) near infrared correlation spectroscopy. To minimize the impact of dehydration to honey quality, seventy-two honey samples from six different dehydration stages were obtained using drum wind drying method with temperature controlled at 40 °C. Their dynamic short-wave NIR spectra from 600 to 1100 nm were collected in the transmission mode from 10 to 50 °C with an increment of 5 °C and were analyzed using synchronous two-dimensional correlation method. Short-wave NIR spectral data has been exploited less than other NIR region for its weaker signal especially for water absorption's interference with useful information. The investigation enlarged the signal at this band using synchronous 2D correlation analysis, revealing the fingerprinting feature of rape honey and chaste honey during the artificial dehydration process. The results have shown that, with the help of 2D correlation analysis, this band can detect the variation of the second overtone of O-H and N-H groups vibration upon their H-bonds forming or collapsing resulted from the interactions between water and solute. The results have also shown that 2D-NIRS method is able to convert the tiny changes in honey constituents into the detectable fingerprinting difference, which provides a new method for assessing honey quality.

  7. Opportunities for Live Cell FT-Infrared Imaging: Macromolecule Identification with 2D and 3D Localization

    PubMed Central

    Mattson, Eric C.; Aboualizadeh, Ebrahim; Barabas, Marie E.; Stucky, Cheryl L.; Hirschmugl, Carol J.

    2013-01-01

    Infrared (IR) spectromicroscopy, or chemical imaging, is an evolving technique that is poised to make significant contributions in the fields of biology and medicine. Recent developments in sources, detectors, measurement techniques and speciman holders have now made diffraction-limited Fourier transform infrared (FTIR) imaging of cellular chemistry in living cells a reality. The availability of bright, broadband IR sources and large area, pixelated detectors facilitate live cell imaging, which requires rapid measurements using non-destructive probes. In this work, we review advances in the field of FTIR spectromicroscopy that have contributed to live-cell two and three-dimensional IR imaging, and discuss several key examples that highlight the utility of this technique for studying the structure and chemistry of living cells. PMID:24256815

  8. Opportunities for live cell FT-infrared imaging: macromolecule identification with 2D and 3D localization.

    PubMed

    Mattson, Eric C; Aboualizadeh, Ebrahim; Barabas, Marie E; Stucky, Cheryl L; Hirschmugl, Carol J

    2013-11-19

    Infrared (IR) spectromicroscopy, or chemical imaging, is an evolving technique that is poised to make significant contributions in the fields of biology and medicine. Recent developments in sources, detectors, measurement techniques and speciman holders have now made diffraction-limited Fourier transform infrared (FTIR) imaging of cellular chemistry in living cells a reality. The availability of bright, broadband IR sources and large area, pixelated detectors facilitate live cell imaging, which requires rapid measurements using non-destructive probes. In this work, we review advances in the field of FTIR spectromicroscopy that have contributed to live-cell two and three-dimensional IR imaging, and discuss several key examples that highlight the utility of this technique for studying the structure and chemistry of living cells.

  9. Status of the solar and infrared radiation submodels in the LLNL 1-D and 2-D chemical-transport models

    SciTech Connect

    Grant, K.E.; Taylor, K.E.; Ellis, J.S.; Wuebbles, D.J.

    1987-07-01

    The authors have implemented a series of state of the art radiation transport submodels in previously developed one dimensional and two dimensional chemical transport models of the troposphere and stratosphere. These submodels provide the capability of calculating accurate solar and infrared heating rates. They are a firm basis for further radiation submodel development as well as for studying interactions between radiation and model dynamics under varying conditions of clear sky, clouds, and aerosols. 37 refs., 3 figs.

  10. Selection of the NIR region for a regression model of the ethanol concentration in fermentation process by an online NIR and mid-IR dual-region spectrometer and 2D heterospectral correlation spectroscopy.

    PubMed

    Nishii, Takashi; Genkawa, Takuma; Watari, Masahiro; Ozaki, Yukihiro

    2012-01-01

    A new selection procedure of an informative near-infrared (NIR) region for regression model building is proposed that uses an online NIR/mid-infrared (mid-IR) dual-region spectrometer in conjunction with two-dimensional (2D) NIR/mid-IR heterospectral correlation spectroscopy. In this procedure, both NIR and mid-IR spectra of a liquid sample are acquired sequentially during a reaction process using the NIR/mid-IR dual-region spectrometer; the 2D NIR/mid-IR heterospectral correlation spectrum is subsequently calculated from the obtained spectral data set. From the calculated 2D spectrum, a NIR region is selected that includes bands of high positive correlation intensity with mid-IR bands assigned to the analyte, and used for the construction of a regression model. To evaluate the performance of this procedure, a partial least-squares (PLS) regression model of the ethanol concentration in a fermentation process was constructed. During fermentation, NIR/mid-IR spectra in the 10000 - 1200 cm(-1) region were acquired every 3 min, and a 2D NIR/mid-IR heterospectral correlation spectrum was calculated to investigate the correlation intensity between the NIR and mid-IR bands. NIR regions that include bands at 4343, 4416, 5778, 5904, and 5955 cm(-1), which result from the combinations and overtones of the C-H group of ethanol, were selected for use in the PLS regression models, by taking the correlation intensity of a mid-IR band at 2985 cm(-1) arising from the CH(3) asymmetric stretching vibration mode of ethanol as a reference. The predicted results indicate that the ethanol concentrations calculated from the PLS regression models fit well to those obtained by high-performance liquid chromatography. Thus, it can be concluded that the selection procedure using the NIR/mid-IR dual-region spectrometer combined with 2D NIR/mid-IR heterospectral correlation spectroscopy is a powerful method for the construction of a reliable regression model.

  11. Anisotropic multi-resolution analysis in 2D, application to long-range correlations in cloud mm-radar fields

    SciTech Connect

    Davis, A.B.; Clothiaux, E.

    1999-03-01

    Because of Earth`s gravitational field, its atmosphere is strongly anisotropic with respect to the vertical; the effect of the Earth`s rotation on synoptic wind patterns also causes a more subtle form of anisotropy in the horizontal plane. The authors survey various approaches to statistically robust anisotropy from a wavelet perspective and present a new one adapted to strongly non-isotropic fields that are sampled on a rectangular grid with a large aspect ratio. This novel technique uses an anisotropic version of Multi-Resolution Analysis (MRA) in image analysis; the authors form a tensor product of the standard dyadic Haar basis, where the dividing ratio is {lambda}{sub z} = 2, and a nonstandard triadic counterpart, where the dividing ratio is {lambda}{sub x} = 3. The natural support of the field is therefore 2{sup n} pixels (vertically) by 3{sup n} pixels (horizontally) where n is the number of levels in the MRA. The natural triadic basis includes the French top-hat wavelet which resonates with bumps in the field whereas the Haar wavelet responds to ramps or steps. The complete 2D basis has one scaling function and five wavelets. The resulting anisotropic MRA is designed for application to the liquid water content (LWC) field in boundary-layer clouds, as the prevailing wind advects them by a vertically pointing mm-radar system. Spatial correlations are notoriously long-range in cloud structure and the authors use the wavelet coefficients from the new MRA to characterize these correlations in a multifractal analysis scheme. In the present study, the MRA is used (in synthesis mode) to generate fields that mimic cloud structure quite realistically although only a few parameters are used to control the randomness of the LWC`s wavelet coefficients.

  12. [Identification of adulterated milk based on two-dimensional correlation near-infrared spectra parameterization and BP neural network].

    PubMed

    Miao, Jing; Cao, Yu-Zhen; Yang, Ren-Jie; Liu, Rong; Sun, Hui-Li; Xu, Ke-Xin

    2013-11-01

    Discriminant models of adulterated milk and pure milk were established using BP neural network combined with two-dimensional (2D) correlation near-infrared spectra parameterization. Forty pure milk samples, 40 adulterated milk samples with urea (1-20 g x L(-1)) and 40 adulterated milk samples with melamine (0.01-3 g x L(-1)) were prepared respectively. Based on the characteristics of 2D correlation near-infrared spectra of pure milk and adulterated milk, 5 apparent statistic parameters were calculated based on the parameterization theory. Using 5 characteristic parameters, discriminant models of urea adulterated milk, melamine adulterated milk and two types of adulterated milk were built by BP neural network The prediction rate of unknown samples were 95%, 100% and 96.7%, respectively. The results show that this method can extract effectively feature information of adulterant, reduce the input dimensions of BP neural network, and better realize qualitative analysis of adulterant in milk.

  13. Structural study of photodegraded acrylic-coated lime wood using Fourier transform infrared and two-dimensional infrared correlation spectroscopy.

    PubMed

    Popescu, Carmen-Mihaela; Simionescu, Bogdan C

    2013-06-01

    The weathering of acrylic films and acrylic-coated lime wood (Tillia cordata Mill.) were examined using Fourier transform infrared (FT-IR) and two-dimensional infrared correlation spectroscopy. The obtained results showed chemical changes induced by exposure to weathering conditions, in both films and coated wood. The observed spectral changes of the acrylic films refer to the absorption band assigned to the C-O stretching, which progressively decreases with increasing exposure time. In the spectra of treated wood samples the main signal indicating the advance of oxidation during the photodegradation exposure is the gradual increase and broadening of the band in the carbonyl region. This is due to the formation of the non-hydrogen bonded aliphatic carboxylic acids and γ-lactone structures in the acrylic resin and of the nonconjugated ketones, carboxyl groups, and lactones in wood. As a consequence, the increase of the 1734 cm(-1) band is due to the degradation of lignin from wood surface. These observations are also supported by the decreased intensities of the bands at 1598 and 1505 cm(-1), assigned to C=C of aromatic skeletal (lignin). The relative intensity of the characteristic aromatic lignin band at 1505 cm(-1) decreases up to 25% of its original value after weathering, being less than half of the value obtained for uncoated wood. Two-dimensional infrared (2D IR) correlation spectroscopy was used to identify the sequence of the modifications of the different stretching vibrations bands under the weathering conditions, the method allowing the prediction of the order of degradation reactions. The acrylic resin degradation starts with the formation of radicals by abstraction of the tertiary hydrogen atoms of the methyl acrylate units and the α-CH3 groups from the ethyl methacrylate units. The subsequent decomposition and oxidation led to the formation of alcohol groups, hydroperoxides, ketones, and/or carboxylic acid groups. The 2D IR correlation spectra of

  14. Jet engine noise and infrared plume correlation field campaign

    NASA Astrophysics Data System (ADS)

    Cunio, Phillip M.; Weber, Reed A.; Knobel, Kimberly R.; Smith, Christine; Draudt, Andy

    2015-09-01

    Jet engine noise can be a health hazard and environmental pollutant, particularly affecting personnel working in close proximity to jet engines, such as airline mechanics. Mitigating noise could reduce the potential for hearing loss in runway workers; however, there exists a very complex relationship between jet engine design parameters, operating conditions, and resultant noise power levels, and understanding and characterizing this relationship is a key step in mitigating jet engine noise effects. We demonstrate initial results highlighting the utility of high-speed imaging (hypertemporal imaging) in correlating the infrared signatures of jet engines with acoustic noise. This paper builds on prior theoretical analysis of jet engine infrared signatures and their potential relationships to jet engine acoustic emissions. This previous work identified the region of the jet plume most likely to emit both in infrared and in acoustic domains, and it prompted the investigation of wave packets as a physical construct tying together acoustic and infrared energy emissions. As a means of verifying these assertions, a field campaign to collect relevant data was proposed, and data collection was carried out with a bank of infrared instruments imaging a T700 turboshaft engine undergoing routine operational testing. The detection of hypertemporal signatures in association with acoustic signatures of jet engines enables the use of a new domain in characterizing jet engine noise. This may in turn enable new methods of predicting or mitigating jet engine noise, which could lead to socioeconomic benefits for airlines and other operators of large numbers of jet engines.

  15. Radiographic Trabecular 2D and 3D Parameters of Proximal Femoral Bone Cores Correlate with Each Other and with Yield Stress

    PubMed Central

    Steines, Daniel; Liew, Siau-Way; Arnaud, Claude; Voracek, Rene Vargas; Nazarian, Ara; Müller, Ralph; Snyder, Brian; Hess, Patrick; Lang, Philipp

    2010-01-01

    Introduction We compared morphometric measurements of trabecular patterns in two-dimensional (2D) projection radiographic images of cores from cadaver proximal femoral bones with conceptually equivalent measurements from three-dimensional (3D) μCT images. Methods Seven cadaver proximal femora provided 47 excised cores from seven regions. Digitized radiographs of those cores were processed with software that extracts trabecular patterns. Measurements of their distribution, geometry, and connectivity were compared with 3D parameters of similar definition derived from μCT of those cores. The relationship between 2D and 3D measurements and yield stress was also examined. Results 2D measurements strongly correlated with conceptually equivalent measurements obtained using 3D μCT. In all cases, the correlation coefficients were high, ranging from r=0.84 (p<0.001) to r=0.93 (p<0.001). The correlation coefficients between 2D and 3D measurements and yield stress of the cores were also high (r=0.60 and 0.82, p<0.001 respectively). Conclusions These findings provide correlative and biomechanical evidence supporting the qualitative similarity of 2D microstructural parameters extracted from plain proximal femoral core X-ray images to conceptually equivalent 3D microstuctural measurements of those same cores. PMID:19319618

  16. Length of psychiatric hospitalization is correlated with CYP2D6 functional status in inpatients with major depressive disorder

    PubMed Central

    Ruaño, Gualberto; Szarek, Bonnie L; Villagra, David; Gorowski, Krystyna; Kocherla, Mohan; Seip, Richard L; Goethe, John W; Schwartz, Harold I

    2016-01-01

    Aim This study aimed to determine the effect of the CYP2D6 genotype on the length of hospitalization stay for patients treated for major depressive disorder. Methods A total of 149 inpatients with a diagnosis of major depressive disorder at the Institute of Living, Hartford Hospital (CT, USA), were genotyped to detect altered alleles in the CYP2D6 gene. Prospectively defined drug metabolism indices (metabolic reserve, metabolic alteration and allele alteration) were determined quantitatively and assessed for their relationship to length of hospitalization stay. Results Hospital stay was significantly longer in deficient CYP2D6 metabolizers (metabolic reserve <2) compared with functional or suprafunctional metabolizers (metabolic reserve ≥2; 7.8 vs 5.7 days, respectively; p = 0.002). Conclusion CYP2D6 enzymatic functional status significantly affected length of hospital stay, perhaps due to reduced efficacy or increased side effects of the medications metabolized by the CYP2D6 isoenzyme. Functional scoring of CYP2D6 alleles may have a substantial impact on the quality of care, patient satisfaction and the economics of psychiatric treatment. PMID:23734807

  17. The correlation between CYP2D6 isoenzyme activity and haloperidol efficacy and safety profile in patients with alcohol addiction during the exacerbation of the addiction

    PubMed Central

    Sychev, Dmitry Alekseevich; Zastrozhin, Mikhail Sergeevich; Smirnov, Valery Valerieevich; Grishina, Elena Anatolievna; Savchenko, Ludmila Mikhailovna; Bryun, Evgeny Alekseevich

    2016-01-01

    Background Today, it is proved that isoenzymes CYP2D6 and CYP3A4 are involved in metabolism of haloperidol. In our previous investigation, we found a medium correlation between the efficacy and safety of haloperidol and the activity of CYP3A4 in patients with alcohol abuse. Objective The aim of this study was to evaluate the correlation between the activity of CYP2D6 and the efficacy and safety of haloperidol in patients with diagnosed alcohol abuse. Methods The study involved 70 men (average age: 40.83±9.92 years) with alcohol addiction. A series of psychometric scales were used in the research. The activity of CYP2D6 was evaluated by high-performance liquid chromatography with mass spectrometry using the ratio of 6-hydroxy-1,2,3,4-tetrahydro-beta-carboline to pinoline. Genotyping of CYP2D6 (1846G>A) was performed using real-time polymerase chain reaction. Results According to results of correlation analysis, statistically significant values of Spearman correlation coefficient (rs) between the activity of CYP2D6 and the difference of points in psychometric scale were obtained in patients receiving haloperidol in injection form (Sheehan Clinical Anxiety Rating Scale =−0.721 [P<0.001] and Udvald for Kliniske Undersogelser Side Effect Rating Scale =0.692 [P<0.001]) and in those receiving haloperidol in tablet form (Covi Anxiety Scale =−0.851 [P<0.001] and Udvald for Kliniske Undersogelser Side Effect Rating Scale =0.797 [P<0.001]). Conclusion This study demonstrated the correlations between the activity of CYP2D6 isozyme and the efficacy and safety of haloperidol in patients with alcohol addiction. PMID:27695358

  18. Discrimination of adulterated milk based on two-dimensional correlation spectroscopy (2D-COS) combined with kernel orthogonal projection to latent structure (K-OPLS).

    PubMed

    Yang, Renjie; Liu, Rong; Xu, Kexin; Yang, Yanrong

    2013-12-01

    A new method for discrimination analysis of adulterated milk and pure milk is proposed by combining two-dimensional correlation spectroscopy (2D-COS) with kernel orthogonal projection to latent structure (K-OPLS). Three adulteration types of milk with urea, melamine, and glucose were prepared, respectively. The synchronous 2D spectra of adulterated milk and pure milk samples were calculated. Based on the characteristics of 2D correlation spectra of adulterated milk and pure milk, a discriminant model of urea-tainted milk, melamine-tainted milk, glucose-tainted milk, and pure milk was built by K-OPLS. The classification accuracy rates of unknown samples were 85.7, 92.3, 100, and 87.5%, respectively. The results show that this method has great potential in the rapid discrimination analysis of adulterated milk and pure milk.

  19. Discrimination of different genuine Danshen and their extracts by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Xin-hu; Xu, Chang-hua; Sun, Su-qin; Huang, Jian; Zhang, Ke; Li, Guo-yu; Zhu, Yun; Zhou, Qun; Zhang, Zhi-cheng; Wang, Jin-hui

    2012-11-01

    In this study, six varieties of Danshen from different populations and genuine ("Daodi" in Chinese transliteration) regions were discriminated and identified by a three-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy (2D-IR)). Though only small differences were found among the FT-IR spectra of the six Danshen samples, the positions and intensities of peaks at 3393, 3371, 1613, 1050, and 1036 cm-1 could be considered as the key factors to discriminate them. More significant differences were exhibited in their SD-IR, particularly for the peaks around 1080, 1144, 695, 665, 800, 1610, 1510, 1450, 1117 and 1077 cm-1. The visual 2D-IR spectra provided dynamic chemical structure information of the six Danshen samples with presenting different particular auto-peak clusters, respectively. Moreover, the contents of salvianolic acid B in all samples were measured quantitatively by a validated ultra performance liquid chromatography (UPLC), which was consistent with the FT-IR findings. This study provides a promising method for characteristics and quality control of the complicated and extremely similar herbal medicine like Danshen, which is more cost effective and time saving.

  20. High-resolution infrared study of AsH 2D: The stretching fundamental bands ν1/ ν5 and ν2

    NASA Astrophysics Data System (ADS)

    Ulenikov, O. N.; Bekhtereva, E. S.; Yukhnik, Yu. B.; Vershinina, O. G.; Jerzembeck, W.; Bürger, H.

    2008-11-01

    High-resolution (ca. 0.0025 cm -1) Fourier transform infrared spectra of AsH 2D were recorded in the regions of the As-H and As-D stretching fundamental bands ν1/ ν5 and ν2, respectively, and analyzed. Strong resonance interactions between the bands ν1 and ν5, and also between the band ν2 and the bending overtone band 2 ν4 were established. From transitions observed in the ν1 and ν5 bands ground state rotational energies for larger values of rotational quantum numbers than previously available could be determined. Thereof improved ground state rotational parameters were derived. More than 3200 assigned transitions corresponding to 1059 upper state energy levels which were almost equally distributed over the three stretching states were fitted with an rms-deviation of 0.00031 cm -1, which corresponds to experimental precision.

  1. One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4

    PubMed Central

    Disseler, S. M.; Chen, Y.; Yeo, S.; Gasparovic, G.; Piccoli, P. M. B.; Schultz, A. J.; Qiu, Y.; Huang, Q.; Cheong, S.-W.; Ratcliff, W.

    2015-01-01

    We report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ions on the spinel lattice. PMID:26644220

  2. One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4

    DOE PAGES

    Disseler, S. M.; Chen, Y.; Yeo, S.; ...

    2015-12-08

    In this paper we report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ionsmore » on the spinel lattice.« less

  3. One Dimensional(1D)-to-2D Crossover of Spin Correlations in the 3D Magnet ZnMn2O4

    SciTech Connect

    Disseler, S. M.; Chen, Y.; Yeo, S.; Gasparovic, G.; Piccoli, P. M. B.; Schultz, A. J.; Qiu, Y.; Huang, Q.; Cheong, S. -W.; Ratcliff, W.

    2015-12-08

    In this paper we report on the intriguing evolution of the dynamical spin correlations of the frustrated spinel ZnMn2O4. Inelastic neutron scattering and magnetization studies reveal that the dynamical correlations at high temperatures are 1D. At lower temperature, these dynamical correlations become 2D. Surprisingly, the dynamical correlations condense into a quasi 2D Ising-like ordered state, making this a rare observation of two dimensional order on the spinel lattice. Remarkably, 3D ordering is not observed down to temperatures as low as 300 mK. This unprecedented dimensional crossover stems from frustrated exchange couplings due to the huge Jahn-Teller distortions around Mn3+ ions on the spinel lattice.

  4. Sub-Doppler infrared spectroscopy of CH2D radical in a slit supersonic jet: isotopic symmetry breaking in the CH stretching manifold.

    PubMed

    Roberts, Melanie A; Savage, Chandra; Dong, Feng; Sharp-Williams, Erin N; McCoy, Anne B; Nesbitt, David J

    2012-06-21

    First high-resolution infrared absorption spectra in the fundamental symmetric/asymmetric CH stretching region of isotopically substituted methyl radical, CH(2)D, are reported and analyzed. These studies become feasible in the difference frequency spectrometer due to (i) high density radical generation via dissociative electron attachment to CH(2)DI in a discharge, (ii) low rotational temperatures (23 K) from supersonic cooling in a slit expansion, (iii) long absorption path length (64 cm) along the slit axes, and (iv) near shot noise limited absorption sensitivity (5 × 10(-7)/√(Hz)). The spectra are fully rovibrationally resolved and fit to an asymmetric top rotational Hamiltonian to yield rotational/centrifugal constants and vibrational band origins. In addition, the slit expansion collisionally quenches the transverse velocity distribution along the laser probe direction, yielding sub-Doppler resolution of spin-rotation structure and even partial resolution of nuclear hyperfine structure for each rovibrational line. Global least-squares fits to the line shapes provide additional information on spin-rotation and nuclear hyperfine constants, which complement and clarify previous FTIR studies [K. Kawaguchi, Can. J. Phys. 79, 449 (2001)] of CH(2)D in the out-of-plane bending region. Finally, analysis of the spectral data from the full isotopomeric CH(m)D(3-m) series based on harmonically coupled Morse oscillators establishes a predictive framework for describing the manifold of planar stretching vibrations in this fundamental combustion radical.

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

    NASA Astrophysics Data System (ADS)

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

    2010-02-01

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

  6. Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.

    PubMed

    Woys, Ann Marie; Almeida, Aaron M; Wang, Lu; Chiu, Chi-Cheng; McGovern, Michael; de Pablo, Juan J; Skinner, James L; Gellman, Samuel H; Zanni, Martin T

    2012-11-21

    Infrared spectroscopy is playing an important role in the elucidation of amyloid fiber formation, but the coupling models that link spectra to structure are not well tested for parallel β-sheets. Using a synthetic macrocycle that enforces a two stranded parallel β-sheet conformation, we measured the lifetimes and frequency for six combinations of doubly (13)C═(18)O labeled amide I modes using 2D IR spectroscopy. The average vibrational lifetime of the isotope labeled residues was 550 fs. The frequencies of the labels ranged from 1585 to 1595 cm(-1), with the largest frequency shift occurring for in-register amino acids. The 2D IR spectra of the coupled isotope labels were calculated from molecular dynamics simulations of a series of macrocycle structures generated from replica exchange dynamics to fully sample the conformational distribution. The models used to simulate the spectra include through-space coupling, through-bond coupling, and local frequency shifts caused by environment electrostatics and hydrogen bonding. The calculated spectra predict the line widths and frequencies nearly quantitatively. Historically, the characteristic features of β-sheet infrared spectra have been attributed to through-space couplings such as transition dipole coupling. We find that frequency shifts of the local carbonyl groups due to nearest neighbor couplings and environmental factors are more important, while the through-space couplings dictate the spectral intensities. As a result, the characteristic absorption spectra empirically used for decades to assign parallel β-sheet secondary structure arises because of a redistribution of oscillator strength, but the through-space couplings do not themselves dramatically alter the frequency distribution of eigenstates much more than already exists in random coil structures. Moreover, solvent exposed residues have amide I bands with >20 cm(-1) line width. Narrower line widths indicate that the amide I backbone is solvent

  7. Reduced Expression of Histone Methyltransferases KMT2C and KMT2D Correlates with Improved Outcome in Pancreatic Ductal Adenocarcinoma.

    PubMed

    Dawkins, Joshua B N; Wang, Jun; Maniati, Eleni; Heward, James A; Koniali, Lola; Kocher, Hemant M; Martin, Sarah A; Chelala, Claude; Balkwill, Frances R; Fitzgibbon, Jude; Grose, Richard P

    2016-08-15

    Genes encoding the histone H3 lysine 4 methyltransferases KMT2C and KMT2D are subject to deletion and mutation in pancreatic ductal adenocarcinoma (PDAC), where these lesions identify a group of patients with a more favorable prognosis. In this study, we demonstrate that low KMT2C and KMT2D expression in biopsies also defines better outcome groups, with median survivals of 15.9 versus 9.2 months (P = 0.029) and 19.9 versus 11.8 months (P = 0.001), respectively. Experiments with eight human pancreatic cell lines showed attenuated cell proliferation when these methyltransferases were depleted, suggesting that this improved outcome may reflect a cell-cycle block with diminished progression from G0-G1 RNA-seq analysis of PDAC cell lines following KMT2C or KMT2D knockdown identified 31 and 124 differentially expressed genes, respectively, with 19 genes in common. Gene-set enrichment analysis revealed significant downregulation of genes related to cell-cycle and growth. These data were corroborated independently by examining KMT2C/D signatures extracted from the International Cancer Genome Consortium and The Cancer Genome Atlas datasets. Furthermore, these experiments highlighted a potential role for NCAPD3, a condensin II complex subunit, as an outcome predictor in PDAC using existing gene expression series. Kmt2d depletion in KC/KPC cell lines also led to an increased response to the nucleoside analogue 5-fluorouracil, suggesting that lower levels of this methyltransferase may mediate the sensitivity of PDAC to particular treatments. Therefore, it may also be therapeutically beneficial to target these methyltransferases in PDAC, especially in those patients demonstrating higher KTM2C/D expression. Cancer Res; 76(16); 4861-71. ©2016 AACR.

  8. Reduced Expression of Histone Methyltransferases KMT2C and KMT2D Correlates with Improved Outcome in Pancreatic Ductal Adenocarcinoma

    PubMed Central

    Dawkins, Joshua B.N.; Wang, Jun; Maniati, Eleni; Heward, James A.; Koniali, Lola; Kocher, Hemant M.; Martin, Sarah A.; Chelala, Claude; Balkwill, Frances R.; Fitzgibbon, Jude; Grose, Richard P.

    2017-01-01

    Genes encoding the histone H3 lysine 4 methyltransferases KMT2C and KMT2D are subject to deletion and mutation in pancreatic ductal adenocarcinoma (PDAC), where these lesions identify a group of patients with a more favorable prognosis. In this study, we demonstrate that low KMT2C and KMT2D expression in biopsies also defines better outcome groups, with median survivals of 15.9 versus 9.2 months (P = 0.029) and 19.9 versus 11.8 months (P = 0.001), respectively. Experiments with eight human pancreatic cell lines showed attenuated cell proliferation when these methyltransferases were depleted, suggesting that this improved outcome may reflect a cell-cycle block with diminished progression from G0–G1. RNA-seq analysis of PDAC cell lines following KMT2C or KMT2D knockdown identified 31 and 124 differentially expressed genes, respectively, with 19 genes in common. Gene-set enrichment analysis revealed significant downregulation of genes related to cell-cycle and growth. These data were corroborated independently by examining KMT2C/D signatures extracted from the International Cancer Genome Consortium and The Cancer Genome Atlas datasets. Furthermore, these experiments highlighted a potential role for NCAPD3, a condensin II complex subunit, as an outcome predictor in PDAC using existing gene expression series. Kmt2d depletion in KC/KPC cell lines also led to an increased response to the nucleoside analogue 5-fluorouracil, suggesting that lower levels of this methyltransferase may mediate the sensitivity of PDAC to particular treatments. Therefore, it may also be therapeutically beneficial to target these methyltransferases in PDAC, especially in those patients demonstrating higher KTM2C/D expression. PMID:27280393

  9. Striatal D2/D3 Receptor Availability is Inversely Correlated with Cannabis Consumption in Chronic Marijuana Users

    PubMed Central

    Albrecht, Daniel S.; Skosnik, Patrick D.; Vollmer, Jennifer M.; Brumbaugh, Margaret S.; Perry, Kevin M.; Mock, Bruce H.; Zheng, Qi-Huang; Federici, Lauren A.; Patton, Elizabeth A.; Herring, Christine M.; Yoder, Karmen K.

    2012-01-01

    BACKGROUND Although the incidence of cannabis abuse/dependence in Americans is rising, the neurobiology of cannabis addiction is not well understood. Imaging studies have demonstrated deficits in striatal D2/D3 receptor availability in several substance-dependent populations. However, this has not been studied in currently-using chronic cannabis users. OBJECTIVE The purpose of this study was to compare striatal D2/D3 receptor availability between currently-using chronic cannabis users and healthy controls. METHODS Eighteen right-handed males age 18–34 were studied. Ten subjects were chronic cannabis users; eight were demographically matched controls. Subjects underwent a [11C] raclopride (RAC) PET scan. Striatal RAC binding potential (BPND) was calculated on a voxel-wise basis. Prior to scanning, urine samples were obtained from cannabis users for quantification of urine Δ-9-tetrahydrocannabinol (THC) and THC metabolites (11-nor-Δ-9-THC-9-carboxylic acid; THC-COOH and 11-hydroxy-THC;OH-THC). Results There were no differences in D2/D3 receptor availability between cannabis users and controls. Voxel-wise analyses revealed that RAC BPND values were negatively associated with both urine levels of cannabis metabolites and self-report of recent cannabis consumption. CONCLUSIONS In this sample, current cannabis use was not associated with deficits in striatal D2/D3 receptor availability. There was an inverse relationship between chronic cannabis use and striatal RAC BPND. Additional studies are needed to identify the neurochemical consequences of chronic cannabis use on the dopamine system. PMID:22909787

  10. Correlative infrared nanospectroscopic and nanomechanical imaging of block copolymer microdomains

    PubMed Central

    Pollard, Benjamin

    2016-01-01

    Summary Intermolecular interactions and nanoscale phase separation govern the properties of many molecular soft-matter systems. Here, we combine infrared vibrational scattering scanning near-field optical microscopy (IR s-SNOM) with force–distance spectroscopy for simultaneous characterization of both nanoscale optical and nanomechanical molecular properties through hybrid imaging. The resulting multichannel images and correlative analysis of chemical composition, spectral IR line shape, modulus, adhesion, deformation, and dissipation acquired for a thin film of a nanophase separated block copolymer (PS-b-PMMA) reveal complex structural variations, in particular at domain interfaces, not resolved in any individual signal channel alone. These variations suggest that regions of multicomponent chemical composition, such as the interfacial mixing regions between microdomains, are correlated with high spatial heterogeneity in nanoscale material properties. PMID:27335750

  11. Application of two-dimensional near-infrared correlation spectroscopy to the discrimination of Chinese herbal medicine of different geographic regions

    NASA Astrophysics Data System (ADS)

    Lu, Jun; Xiang, Bingren; Liu, Hao; Xiang, Suyun; Xie, Shaofei; Deng, Haishan

    2008-02-01

    Fructus Lycii is a traditional Chinese medicinal herb. The objective of this paper was to apply two-dimensional (2D) near-infrared (NIR) correlation spectroscopy to the discrimination of Fructus Lycii of four different geographic regions. Generalized 2D-NIR correlation spectroscopy was able to enhance spectral resolution, simplify the spectrum with overlapped bands, and provide information about temperature-induced spectral intensity variations that was hard to obtain from one-dimensional NIR spectroscopy. The 2D synchronous and asynchronous spectra showed remarkable differences within the range of 4950-5700 cm -1 between samples of different geographic regions. Using NIR instead of IR made the 2D approach more convenient and fast, and it can be applied to more area like process control. This approach can also be applied analogously to the discrimination of other Chinese herbal medicine of different geographic regions.

  12. Study of Positronium in Low-k Dielectric Films by means of 2D-Angular Correlation Experiments at a High-Intensity Slow-Positron Beam

    SciTech Connect

    Gessmann, T; Petkov, M P; Weber, M H; Lynn, K G; Rodbell, K P; Asoka-Kumar, P; Stoeffl, W; Howell, R H

    2001-06-20

    Depth-resolved measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed at the high-intensity slow-positron beam of Lawrence Livermore National Laboratory. We studied the formation of positronium in thin films of methyl-silsesquioxane (MSSQ) spin-on glass containing open-volume defects in the size of voids. Samples with different average void sizes were investigated and positronium formation could be found in all cases. The width of the angular correlation related to the annihilation of parapositronium increased with the void size indicating the annihilation of non-thermalized parapositronium.

  13. Rotational Analysis of Bands in the High-Resolution Infrared Spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d1

    SciTech Connect

    Craig, Norman C.; Easterday, Clay C.; Nemchick, Deacon J.; Williamson, Drew; Sams, Robert L.

    2012-02-01

    Pure samples of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d1 have been synthesized, and high-resolution (0.0015 cm-1) infrared spectra have been recorded for these nonpolar molecules in the gas phase. For the cis,cis isomer, the rotational structure in two C-type bands at 775 and 666 cm-1 and one A-type band at 866 cm-1 has been analyzed to yield a combined set of 2020 ground state combination differences (GSCDs). Ground state rotational constants fit to these GSCDs are A0 = 0.4195790(4), B0 = 0.0536508(8), and C0 = 0.0475802(9) cm-1. For the trans,trans isomer, three Ctype bands at 856, 839, and 709 cm-1 have been investigated to give a combined set of 1624 GSCDs. Resulting ground state rotational constants for this isomer are A0 = 0.9390117(8), B0 = 0.0389225(4), and C0 = 0.0373778(3) cm-1. Small inertial defects confirm the planarity of both isomers in the ground state. Upper state rotational constants have been determined for most of the transitions. The ground state rotational constants for the two isotopologues will contribute to the data set needed for determining semiexperimental equilibrium structures for the nonpolar isomers of 1,4- difluorobutadiene.

  14. High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals

    NASA Astrophysics Data System (ADS)

    Baldacci, A.; Stoppa, P.; Visinoni, R.; Wugt Larsen, R.

    2012-09-01

    The high resolution infrared absorption spectrum of CH2D81Br has been recorded by Fourier transform spectroscopy in the range 550-1075 cm-1, with an unapodized resolution of 0.0025 cm-1, employing a synchrotron radiation source. This spectral region is characterized by the ν6 (593.872 cm-1), ν5 (768.710 cm-1) and ν9 (930.295 cm-1) fundamental bands. The ground state constants up to sextic centrifugal distortion terms have been obtained for the first time by ground-state combination differences from the three bands and subsequently employed for the evaluation of the excited state parameters. Watson's A-reduced Hamiltonian in the Ir representation has been used in the calculations. The ν 6 = 1 level is essentially free from perturbation whereas the ν 5 = 1 and ν 9 = 1 states are mutually interacting through a-type Coriolis coupling. Accurate spectroscopic parameters of the three excited vibrational states and a high-order coupling constant which takes into account the interaction between ν5 and ν9 have been determined.

  15. Study on the crystalline structure transition of syndiotactic polystyrene film during heat treatment by two-dimensional infrared correlation spectroscopy.

    PubMed

    Li, Weizhen; Wu, Peiyi

    2009-08-01

    The crystal structure transition of syndiotactic polystyrene film from the helical conformation to the more stable planar zigzag conformation during a heating process was studied using Fourier transform infrared (FT-IR) spectroscopy in combination with two-dimensional (2D) correlation analysis and perturbation-correlation moving-window 2D analysis. The sequence of different conformations during the transition was investigated by analyzing two-dimensional FT-IR correlation spectra in the spectral ranges of 800-700 cm(-1) and 600-500 cm(-1). It was observed that the conformation of delta helical changes prior to gamma helical, and the gamma helical phase is faster than the alpha' planar zigzag phase. By utilizing the 2D asynchronous correlation spectra, the 744 cm(-1) band, which is usually incorporated in the broad 750 cm(-1) band, can now be uniquely attributed as the alpha' zigzag configuration for the first time. Furthermore, by employing thermal perturbation, the shorter helical segments consisting of m = 7-12 and m = 12-20 monomeric units were disturbed in a shorter time than the longer helical segments m = 20-30 during the heating process.

  16. A study on correlation between 2D and 3D gamma evaluation metrics in patient-specific quality assurance for VMAT

    SciTech Connect

    Rajasekaran, Dhanabalan Jeevanandam, Prakash; Sukumar, Prabakar; Ranganathan, Arulpandiyan; Johnjothi, Samdevakumar; Nagarajan, Vivekanandan

    2014-01-01

    In this study, we investigated the correlation between 2-dimensional (2D) and 3D gamma analysis using the new PTW OCTAVIUS 4D system for various parameters. For this study, we selected 150 clinically approved volumetric-modulated arc therapy (VMAT) plans of head and neck (50), thoracic (esophagus) (50), and pelvic (cervix) (50) sites. Individual verification plans were created and delivered to the OCTAVIUS 4D phantom. Measured and calculated dose distributions were compared using the 2D and 3D gamma analysis by global (maximum), local and selected (isocenter) dose methods. The average gamma passing rate for 2D global gamma analysis in coronal and sagittal plane was 94.81% ± 2.12% and 95.19% ± 1.76%, respectively, for commonly used 3-mm/3% criteria with 10% low-dose threshold. Correspondingly, for the same criteria, the average gamma passing rate for 3D planar global gamma analysis was 95.90% ± 1.57% and 95.61% ± 1.65%. The volumetric 3D gamma passing rate for 3-mm/3% (10% low-dose threshold) global gamma was 96.49% ± 1.49%. Applying stringent gamma criteria resulted in higher differences between 2D planar and 3D planar gamma analysis across all the global, local, and selected dose gamma evaluation methods. The average gamma passing rate for volumetric 3D gamma analysis was 1.49%, 1.36%, and 2.16% higher when compared with 2D planar analyses (coronal and sagittal combined average) for 3 mm/3% global, local, and selected dose gamma analysis, respectively. On the basis of the wide range of analysis and correlation study, we conclude that there is no assured correlation or notable pattern that could provide relation between planar 2D and volumetric 3D gamma analysis. Owing to higher passing rates, higher action limits can be set while performing 3D quality assurance. Site-wise action limits may be considered for patient-specific QA in VMAT.

  17. High-accuracy 2D digital image correlation measurements using low-cost imaging lenses: implementation of a generalized compensation method

    NASA Astrophysics Data System (ADS)

    Pan, Bing; Yu, Liping; Wu, Dafang

    2014-02-01

    The ideal pinhole imaging model commonly assumed for an ordinary two-dimensional digital image correlation (2D-DIC) system is neither perfect nor stable because of the existence of small out-of-plane motion of the test sample surface that occurred after loading, small out-of-plane motion of the sensor target due to temperature variation of a camera and unavoidable geometric distortion of an imaging lens. In certain cases, these disadvantages can lead to significant errors in the measured displacements and strains. Although a high-quality bilateral telecentric lens has been strongly recommended to be used in the 2D-DIC system as an essential optical component to achieve high-accuracy measurement, it is not generally applicable due to its fixed field of view, limited depth of focus and high cost. To minimize the errors associated with the imperfectness and instability of a common 2D-DIC system using a low-cost imaging lens, a generalized compensation method using a non-deformable reference sample is proposed in this work. With the proposed method, the displacement of the reference sample rigidly attached behind the test sample is first measured using 2D-DIC, and then it is fitted using a parametric model. The fitted parametric model is then used to correct the displacements of the deformed sample to remove the influences of these unfavorable factors. The validity of the proposed compensation method is first verified using out-of-plane translation, out-of-plane rotation, in-plane translation tests and their combinations. Uniaxial tensile tests of an aluminum specimen were also performed to quantitatively examine the strain accuracy of the proposed compensation method. Experiments show that the proposed compensation method is an easy-to-implement yet effective technique for achieving high-accuracy deformation measurement using an ordinary 2D-DIC system.

  18. Detailed landfill leachate plume mapping using 2D and 3D electrical resistivity tomography - with correlation to ionic strength measured in screens

    NASA Astrophysics Data System (ADS)

    Maurya, P. K.; Rønde, V. K.; Fiandaca, G.; Balbarini, N.; Auken, E.; Bjerg, P. L.; Christiansen, A. V.

    2017-03-01

    Leaching of organic and inorganic contamination from landfills is a serious environmental problem as surface water and aquifers are affected. In order to assess these risks and investigate the migration of leachate from the landfill, 2D and large scale 3D electrical resistivity tomography were used at a heavily contaminated landfill in Grindsted, Denmark. The inverted 2D profiles describe both the variations along the groundwater flow as well as the plume extension across the flow directions. The 3D inversion model shows the variability in the low resistivity anomaly pattern corresponding to differences in the ionic strength of the landfill leachate. Chemical data from boreholes agree well with the observations indicating a leachate plume which gradually sinks and increases in size while migrating from the landfill in the groundwater flow direction. Overall results show that the resistivity method has been very successful in delineating the landfill leachate plume and that good correlation exists between the resistivity model and leachate ionic strength.

  19. Two-dimensional correlation infrared spectroscopy applied to analyzing and identifying the extracts of Baeckea frutescens medicinal materials.

    PubMed

    Adib, Adiana Mohamed; Jamaludin, Fadzureena; Kiong, Ling Sui; Hashim, Nuziah; Abdullah, Zunoliza

    2014-08-05

    Baeckea frutescens or locally known as Cucur atap is used as antibacterial, antidysentery, antipyretic and diuretic agent. In Malaysia and Indonesia, they are used as an ingredient of the traditional medicine given to mothers during confinement. A three-steps infra-red (IR) macro-fingerprinting method combining conventional IR spectra, and the secondary derivative spectra with two dimensional infrared correlation spectroscopy (2D-IR) have been proved to be effective methods to examine a complicated mixture such as herbal medicines. This study investigated the feasibility of employing multi-steps IR spectroscopy in order to study the main constituents of B. frutescens and its different extracts (extracted by chloroform, ethyl acetate, methanol and aqueous in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. The structural information of the samples indicated that B. frutescens and its extracts contain a large amount of flavonoids, since some characteristic absorption peaks of flavonoids, such as ∼1600cm(-1), ∼1500cm(-1), ∼1450cm(-1), and ∼1270cm(-1) can be observed. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

  20. 2dFLenS and KiDS: determining source redshift distributions with cross-correlations

    NASA Astrophysics Data System (ADS)

    Johnson, Andrew; Blake, Chris; Amon, Alexandra; Erben, Thomas; Glazebrook, Karl; Harnois-Deraps, Joachim; Heymans, Catherine; Hildebrandt, Hendrik; Joudaki, Shahab; Klaes, Dominik; Kuijken, Konrad; Lidman, Chris; Marin, Felipe A.; McFarland, John; Morrison, Christopher B.; Parkinson, David; Poole, Gregory B.; Radovich, Mario; Wolf, Christian

    2017-03-01

    We develop a statistical estimator to infer the redshift probability distribution of a photometric sample of galaxies from its angular cross-correlation in redshift bins with an overlapping spectroscopic sample. This estimator is a minimum-variance weighted quadratic function of the data: a quadratic estimator. This extends and modifies the methodology presented by McQuinn & White. The derived source redshift distribution is degenerate with the source galaxy bias, which must be constrained via additional assumptions. We apply this estimator to constrain source galaxy redshift distributions in the Kilo-Degree imaging survey through cross-correlation with the spectroscopic 2-degree Field Lensing Survey, presenting results first as a binned step-wise distribution in the range z < 0.8, and then building a continuous distribution using a Gaussian process model. We demonstrate the robustness of our methodology using mock catalogues constructed from N-body simulations, and comparisons with other techniques for inferring the redshift distribution.

  1. Melting behavior of poly(3-hydroxybutyrate) investigated by two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Padermshoke, Adchara; Katsumoto, Yukiteru; Sato, Harumi; Ekgasit, Sanong; Noda, Isao; Ozaki, Yukihiro

    2005-02-01

    The melting behavior of a bacterially synthesized biodegradable polymer, poly(3-hydroxybutyrate) (PHB), was investigated by using generalized two-dimensional infrared (2D IR) correlation spectroscopy. Temperature-dependent spectral variations in the regions of the CH stretching (3100-2850 cm -1), CO stretching (1800-1680 cm -1), and COC stretching (1320-1120 cm -1) bands were monitored during the melting process. The asynchronous 2D correlation spectrum for the CO stretching band region resolved two crystalline bands at 1731 and 1723 cm -1. The intense band at 1723 cm -1 may be due to the highly ordered crystalline part of PHB, and the weak band at 1731 cm -1 possibly arises from the crystalline part with a less ordered structure. These crystalline bands at 1731 and 1723 cm -1 share asynchronous cross peaks with a band at around 1740 cm -1 assignable to the CO band due to the amorphous component. This observation indicates that the decreases in the crystalline components do not proceed simultaneously with the increase in the amorphous component. In the 3020-2915 cm -1 region where bands due to the asymmetric CH 3 stretching and antisymmetric CH 2 stretching modes are expected to appear, eight bands are identified at 3007, 2995, 2985, 2975, 2967, 2938, 2934, and 2929 cm -1. The bands at 2985 and 2938 cm -1 are ascribed to the amorphous part while the rest come from crystal field splitting, which is a characteristic of polymers with a helical structure.

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

    NASA Astrophysics Data System (ADS)

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

    2006-05-01

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

  3. Two-dimensional correlation analysis of near-infrared spectral intensity variations of ground wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Generalized two-dimensional (2D) correlation analysis was applied to characterize the NIR spectral intensity fluctuations among many spectra of ground wheat with multi-variable variations. Prior to 2D analysis, the spectra having neighboring protein / SDSS reference values were averaged and then new...

  4. Spin Correlations and Excitations in the Quasi-2D Triangular Bilayer Spin Glass LuCoGaO4

    NASA Astrophysics Data System (ADS)

    Fritsch, K.; Granroth, G. E.; Savici, A. T.; Noad, H. M. L.; Dabkowska, H. A.; Gaulin, B. D.

    2012-02-01

    LuCoGaO4 is a layered magnetic-bilayer material wherein Co2+ magnetic moments and nonmagnetic Ga3+ ions are randomly distributed on planar triangular bilayers. This makes it an ideal case to study the interplay between geometric frustration, site disorder and low dimensionality and its influence on the magnetic ground of the system. This novel material has been grown for the first time in single crystal form at McMaster University. We have performed magnetization measurements, revealing a previously identified spin glass transition near Tf˜19K, and a Curie Weiss temperature of Tcw˜-96K, consistent with antiferromagnetic interactions[1]. We discuss time-of-flight neutron scattering measurements using SEQUOIA at SNS which elucidate the evolution of the static and dynamic spin correlations in LuCoGaO4 over a range of temperatures from T<< Tf to T>Tcw. We observe quasielastic scattering at (1/3,1/3,L) positions in reciprocal space and rods of scattering along the c*-direction, consistent with short range antiferromagnetic correlations within decoupled bilayers, and which comfirm the 2-dimensional character of this system. Inelastic scattering measurements show a gapped ˜ 12 meV spin excitation which softens and broadens in energy, filling in the gap on a temperature scale of ˜ Tcw/2. [1] Cava et al., J. Solid State Chem. 140, 337 (1998).

  5. Evaluation on intrinsic quality of licorice influenced by environmental factors by using FTIR combined with 2D-IR correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhou, Ying-qun; Yu, Hua; Zhang, Yan-ling; Sun, Su-qin; Chen, Shi-lin; Zhao, Run-huai; Zhou, Qun; Noda, Isao

    2010-06-01

    To evaluate the intrinsic quality of licorice influenced by environmental factors, the spectral comparison of licorice from two typical ecological habitats was conducted by using FTIR and 2D-IR correlation spectroscopy. There were differences in the peak intensities of 1155, 1076 and 1048 cm -1 of FTIR profiles. The difference was amplified by the second derivative spectrum for the peak intensities at 1370, 1365 and 1317 cm -1 and the peak shape in 958-920 cm -1 and 1050-988 cm -1. The synchronous 2D-IR spectra within the range of 860-1300 cm -1 were classified into type I and type II and their frequency in the two groups was noticeably different. Although the chemical compounds of licorice samples from two areas were generally similar, the contents of starch, calcium oxalate, and some chemical compounds containing alcohol hydroxyl group were different, indicating the influence of precipitation and temperature. This study demonstrates that the systematical analysis of FTIR, the second derivative spectrum and 2D-IR can effectively determine the differences in licorice samples from different ecological habitats.

  6. Nitrite reactivity of the binuclear copper site in T2D Rhus laccase: preparation of half met-NO2- T2D laccase and its correlation to half met-NO2- hemocyanin and tyrosinase.

    PubMed

    Spira, D J; Solomon, E I

    1983-04-29

    Through chemistry directly comparable to that of the hemocyanins and tyrosinase, half met-NO2- T2D laccase derivatives have been prepared; this NO2- reactivity entails both two electron oxidation of the cuprous binuclear site in deoxy T2D laccase and one electron reduction of the coupled cupric site in the met derivative. However, the labile ligand substitution chemistry and lack of dimer formation in half met-NO2- T2D are in marked contrast to behavior of the simpler binuclear copper containing proteins under analagous conditions. This chemistry supports and extends our earlier studies on the ferrocyanide-generated half met T2D which first indicated an inability of exogenous ligands to bridge the binuclear copper site in laccase.

  7. Sodium ion effect on silk fibroin conformation characterized by solid-state NMR and generalized 2D NMR NMR correlation

    NASA Astrophysics Data System (ADS)

    Ruan, Qing-Xia; Zhou, Ping

    2008-07-01

    In the present work, we investigated Na + ion effect on the silk fibroin (SF) conformation. Samples are Na +-involved regenerated silk fibroin films. 13C CP-MAS NMR demonstrates that as added [Na +] increases, partial silk fibroin conformation transit from helix-form to β-form at certain Na + ion concentration which is much higher than that in Bombyx mori silkworm gland. The generalized two-dimensional NMR-NMR correlation analysis reveals that silk fibroin undergoes several intermediate states during its conformation transition process as [Na +] increase. The appearance order of the intermediates is followed as: helix and/or random coil → helix-like → β-sheet-like → β-sheet, which is the same as that produced by pH decrease from 6.8 to 4.8 in the resultant regenerated silk fibroin films. The binding sites of Na + to silk fibroin might involve the carbonyl oxygen atom of certain amino acids sequence which could promote the formation of β-sheet conformation. Since the Na +sbnd O bond is weak, the ability of Na + inducing the secondary structure transition is weaker than those of Ca 2+, Cu 2+ and even K +. It is maybe a reason why the sodium content is much lower than potassium in the silkworm gland.

  8. Studies of minute quantities of natural abundance molecules using 2D heteronuclear correlation spectroscopy under 100kHz MAS

    SciTech Connect

    Nishiyama, Y.; Kobayashi, T.; Malon, M.; Singappuli-Arachchige, D.; Slowing, I. I.; Pruski, M.

    2015-02-16

    Two-dimensional 1H{13C} heteronuclear correlation solid-state NMR spectra of naturally abundant solid materials are presented, acquired using the 0.75-mm magic angle spinning (MAS) probe at spinning rates up to 100 kHz. In spite of the miniscule sample volume (290 nL), high-quality HSQC-type spectra of bulk samples as well as surface-bound molecules can be obtained within hours of experimental time. The experiments are compared with those carried out at 40 kHz MAS using a 1.6-mm probe, which offered higher overall sensitivity due to a larger rotor volume. The benefits of ultrafast MAS in such experiments include superior resolution in 1H dimension without resorting to 1H–1H homonuclear RF decoupling, easy optimization, and applicability to mass-limited samples. As a result, the HMQC spectra of surface-bound species can be also acquired under 100 kHz MAS, although the dephasing of transverse magnetization has significant effect on the efficiency transfer under MAS alone.

  9. Studies of minute quantities of natural abundance molecules using 2D heteronuclear correlation spectroscopy under 100kHz MAS

    DOE PAGES

    Nishiyama, Y.; Kobayashi, T.; Malon, M.; ...

    2015-02-16

    Two-dimensional 1H{13C} heteronuclear correlation solid-state NMR spectra of naturally abundant solid materials are presented, acquired using the 0.75-mm magic angle spinning (MAS) probe at spinning rates up to 100 kHz. In spite of the miniscule sample volume (290 nL), high-quality HSQC-type spectra of bulk samples as well as surface-bound molecules can be obtained within hours of experimental time. The experiments are compared with those carried out at 40 kHz MAS using a 1.6-mm probe, which offered higher overall sensitivity due to a larger rotor volume. The benefits of ultrafast MAS in such experiments include superior resolution in 1H dimensionmore » without resorting to 1H–1H homonuclear RF decoupling, easy optimization, and applicability to mass-limited samples. As a result, the HMQC spectra of surface-bound species can be also acquired under 100 kHz MAS, although the dephasing of transverse magnetization has significant effect on the efficiency transfer under MAS alone.« less

  10. CYP2D6 inhibition by fluoxetine, paroxetine, sertraline, and venlafaxine in a crossover study: intraindividual variability and plasma concentration correlations.

    PubMed

    Alfaro, C L; Lam, Y W; Simpson, J; Ereshefsky, L

    2000-01-01

    The authors report the CYP2D6 inhibitory effects of fluoxetine, paroxetine, sertraline, and venlafaxine in an open-label, multiple-dose, crossover design. Twelve CYP2D6 extensive metabolizers were phenotyped, using the dextromethorphan/dextrorphan (DM/DX) urinary ratio, before and after administration of fluoxetine 60 mg (loading dose strategy), paroxetine 20 mg, sertraline 100 mg, and venlafaxine 150 mg. Paroxetine, sertraline, and venlafaxine sequences were randomized with 2-week washouts between treatments; fluoxetine was the last antidepressant (AD) administered. Comparing within groups, baseline DM/DX ratios (0.017) were significantly lower than DM/DX ratios after treatment (DM/DXAD) with fluoxetine (0.313, p < 0.0001) and paroxetine (0.601, p < 0.0001) but not for sertraline (0.026, p = 0.066) or venlafaxine (0.023, p = 0.485). Between groups, DM/DXAD ratios were significantly higher for fluoxetine and paroxetine compared to sertraline and venlafaxine. No differences between DM/DXAD ratios were found for fluoxetine and paroxetine although more subjects phenocopied to PM status after receiving the latter (42% vs. 83%; chi 2 = 4.44, p = 0.049, df = 1). Similarly, no differences between DM/DXAD ratios were found for sertraline and venlafaxine. Of note, the DM/DXAD for 1 subject was much lower after treatment with paroxetine (0.058) compared to fluoxetine (0.490), while another subject exhibited a much lower ratio after treatment with fluoxetine (0.095) compared to paroxetine (0.397). Significant correlations between AD plasma concentration and DM/DXAD were found for paroxetine (r2 = 0.404, p = 0.026) and sertraline (r2 = 0.64, p = 0.002) but not fluoxetine or venlafaxine. In addition, DM/DXAD correlated with baseline isoenzyme activity for paroxetine, sertraline, and venlafaxine groups. These results demonstrate the potent, but variable, CYP2D6 inhibition of fluoxetine and paroxetine compared to sertraline and venlafaxine. CYP2D6 inhibition may be related, in

  11. Distinction of three wood species by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Anmin; Zhou, Qun; Liu, Junliang; Fei, Benhua; Sun, Suqin

    2008-07-01

    Dalbergia odorifera T. Chen, Pterocarpus santalinus L.F. and Pterocarpus soyauxii are three kinds of the most valuable wood species, which are hard to distinguish. In this paper, differentiation of D. odorifera, P. santalinus and P. soyauxii was carried out by using Fourier transform infrared spectroscopy (FT-IR), second derivative IR spectra and two-dimensional correlation infrared (2D-IR) spectroscopy. The three woods have their characteristic peaks in conventional IR spectra. For example, D. odorifera has obvious absorption peaks at 1640 and 1612 cm -1; P. santalinus has only one peak at 1614 cm -1; and P. soyauxii has one peak at 1619 cm -1 and one shoulder peak at 1597 cm -1. To enhance spectrum resolution and amplify the differences between the IR spectra of different woods, the second derivative technology was adopted to examine the three wood samples. More differences could be observed in the region of 800-1700 cm -1. Then, the thermal perturbation is applied to distinguish different wood samples in an easier way, because of the spectral resolution being enhanced by the 2D correlation spectroscopy. In the region of 1300-1800 cm -1, D. odorifera has five auto-peaks at 1518, 1575, 1594, 1620 and 1667 cm -1; P. santalinus has four auto-peaks at 1469, 1518, 1627 and 1639 cm -1 and P. soyauxii has only two auto-peaks at 1627 and 1639 cm -1. It is proved that the 2D correlation IR spectroscopy can be a new method to distinguish D. odorifera, P. santalinus and P. soyauxii.

  12. Differentiation of Asian ginseng, American ginseng and Notoginseng by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Lu, Guang-hua; Zhou, Qun; Sun, Su-qin; Leung, Kelvin Sze-yin; Zhang, Hao; Zhao, Zhong-zhen

    2008-07-01

    The herbal materials of Asian ginseng (the root of Panax ginseng), American ginseng (the root of Panax quinquefolius) and Notoginseng (the root of Panax notoginseng) were differentiated by conventional Fourier transform infrared spectroscopy (1D-FTIR) and two-dimensional (2D) correlation FTIR applying a thermal perturbation. Altogether 30 samples were collected and analyzed. Their entire 1D-FTIR spectra in the range of 4000-400 cm -1 and 2D-FTIR spectra in the region of 850-1530 cm -1 were generally similar based on the peaks position and intensities. This indicated the chemical constituents in these species of herbs were not distinctively different. However, variation in peak intensity were observed at about 1640 cm -1, 1416 cm -1, 1372 cm -1 and 1048 cm -1 in the 1D-FTIR spectra among these species for their ease differentiation. Clustering analysis of 1D-FTIR showed that these species located in different clusters. Much difference in their second derivative FTIR pattern among the three species also provided information for easy differentiation. These species of herbs were further identified based on the positions and intensities of relatively strong auto-peaks, positive or negative cross-peaks in their 2D-FTIR spectra. The findings provide a rapid and new operational procedure for the differentiation of these notable herbs. The visual and colorful 2D-FTIR spectra can provide dynamic structural information of chemical components in analyte and demonstrated as a powerful and useful approach for herbs identification.

  13. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

    SciTech Connect

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2016-01-21

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t{sub 1} and t{sub 3} periods, respectively. In addition to through-space and through-bond {sup 13}C/{sup 1}H and {sup 13}C/{sup 13}C chemical shift correlations, the 3D {sup 1}H/{sup 13}C/{sup 1}H experiment also provides a COSY-type {sup 1}H/{sup 1}H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices ({sup 1}H/{sup 1}H chemical shift correlation spectrum) at different {sup 13}C chemical shift frequencies from the 3D {sup 1}H/{sup 13}C/{sup 1}H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the

  14. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

    PubMed Central

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2016-01-01

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D 1H/13C/1H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond 13C/1H and 13C/13C chemical shift correlations, the 3D 1H/13C/1H experiment also provides a COSY-type 1H/1H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices (1H/1H chemical shift correlation spectrum) at different 13C chemical shift frequencies from the 3D 1H/13C/1H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D 1H/13C/1H experiment would be useful to study the structure and dynamics of a variety of chemical and biological

  15. A model of adsorption of albumin on the implant surface titanium and titanium modified carbon coatings (MWCNT-EPD). 2D correlation analysis

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra; Stodolak-Zych, Ewa; Piś, Wojciech; Długoń, Elżbieta; Benko, Aleksandra; Błażewicz, Marta

    2016-11-01

    Common materials used as orthopedic implants are titanium and its alloys. To improve its compatibility with the environment of a living organism titanium implant surfaces are covered with bioactive layers of MWCNT. During the insertion into a living organism such material is exposed to direct contact with the patient's blood, which includes proteins - eg. albumin. The adsorption of albumin may constitute one of the early stages of implant surface modification serving cell adhesion. An analysis of this phenomenon in terms of the kinetics of deposition of protein on the surface of the implant confirms its biocompatibility in vivo. The proposed working model of the adsorption of albumin allows for choosing the best of time for the protein to form a stable connection with the surface of the titanium implant. Traditional methods of materials engineering and chemistry allow for the obtaining of information about the presence of a protein on the surface (UV-Vis, the wettability). The application of 2D correlation analysis, in turn, gains insight into the dynamics of the changes associated with the deposition of protein (the formation of a uniform layer, the change in conformation). This analysis has allowed for the selection of an optimal time of protein adsorption to the surface of the implant. Better compatibility with the body of the implant provides its modification by introducing layers that accelerate the material-tissue interactions. Such a composition is a layer of carbon nanotubes (MWCNTs) deposited on titanium by the electrophoretic (EPD) method. Using Raman spectroscopy and analyzing the spectra with the 2D correlation method it is possible to gain insight into the molecular structure of this layer. Our studies indicate that albumin in contact with the surface of titanium has obtained stable conformation after 30 min (confirmed by: UV-Vis, Raman). Shifts of the CH2, CH3 stretching bands position as well as an analysis of the amide I band confirms this

  16. Advanced Photoemission Spectroscopy Investigations Correlated with DFT Calculations on the Self-Assembly of 2D Metal Organic Frameworks Nano Thin Films.

    PubMed

    Elzein, Radwan; Chang, Chun-Min; Ponomareva, Inna; Gao, Wen-Yang; Ma, Shengqian; Schlaf, Rudy

    2016-11-16

    Metal-organic frameworks (MOFs) deposited from solution have the potential to form 2-dimensional supramolecular thin films suitable for molecular electronic applications. However, the main challenges lie in achieving selective attachment to the substrate surface, and the integration of organic conductive ligands into the MOF structure to achieve conductivity. The presented results demonstrate that photoemission spectroscopy combined with preparation in a system-attached glovebox can be used to characterize the electronic structure of such systems. The presented results demonstrate that porphyrin-based 2D MOF structures can be produced and that they exhibit similar electronic structure to that of corresponding conventional porphyrin thin films. Porphyrin MOF multilayer thin films were grown on Au substrates prefunctionalized with 4-mercaptopyridine (MP) via incubation in a glovebox, which was connected to an ultrahigh vacuum system outfitted with photoelectron spectroscopy. The thin film growth process was carried out in several sequential steps. In between individual steps the surface was characterized by photoemission spectroscopy to determine the valence bands and evaluate the growth mode of the film. A comprehensive evaluation of X-ray photoemission spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and inverse photoemission spectroscopy (IPES) data was performed and correlated with density functional theory (DFT) calculations of the density of states (DOS) of the films involved to yield the molecular-level insights into the growth and the electronic properties of MOF-based 2D thin films.

  17. A robust cell counting approach based on a normalized 2D cross-correlation scheme for in-line holographic images.

    PubMed

    Ra, Ho-Kyeong; Kim, Hyungseok; Yoon, Hee Jung; Son, Sang Hyuk; Park, Taejoon; Moon, Sangjun

    2013-09-07

    To achieve the important aims of identifying and marking disease progression, cell counting is crucial for various biological and medical procedures, especially in a Point-Of-Care (POC) setting. In contrast to the conventional manual method of counting cells, a software-based approach provides improved reliability, faster speeds, and greater ease of use. We present a novel software-based approach to count in-line holographic cell images using the calculation of a normalized 2D cross-correlation. This enables fast, computationally-efficient pattern matching between a set of cell library images and the test image. Our evaluation results show that the proposed system is capable of quickly counting cells whilst reliably and accurately following human counting capability. Our novel approach is 5760 times faster than manual counting and provides at least 68% improved accuracy compared to other image processing algorithms.

  18. [Study of thermal perturbation of natural bamboo fiber by two dimensional correlation analysis and Fourier transform infrared spectroscopy].

    PubMed

    Huang, An-min; Wang, Ge; Zhou, Qun; Liu, Jun-liang; Sun, Su-qin

    2008-06-01

    The Fourier transform infrared spectroscopy (FTIR) combined with generalized two-dimensional correlation analysis was applied to study the mini-heating process of natural bamboo fiber. The absorption peaks of natural bamboo fiber and bamboo in the FTIR spectra were different, which showed the contents of lignin and hemicelluloses of natural bamboo fiber was lower than those of bamboo. The changes in absorption peaks of natural bamboo fiber in the FTIR spectra at different temperatures were inconspicuous during heating up from 50 to 120 degrees C, which showed that there was not oxidation reaction in natural bamboo fiber during the process. With the help of 2D correlation analysis, the changes of different groups of natural bamboo fiber and bamboo during heating process were reflected. The strongest autopeak of them was all aroused at 1 665 cm1 in synchronous spectrum. The difference was that there were several weak auto-peaks and cross peaks in the natural bamboo fiber, but in the bamboo, one stronger 5 x 5 group was aroused in the 833-1230 cm(-1). Region the reason was the difference in chemistry composition and the change degree during heating process. In conclusion, the 2D correlation analysis of FTIR can be a new method to analyze the microcosmic dynamic change in the structure of natural bamboo fiber and bamboo during the mini-heating process and also offers an important theory gist for the study of oxidation mechanism of them.

  19. Long-Wavelength Infrared Surface Plasmons on Ga-Doped ZnO Films Excited via 2D Hole Arrays for Extraordinary Optical Transmission (Preprint)

    DTIC Science & Technology

    2013-10-01

    wavelength infrared regime. EOT is facilitated by the excitation of surface plasmon polaritons (SPPs) and can be tuned utilizing the physical...facilitated by the excitation of surface plasmon polaritons (SPPs) and can be tuned utilizing the physical structure size such as period. Pulse laser deposited...plasmonics, infrared, EOT, doped zinc oxides. 1. INTRODUCTION Surface plasmon polaritons (SPPs) are a means of real-time, label-free biosensing

  20. Determination of chemical changes in Isatis indigotica seeds carried after Chinese first spaceship with FTIR and 2D-IR correlation spectroscopy.

    PubMed

    Chen, Xiangdong; Keong, Choong Yew; Mei, Xiling; Lan, Jin

    2014-04-24

    Spaceflight represents a complex environmental condition. Space mutagenesis breeding has achieved and marked certain results over the years. This method was employed in our previous studies in order to obtain improved germplasm of Isatis indigotica. This study is to determine the chemical changes in I. indigotica seeds carried after Chinese first spaceship (Shenzhou I). Fourier transform infrared (FTIR), second derivative and two-dimensional infrared (2DIR) correlation spectroscopy were used in analysis. Not much differences between the two spectra were found except the peaks in the range of 1500-1200 cm(-)(1) which was about 7 cm(-)(1) different and indicated the absorption could be initialed from different bonds. SP4 showed different derivative compared with C4 in the second derivative spectra of 1200-800 cm(-)(1). The stronger signal of 2DIR in SP4 indicated the protein content of the seed was changed after spaceflight. It is concluded that spaceflight provided an extreme condition that caused changes of chemical properties in I. indigotica.

  1. The hybrid A/B type ν12 band of trans-ethylene-1,2-d2 by high-resolution Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Ng, L. L.; Gabona, M. G.

    2015-06-01

    The FTIR absorption spectrum of the hybrid A/B type ν12 band of trans-ethylene-1,2-d2 (trans-C2H2D2) centered at 1298.038145(19) cm-1 in the 1220-1420 cm-1 region was recorded at an unapodized resolution of 0.0063 cm-1. Using Watson's A-reduced Hamiltonian in the Ir representation, a total of 2892 a- and b-type transitions was assigned and fitted to upper state (ν12 = 1) rovibrational constants up to three sextic terms. The b-type feature of the band was analyzed for the first time. The root-mean-square deviation of the upper state ν12 = 1 fit was 0.00037 cm-1 while the accuracy of the measurements of the line frequencies was limited to ±0.00065 cm-1. A set of ground state rovibrational constants up to three sextic terms was also derived from the simultaneous fit of 4597 ground state combination differences from the present analysis and those of the ν4 + ν8 and ν4 bands of trans-C2H2D2 with a root-mean-square deviation of 0.00039 cm-1. The transition dipole moment ratio |μa/μb | of the ν12 band of trans-C2H2D2 was found to be 5.0 ± 0.3.

  2. Further investigation on potassium-induced conformation transition of Nephila spidroin film with two-dimensional infrared correlation spectroscopy.

    PubMed

    Peng, Xianneng; Shao, Zhengzhong; Chen, Xin; Knight, David P; Wu, Peiyi; Vollrath, Fritz

    2005-01-01

    We used two-dimensional (2D) correlation infrared spectroscopy to study further the potassium-induced conformation transition in Nephila spidroin films. It provided increased resolution and important new information on the sequence of events in the conformation transition process, showing that beta-sheet formed from the helical component before they formed from random coil. It also showed more evidence that formation of the 1691 cm(-1) (turn/bend) peak did not proceed with the same kinetics as the 1620 cm(-1) (antiparallel beta-sheet component) one, so we attribute the 1691 cm(-1) peak to turns which formed with different kinetics as the antiparallel beta-sheets. We present a single coherent and detailed hypothesis for the assembly and secondary structural transition of silk proteins in vivo and in vitro based on our findings and on evidence from other laboratories.

  3. Correlation between 3D microstructural and 2D histomorphometric properties of subchondral bone with healthy and degenerative cartilage of the knee joint.

    PubMed

    Lahm, Andreas; Kasch, Richard; Spank, Heiko; Erggelet, Christoph; Esser, Jan; Merk, Harry; Mrosek, Eike

    2014-11-01

    Cartilage degeneration of the knee joint is considered to be a largely mechanically driven process. We conducted a microstructural and histomorphometric analysis of subchondral bone samples of intact cartilage and in samples with early and higher- grade arthritic degeneration to compare the different states and correlate the findings with the condition of hyaline cartilage. These findings will enable us to evaluate changes in biomechanical properties of subchondral bone during the evolution of arthritic degeneration, for which bone density alone is an insufficient parameter. From a continuous series of 80 patients undergoing implantation of total knee endoprosthesis 30 osteochondral samples with lesions macroscopically classified as ICRS grade 1b (group A) and 30 samples with ICRS grade 3a or 3b lesions (group B) were taken. The bone samples were assessed by 2D histomorphometry (semiautomatic image analysis system) and 3D microstructural analysis (high-resolution micro-CT system). The cartilage was examined using the semiquantitative real-time PCR gene expression of collagen type I and II and aggrecan. Both histomorphometry and microstructural and biomechanical analysis of subchondral bone in groups A and B consistently revealed progressive changes of both bone and cartilage compared with healthy controls. The severity of cartilage degeneration as assessed by RT PCR was significantly correlated with BV/TV (Bone Volume Fraction), Tb.Th (Trabecular Thickness) showed a slight increase. Tb.N (Trabecular Number), Tb.Sp (Trabecular separation) SMI (Structure Model Index), Conn.D (Connectivity Density) and DA (Degree of Anisotropy) were inversely correlated. We saw sclerotic transformation and phagocytic reticulum cells. Bone volume fraction decreased with an increasing distance from the cartilage with the differences compared with healthy controls becoming greater in more advanced cartilage damage. The density of subchondral bone alone is considered an unreliable

  4. Dynamics-based selective 2D {sup 1}H/{sup 1}H chemical shift correlation spectroscopy under ultrafast MAS conditions

    SciTech Connect

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2015-05-28

    Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of {sup 1}H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of {sup 1}H/{sup 1}H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.

  5. High Resolution Infrared Spectrum of the ν7+ν8 Band of the Trans-C2H2D2 Molecule

    NASA Astrophysics Data System (ADS)

    Ziatkova, A. G.; Aslapovskaya, Yu. S.; Gromova, O. V.; Bekhtereva, E. S.; Fomchenko, A. L.

    2017-02-01

    High resolution spectrum of the trans-C2H2D2 molecule is analyzed on the basis of the Ground State Combination Difference method in the region 1450-1650 cm-1, in which the hybrid ν7 + ν8 band is located. The analysis is performed in the framework of the model which takes into account the Coriolis interaction with the ν8 + ν10 band. The b-type transitions that in their turn, allow more experimental data on the ν7 + ν8 band to be obtained, are determined for this band for the first time.

  6. Two-dimensional heterospectral correlation analysis of the redox-induced conformational transition in cytochrome c using surface-enhanced Raman and infrared absorption spectroscopies on a two-layer gold surface.

    PubMed

    Zou, Changji; Larisika, Melanie; Nagy, Gabor; Srajer, Johannes; Oostenbrink, Chris; Chen, Xiaodong; Knoll, Wolfgang; Liedberg, Bo; Nowak, Christoph

    2013-08-22

    The heme protein cytochrome c adsorbed to a two-layer gold surface modified with a self-assembled monolayer of 2-mercaptoethanol was analyzed using a two-dimensional (2D) heterospectral correlation analysis that combined surface-enhanced infrared absorption spectroscopy (SEIRAS) and surface-enhanced Raman spectroscopy (SERS). Stepwise increasing electric potentials were applied to alter the redox state of the protein and to induce conformational changes within the protein backbone. We demonstrate herein that 2D heterospectral correlation analysis is a particularly suitable and useful technique for the study of heme-containing proteins as the two spectroscopies address different portions of the protein. Thus, by correlating SERS and SEIRAS data in a 2D plot, we can obtain a deeper understanding of the conformational changes occurring at the redox center and in the supporting protein backbone during the electron transfer process. The correlation analyses are complemented by molecular dynamics calculations to explore the intramolecular interactions.

  7. The 2dF Galaxy Redshift Survey: correlation with the ROSAT-ESO flux-limited X-ray galaxy cluster survey

    NASA Astrophysics Data System (ADS)

    Hilton, Matt; Collins, Chris; De Propris, Roberto; Baldry, Ivan K.; Baugh, Carlton M.; Bland-Hawthorn, Joss; Bridges, Terry; Cannon, Russell; Cole, Shaun; Colless, Matthew; Couch, Warrick J.; Dalton, Gavin B.; Driver, Simon P.; Efstathiou, George; Ellis, Richard S.; Frenk, Carlos S.; Glazebrook, Karl; Jackson, Carole A.; Lahav, Ofer; Lewis, Ian; Lumsden, Stuart; Maddox, Steve J.; Madgwick, Darren; Norberg, Peder; Peacock, John A.; Peterson, Bruce A.; Sutherland, Will; Taylor, Keith

    2005-10-01

    The ROSAT-European Southern Observatory (ESO) flux-limited X-ray (REFLEX) galaxy cluster survey and the Two-degree Field Galaxy Redshift Survey (2dFGRS), respectively, comprise the largest, homogeneous X-ray selected cluster catalogue and completed galaxy redshift survey. In this work, we combine these two outstanding data sets in order to study the effect of the large-scale cluster environment, as traced by X-ray luminosity, on the properties of the cluster member galaxies. We measure the LX-σr relation from the correlated data set and find it to be consistent with recent results found in the literature. Using a sample of 19 clusters with LX>= 0.36 × 1044 erg s-1 in the 0.1-2.4 keV band, and 49 clusters with lower X-ray luminosity, we find that the fraction of early spectral type (η<=-1.4), passively evolving galaxies is significantly higher in the high-LX sample within R200. We extend the investigation to include composite bJ cluster luminosity functions, and find that the characteristic magnitude of the Schechter-function fit to the early-type luminosity function is fainter for the high-LX sample compared to the low-LX sample (ΔM*= 0.58 +/- 0.14). This seems to be driven by a deficit of such galaxies with MbJ~-21. In contrast, we find no significant differences between the luminosity functions of star-forming, late-type galaxies. We believe these results are consistent with a scenario in which the high-LX clusters are more dynamically evolved systems than the low-LX clusters.

  8. Computed Tomography Imaging Spectrometer (CTIS) with 2D Reflective Grating for Ultraviolet to Long-Wave Infrared Detection Especially Useful for Surveying Transient Events

    NASA Technical Reports Server (NTRS)

    Wilson, Daniel W. (Inventor); Maker, Paul D. (Inventor); Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor)

    2003-01-01

    The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for events it is also for investigation of some slow moving phenomena as in the life sciences.

  9. Computed tomography imaging spectrometer (CTIS) with 2D reflective grating for ultraviolet to long-wave infrared detection especially useful for surveying transient events

    NASA Technical Reports Server (NTRS)

    Wilson, Daniel W. (Inventor); Maker, Paul D. (Inventor); Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor)

    2003-01-01

    The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for rapidly occurring events it is also useful for investigation of some slow moving phenomena as in the life sciences.

  10. Fast Assembly of Gold Nanoparticles in Large-Area 2D Nanogrids Using a One-Step, Near-Infrared Radiation-Assisted Evaporation Process.

    PubMed

    Utgenannt, André; Maspero, Ross; Fortini, Andrea; Turner, Rebecca; Florescu, Marian; Jeynes, Christopher; Kanaras, Antonios G; Muskens, Otto L; Sear, Richard P; Keddie, Joseph L

    2016-02-23

    When fabricating photonic crystals from suspensions in volatile liquids using the horizontal deposition method, the conventional approach is to evaporate slowly to increase the time for particles to settle in an ordered, periodic close-packed structure. Here, we show that the greatest ordering of 10 nm aqueous gold nanoparticles (AuNPs) in a template of larger spherical polymer particles (mean diameter of 338 nm) is achieved with very fast water evaporation rates obtained with near-infrared radiative heating. Fabrication of arrays over areas of a few cm(2) takes only 7 min. The assembly process requires that the evaporation rate is fast relative to the particles' Brownian diffusion. Then a two-dimensional colloidal crystal forms at the falling surface, which acts as a sieve through which the AuNPs pass, according to our Langevin dynamics computer simulations. With sufficiently fast evaporation rates, we create a hybrid structure consisting of a two-dimensional AuNP nanoarray (or "nanogrid") on top of a three-dimensional polymer opal. The process is simple, fast, and one-step. The interplay between the optical response of the plasmonic Au nanoarray and the microstructuring of the photonic opal results in unusual optical spectra with two extinction peaks, which are analyzed via finite-difference time-domain method simulations. Comparison between experimental and modeling results reveals a strong interplay of plasmonic modes and collective photonic effects, including the formation of a high-order stopband and slow-light-enhanced plasmonic absorption. The structures, and hence their optical signatures, are tuned by adjusting the evaporation rate via the infrared power density.

  11. Planck 2015 results. XXIII. The thermal Sunyaev-Zeldovich effect-cosmic infrared background correlation

    NASA Astrophysics Data System (ADS)

    Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Arnaud, M.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Bartolo, N.; Battaner, E.; Benabed, K.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bock, J. J.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Burigana, C.; Butler, R. C.; Calabrese, E.; Catalano, A.; Chamballu, A.; Chiang, H. C.; Christensen, P. R.; Churazov, E.; Clements, D. L.; Colombo, L. P. L.; Combet, C.; Comis, B.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Dickinson, C.; Diego, J. M.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Ducout, A.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Finelli, F.; Flores-Cacho, I.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Galeotta, S.; Galli, S.; Ganga, K.; Génova-Santos, R. T.; Giard, M.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Hansen, F. K.; Harrison, D. L.; Helou, G.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Hornstrup, A.; Hovest, W.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Langer, M.; Lasenby, A.; Lattanzi, M.; Lawrence, C. R.; Leonardi, R.; Levrier, F.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Maggio, G.; Maino, D.; Mak, D. S. Y.; Mandolesi, N.; Mangilli, A.; Maris, M.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Melchiorri, A.; Mennella, A.; Migliaccio, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Nati, F.; Natoli, P.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Partridge, B.; Pasian, F.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Pratt, G. W.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reinecke, M.; Remazeilles, M.; Renault, C.; Renzi, A.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Rossetti, M.; Roudier, G.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Spencer, L. D.; Stolyarov, V.; Stompor, R.; Sunyaev, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Wehus, I. K.; Welikala, N.; Yvon, D.; Zacchei, A.; Zonca, A.

    2016-09-01

    We use Planck data to detect the cross-correlation between the thermal Sunyaev-Zeldovich (tSZ) effect and the infrared emission from the galaxies that make up the the cosmic infrared background (CIB). We first perform a stacking analysis towards Planck-confirmed galaxy clusters. We detect infrared emission produced by dusty galaxies inside these clusters and demonstrate that the infrared emission is about 50% more extended than the tSZ effect. Modelling the emission with a Navarro-Frenk-White profile, we find that the radial profile concentration parameter is c500 = 1.00+0.18-0.15 . This indicates that infrared galaxies in the outskirts of clusters have higher infrared flux than cluster-core galaxies. We also study the cross-correlation between tSZ and CIB anisotropies, following three alternative approaches based on power spectrum analyses: (i) using a catalogue of confirmed clusters detected in Planck data; (ii) using an all-sky tSZ map built from Planck frequency maps; and (iii) using cross-spectra between Planck frequency maps. With the three different methods, we detect the tSZ-CIB cross-power spectrum at significance levels of (i) 6σ; (ii) 3σ; and (iii) 4σ. We model the tSZ-CIB cross-correlation signature and compare predictions with the measurements. The amplitude of the cross-correlation relative to the fiducial model is AtSZ-CIB = 1.2 ± 0.3. This result is consistent with predictions for the tSZ-CIB cross-correlation assuming the best-fit cosmological model from Planck 2015 results along with the tSZ and CIB scaling relations.

  12. Trends in Correlation-Based Pattern Recognition and Tracking in Forward-Looking Infrared Imagery

    PubMed Central

    Alam, Mohammad S.; Bhuiyan, Sharif M. A.

    2014-01-01

    In this paper, we review the recent trends and advancements on correlation-based pattern recognition and tracking in forward-looking infrared (FLIR) imagery. In particular, we discuss matched filter-based correlation techniques for target detection and tracking which are widely used for various real time applications. We analyze and present test results involving recently reported matched filters such as the maximum average correlation height (MACH) filter and its variants, and distance classifier correlation filter (DCCF) and its variants. Test results are presented for both single/multiple target detection and tracking using various real-life FLIR image sequences. PMID:25061840

  13. Infrared image processing devoted to thermal non-contact characterization-Applications to Non-Destructive Evaluation, Microfluidics and 2D source term distribution for multispectral tomography

    NASA Astrophysics Data System (ADS)

    Batsale, Jean-Christophe; Pradere, Christophe

    2015-11-01

    The cost of IR cameras is more and more decreasing. Beyond the preliminary calibration step and the global instrumentation, the infrared image processing is then one of the key step for achieving in very broad domains. Generally the IR images are coming from the transient temperature field related to the emission of a black surface in response to an external or internal heating (active IR thermography). The first applications were devoted to the so called thermal Non-Destructive Evaluation methods by considering a thin sample and 1D transient heat diffusion through the sample (transverse diffusion). With simplified assumptions related to the transverse diffusion, the in-plane diffusion and transport phenomena can be also considered. A general equation can be applied in order to balance the heat transfer at the pixel scale or between groups of pixels in order to estimate several fields of thermophysical properties (heterogeneous field of in-plane diffusivity, flow distributions, source terms). There is a lot of possible strategies to process the space and time distributed big amount of data (previous integral transformation of the images, compression, elimination of the non useful areas...), generally based on the necessity to analyse the derivative versus space and time of the temperature field. Several illustrative examples related to the Non-Destructive Evaluation of heterogeneous solids, the thermal characterization of chemical reactions in microfluidic channels and the design of systems for multispectral tomography, will be presented.

  14. Correlation of quality measurements to visible-near infrared spectra of pasteurized egg

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using ch...

  15. Chemometric correlation of shelf life, quality measurements, and visible-near infrared spectra of pasteurized eggs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using pr...

  16. Two-dimensional attenuated total reflection infrared correlation spectroscopy study of desorption process of water-soaked cotton fibers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of native cotton fibers with various water contents. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity ...

  17. Near-infrared digital photography to estimate snow correlation length for microwave emission modeling.

    PubMed

    Toure, Ally Mounirou; Goïta, Kalifa; Royer, Alain; Mätzler, Christian; Schneebeli, Martin

    2008-12-20

    The study is based on experimental work conducted in alpine snow. We made microwave radiometric and near-infrared reflectance measurements of snow slabs under different experimental conditions. We used an empirical relation to link near-infrared reflectance of snow to the specific surface area (SSA), and converted the SSA into the correlation length. From the measurements of snow radiances at 21 and 35 GHz, we derived the microwave scattering coefficient by inverting two coupled radiative transfer models (the sandwich and six-flux model). The correlation lengths found are in the same range as those determined in the literature using cold laboratory work. The technique shows great potential in the determination of the snow correlation length under field conditions.

  18. Identification of authentic and adulterated Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation analysis

    NASA Astrophysics Data System (ADS)

    Qu, Lei; Chen, Jian-bo; Zhou, Qun; Zhang, Gui-jun; Sun, Su-qin; Guo, Yi-zhen

    2016-11-01

    As a kind of expensive perfume and valuable herb, the commercial Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy and two-dimensional (2D) correlation analysis are employed to establish a simple and quick identification method for the authentic and adulterated ALR. In the conventional infrared spectra, the standard ALR has a strong peak at 1658 cm-1 referring to the conjugated carbonyl of resin, while this peak is absent in the adulterated samples. The position, intensity, and shape of the auto-peaks and cross-peaks of the authentic and adulterated ALR are much different in the synchronous 2D correlation spectra with thermal perturbation. In the range of 1700-1500 cm-1, the standard ALR has four obvious auto-peaks, while the strongest one is at 1659 cm-1. The adulterated sample w-1 has three obvious auto-peaks and the strongest one is at 1647 cm-1. The adulterated sample w-2 has three obvious auto-peaks and the strongest one is at 1519 cm-1. The adulterated sample w-3 has four obvious auto-peaks and the strongest one is at 1690 cm-1. The above auto-peaks confirm that the standard ALR contains a certain content of resin compounds, while the three counterfeits contain little or different resins. The results show the potential of FT-IR spectroscopy and 2D correlation analysis in the simple and quick identification of authentic and adulterated ALR.

  19. Identification of geographical origin of Lignosus samples using Fourier transform infrared and two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Choong, Yew-Keong; Xu, Chang-Hua; Lan, Jin; Chen, Xiang-Dong; Jamal, Jamia Azdina

    2014-07-01

    Lignosus spp. is a medicinal mushroom that has been used as a folk remedy for 'clearing heat', eliminating phlegm, 'moistening the lungs' and as an anti-breast cancer agent. The objective of this study was to identify the active chemical constituents of the mushroom limited number of sample by using Fourier transform infrared (FTIR) and two-dimensional correlation Fourier transform infrared spectroscopy (2DIR). The sample M26/08 was purchased from a Chinese medicine shop in Kuala Lumpur, while M49/07 and M23/08 were collected from Semenyih and Kuala Lipis respectively. The three samples have strong absorption peaks corresponding to the stretching vibration of conjugated carbonyl Cdbnd O group. Both fresh sample M49/07 and M23/08 showed an identical peak of 1655 cm-1, whereby M26/08 contained stretching vibration of 1648 cm-1. The peaks from 1260 cm-1 onwards were assignation of carbohydrate content including saccharides. Spectrum of M26/08 showed region from 1260 cm-1 to 950 cm-1 which was 99.4% similar to M23/08. The chemical constitutes of M26/08 and M23/08 were closely correlated (r = 0.97), whereas the correlation coefficient of M26/08 and M49/07 was 0.94. The use of second derivative and 2DIR spectroscopy enhanced the distinct differences to a more significant level. Although the geographical origin of M26/08 was unknown, its origin was determined by comparing with M49/07 and M23/08. The visual and colorful 2DIR spectra provided dynamic structural information of the chemical components analyzed and demonstrated a powerful and useful approach using the spectroscopy of different samples.

  20. Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C2H4) and D4-Ethylene (C2D4) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2017-02-01

    The processing of the hydrocarbon ice, ethylene (C2H4/C2D4), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH4 (CD4)], acetylene [C2H2 (C2D2)], the ethyl radical [C2H5 (C2D5)], ethane [C2H6 (C2D6)], 1-butene [C4H8 (C4D8)], and n-butane [C4H10 (C4D10)]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C n H2n+2 (n = 4–10), C n H2n (n = 2–12, 14, 16), C n H2n‑2 (n = 3–12, 14, 16), C n H2n‑4 (n = 4–12, 14, 16), C n H2n‑6 (n = 4–10, 12), C n H2n‑8 (n = 6–10), and C n H2n‑10 (n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C3H4) or 1, 3-butadiene (C4H6) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical environments.

  1. Correlative infrared-electron nanoscopy reveals the local structure-conductivity relationship in zinc oxide nanowires

    NASA Astrophysics Data System (ADS)

    Stiegler, J. M.; Tena-Zaera, R.; Idigoras, O.; Chuvilin, A.; Hillenbrand, R.

    2012-10-01

    High-resolution characterization methods play a key role in the development, analysis and optimization of nanoscale materials and devices. Because of the various material properties, only a combination of different characterization techniques provides a comprehensive understanding of complex functional materials. Here we introduce correlative infrared-electron nanoscopy, a novel method yielding transmission electron microscope and infrared near-field images of one and the same nanostructure. While transmission electron microscopy provides structural information up to the atomic level, infrared near-field imaging yields nanoscale maps of chemical composition and conductivity. We demonstrate the method's potential by studying the relation between conductivity and crystal structure in ZnO nanowire cross-sections. The combination of infrared conductivity maps and the local crystal structure reveals a radial free-carrier gradient, which inversely correlates to the density of extended crystalline defects. Our method opens new avenues for studying the local interplay between structure, conductivity and chemical composition in widely different material systems.

  2. Cross-Correlating the Cosmic Infrared and Cosmic X-Ray Background Fluctuations

    NASA Astrophysics Data System (ADS)

    Cooper, Rachel Ann; Cappelluti, Nico; Li, Yanxia; Urry, C. Megan; Guo, Joyce

    2017-01-01

    Studying unresolved (i.e., undetected) sources is a way to probe the faintest, and thus the least understood, source populations. In particular, such studies have suggested a population of high redshift accreting black holes. We present cross-power spectra and coherence between the cosmic infrared and cosmic x-ray background fluctuations, using infrared images from Spitzer Space Telescope and x-ray images from XMM-Newton of the ˜2 square degree area of the COSMOS field. We first masked all known sources and subtracted model images of the masked x-ray sources’ PSF tails so as to isolate the unresolved cosmic backgrounds. We have considered infrared data from two bands, 3.6 and 4.5 μm, and x-ray data from five bands, [0.3-0.5], [0.5-1], [1-2], [0.5-2], and [2-10] keV. We find strong correlation between the cosmic infrared and cosmic x-ray backgrounds, which suggests an origin in a common population, i.e., stars and/or growing black holes.

  3. The subarcsecond mid-infrared view of local active galactic nuclei - II. The mid-infrared-X-ray correlation

    NASA Astrophysics Data System (ADS)

    Asmus, D.; Gandhi, P.; Hönig, S. F.; Smette, A.; Duschl, W. J.

    2015-11-01

    We present an updated mid-infrared (MIR) versus X-ray correlation for the local active galactic nuclei (AGN) population based on the high angular resolution 12 and 18μm continuum fluxes from the AGN subarcsecond MIR atlas and 2-10 keV and 14-195 keV data collected from the literature. We isolate a sample of 152 objects with reliable AGN nature and multi-epoch X-ray data and minimal MIR contribution from star formation. Although the sample is not homogeneous or complete, we show that our results are unlikely to be affected by significant biases. The MIR-X-ray correlation is nearly linear and within a factor of 2 independent of the AGN type and the wavebands used. The observed scatter is <0.4 dex. A possible flattening of the correlation slope at the highest luminosities probed (˜1045 erg s-1) towards low MIR luminosities for a given X-ray luminosity is indicated but not significant. Unobscured objects have, on average, an MIR-X-ray ratio that is only ≤0.15 dex higher than that of obscured objects. Objects with intermediate X-ray column densities (22 < log NH < 23) actually show the highest MIR-X-ray ratio on average. Radio-loud objects show a higher mean MIR-X-ray ratio at low luminosities while the ratio is lower than average at high luminosities. This may be explained by synchrotron emission from the jet contributing to the MIR at low luminosities and additional X-ray emission at high luminosities. True Seyfert 2 candidates do not show any deviation from the general behaviour suggesting that they possess a dusty obscurer as in other AGN. Double AGN also do not deviate. Finally, we show that the MIR-X-ray correlation can be used to investigate the AGN nature of uncertain objects. Specifically, we give equations that allow us to determine the intrinsic 2-10 keV luminosities and column densities for objects with complex X-ray properties to within 0.34 dex. These techniques are applied to the uncertain objects of the remaining AGN MIR atlas, demonstrating the

  4. Automation and validation of micronucleus detection in the 3D EpiDerm™ human reconstructed skin assay and correlation with 2D dose responses

    PubMed Central

    Chapman, K. E.; Thomas, A. D.; Jenkins, G. J. S.

    2014-01-01

    Recent restrictions on the testing of cosmetic ingredients in animals have resulted in the need to test the genotoxic potential of chemicals exclusively in vitro prior to licensing. However, as current in vitro tests produce some misleading positive results, sole reliance on such tests could prevent some chemicals with safe or beneficial exposure levels from being marketed. The 3D human reconstructed skin micronucleus (RSMN) assay is a promising new in vitro approach designed to assess genotoxicity of dermally applied compounds. The assay utilises a highly differentiated in vitro model of the human epidermis. For the first time, we have applied automated micronucleus detection to this assay using MetaSystems Metafer Slide Scanning Platform (Metafer), demonstrating concordance with manual scoring. The RSMN assay’s fixation protocol was found to be compatible with the Metafer, providing a considerably shorter alternative to the recommended Metafer protocol. Lowest observed genotoxic effect levels (LOGELs) were observed for mitomycin-C at 4.8 µg/ml and methyl methanesulfonate (MMS) at 1750 µg/ml when applied topically to the skin surface. In-medium dosing with MMS produced a LOGEL of 20 µg/ml, which was very similar to the topical LOGEL when considering the total mass of MMS added. Comparisons between 3D medium and 2D LOGELs resulted in a 7-fold difference in total mass of MMS applied to each system, suggesting a protective function of the 3D microarchitecture. Interestingly, hydrogen peroxide (H2O2), a positive clastogen in 2D systems, tested negative in this assay. A non-genotoxic carcinogen, methyl carbamate, produced negative results, as expected. We also demonstrated expression of the DNA repair protein N-methylpurine-DNA glycosylase in EpiDerm™. Our preliminary validation here demonstrates that the RSMN assay may be a valuable follow-up to the current in vitro test battery, and together with its automation, could contribute to minimising unnecessary in

  5. A new approach to the radio-far infrared correlation for non-calorimeter galaxies.

    NASA Astrophysics Data System (ADS)

    Niklas, S.; Beck, R.

    1997-04-01

    New radio continuum data for a sample of 74 spiral galaxies supports the calorimeter model of Voelk (1989A&A...218...67V) only for steep-spectrum, thin-disk, non-interacting objects which comprise =~30% of the sample. As the spectral indices correlate neither with far infrared surface brightness nor with average (equipartition) magnetic field strength, the data disagree with the model for non-calorimeter galaxies of Helou & Bicay (1993ApJ...415...93H). We are able to explain the radio - far infrared correlation for non-calorimeter galaxies, globally and also on kiloparsec scales within galaxies, with the help of two basic relations with the average volume density of the gas as the primary factor. Firstly, there is strong evidence that the strength of the equipartition magnetic field is correlated with the volume density ρ of the (almost) neutral gas, following a power law with an exponent of m=0.48+/-0.05 for the galactic averages of our sample. Secondly, taking the thermal radio emissivity as an indicator of the average star-formation rate (SFR), we obtain a `Schmidt law' (SFR{prop.to}ρ^n^) with n=1.4+/-0.3. The FIR luminosity is linearly related to SFR. Finally, we assume equipartition between the energy densities of the magnetic field and of the cosmic rays which relates the synchrotron emissivity to the field strength. Combination of these relations leads to a radio - far infrared luminosity correlation with a power-law exponent of x=1.3+/-0.3, very close to what is observed (x=1.25+/-0.08). Forthcoming ISO satellite data can be used as a test of our approach.

  6. Influence of basis sets and electron correlation on theoretically predicted infrared intensities

    SciTech Connect

    Miller, M.D. ); Jensen, F. ); Chapman, O.L.; Houk, K.N. )

    1989-06-01

    A systematic study of the effects of basis sets and electron correlation on calculated infrared intensities has been performed with ab initio molecular orbital calculations and Moeller-Plesset perturbation theory. Absolute IR intensities of hydrogen fluoride, hydroxy radical, carbon monoxide, hydrogen cyanide, and formaldehyde have been calculated with basis sets ranging from 3-21G to 6-311++G(2dd{prime},2pp{prime}) and with electron correlation corrections up through MP4(SDTQ). A basis set with polarization and diffuse functions is necessary to obtain reasonably accurate intensities. Electron correlation significantly improves the agreement between experimental and calculated values. Except for carbon monoxide, the intensities calculated at the MP4 level compare favorably with experimental intensities, the errors being less than the measured difference between those obtained from inert-gas matrices at low temperature and those reported for the gas phase.

  7. Prediction of {sup 2}D Rydberg energy levels of {sup 6}Li and {sup 7}Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

    SciTech Connect

    Bubin, Sergiy; Sharkey, Keeper L.; Adamowicz, Ludwik

    2013-04-28

    Very accurate variational nonrelativistic finite-nuclear-mass calculations employing all-electron explicitly correlated Gaussian basis functions are carried out for six Rydberg {sup 2}D states (1s{sup 2}nd, n= 6, Horizontal-Ellipsis , 11) of the {sup 7}Li and {sup 6}Li isotopes. The exponential parameters of the Gaussian functions are optimized using the variational method with the aid of the analytical energy gradient determined with respect to these parameters. The experimental results for the lower states (n= 3, Horizontal-Ellipsis , 6) and the calculated results for the higher states (n= 7, Horizontal-Ellipsis , 11) fitted with quantum-defect-like formulas are used to predict the energies of {sup 2}D 1s{sup 2}nd states for {sup 7}Li and {sup 6}Li with n up to 30.

  8. Correlation of CpG Island Methylation of the Cytochrome P450 2E1/2D6 Genes with Liver Injury Induced by Anti-Tuberculosis Drugs: A Nested Case-Control Study

    PubMed Central

    Zhang, Jinling; Zhu, Xuebin; Li, Yuhong; Zhu, Lingyan; Li, Shiming; Zheng, Guoying; Ren, Qi; Xiao, Yonghong; Feng, Fumin

    2016-01-01

    This study investigated the role of CpG island methylation of the CYP2E1 and CYP2D6 genes in liver injury induced by anti-TB drugs from an epigenetic perspective in a Chinese cohort. A 1:1 matched nested case-control study design was applied. Pulmonary tuberculosis (TB) patients, who underwent standard anti-TB therapy and developed liver injury were defined as cases, while those who did not develop liver injury were defined as control. The two groups were matched in terms of sex, treatment regimen, and age. In 114 pairs of cases, CpG island methylation levels of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of anti-TB drug-induced liver injury (ADLI), with odds ratio (OR) values of 2.429 and 3.500, respectively (p < 0.01). Moreover, through multivariate logistic regression analysis, CpG island methylation of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA were found to be significantly correlated with the occurrence of ADLI, with adjusted OR values of 4.390 (95% confidence interval (CI): 1.982–9.724) and 9.193 (95% CI: 3.624–25.888), respectively (p < 0.001). These results suggest that aberrantly elevated methylation of CpG islands of the CYP2E1 and CYP2D6 genes in plasma cell-free DNA may increase the risk of ADLI in Chinese TB patients. PMID:27490558

  9. [Study on the identification of radix scutellariae and extract using Fourier transform infrared spectroscopy and two-dimensional IR correlation spectroscopy].

    PubMed

    Zhang, Chun-hui; Zhang, Gui-jun; Sun, Su-qin; Tu, Ya

    2010-07-01

    2D-IR correlation spectroscopy was used to do the research on crude and prepared drug of radix scutellariae and the extracts of them. The results show that the holistic shape of peaks among them are similar in the FTIR spectra. In second derivative spectra, the two absorption peaks: 1,745 and 1,411 cm(-1) of processed products move to the bigger wavenumber direction, while 1,357 cm(-1) of processed products moves to the smaller wavenumber direction; There are conspicuous differences in Two-dimensional infrared correlation spectroscopy among them: Four characteristic peaks are shown between 1,300 and 1,800 cm(-1). The intensity of peak at 1,575 cm(-1) is the strongest. There are three main districts about the autopeaks of sliced scutellariae. Wine-fried scutellariae has two auto-peak districts, in which all the auto-peaks are positively correlated. The FTIR spectra of total glycoside extract of different samples present characteristic peaks at 1,615, 1,585, 1,450 cm(-1) (vibration of phenyl framework) and 1,658 cm(-1) (=C-O ) respectively, therefore, the authors speculated that their mutual component is the compound of phenolic glycoside. The two-dimensional infrared correlation spectra present five automatic peaks (vibration of phenyl framework) in 800-1,800 cm(-1) (1,366, 1,420, 1,508, 1,585, 1,669 cm(-1)). So the authors can conclude that a lot of information can be provided by macro-fingerprint technology of infrared spectroscopy which can evaluate overall quality of radix scutellariae accurately and be used to study the characteristics of relevance of crude and prepared scutellariae.

  10. Strong Solar Control of Infrared Aurora on Jupiter: Correlation Since the Last Solar Maximum

    NASA Technical Reports Server (NTRS)

    Kostiuk, T.; Livengood, T. A.; Hewagama, T.

    2009-01-01

    Polar aurorae in Jupiter's atmosphere radiate throughout the electromagnetic spectrum from X ray through mid-infrared (mid-IR, 5 - 20 micron wavelength). Voyager IRIS data and ground-based spectroscopic measurements of Jupiter's northern mid-IR aurora, acquired since 1982, reveal a correlation between auroral brightness and solar activity that has not been observed in Jovian aurora at other wavelengths. Over nearly three solar cycles, Jupiter auroral ethane emission brightness and solar 10.7 cm radio flux and sunspot number are positively correlated with high confidence. Ethane line emission intensity varies over tenfold between low and high solar activity periods. Detailed measurements have been made using the GSFC HIPWAC spectrometer at the NASA IRTF since the last solar maximum, following the mid-IR emission through the declining phase toward solar minimum. An even more convincing correlation with solar activity is evident in these data. Current analyses of these results will be described, including planned measurements on polar ethane line emission scheduled through the rise of the next solar maximum beginning in 2009, with a steep gradient to a maximum in 2012. This work is relevant to the Juno mission and to the development of the Europa Jupiter System Mission. Results of observations at the Infrared Telescope Facility (IRTF) operated by the University of Hawaii under Cooperative Agreement no. NCC5-538 with the National Aeronautics and Space Administration, Science Mission Directorate, Planetary Astronomy Program. This work was supported by the NASA Planetary Astronomy Program.

  11. Correlation Study Of Diffenrential Skin Temperatures (DST) For Ovulation Detection Using Infra-Red Thermography

    NASA Astrophysics Data System (ADS)

    Rao, K. H. S.; Shah, A. v.; Ruedi, B.

    1982-11-01

    The importance of ovulation time detection in the Practice of Natural Birth Control (NBC) as a contraceptive tool, and for natural/artificial insemination among women having the problem of in-fertility, is well known. The simple Basal Body Temperature (BBT) method of ovulation detection is so far unreliable. A newly proposed Differential Skin Temperature (DST) method may help minimize disturbing physiological effects and improve reliability. This paper explains preliminary results of a detailed correlative study on the DST method, using Infra-Red Thermography (IRT) imaging, and computer analysis techniques. Results obtained with five healthy, normally menstruating women volunteers will be given.

  12. Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

    NASA Astrophysics Data System (ADS)

    Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A. I.; Vrakking, M. J. J.; Rouzée, A.

    2015-10-01

    When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light.

  13. Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

    PubMed Central

    Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A.I.; Vrakking, M.J.J.; Rouzée, A.

    2015-01-01

    When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light. PMID:26469997

  14. Near Infrared Activity Close to the Crab Pulsar Correlated with Giant Gamma-ray Flares

    NASA Technical Reports Server (NTRS)

    Rudy, Alexander R.; Max, Claire E.; Weisskopf, Martin C.

    2014-01-01

    We describe activity observed in the near-infrared correlated with a giant gamma-ray flare in the Crab Pulsar. The Crab Pulsar has been observed by the Fermi and AGILE satellites to flare for a period of 3 to 7 days, once every 1-1.5 years, increasing in brightness by a factor of 3-10 between 100MeV and 1GeV. We used Keck NIRC2 laser guide star adaptive optics imaging to observe the Crab Pulsar and environs before and during the March 2013 flare. We discuss the evidence for the knot as the location of the flares, and the theoretical implications of these observations. Ongoing target-of-opportunity programs hope to confirm this correlation for future flares.

  15. An investigation of the oxidation mechanism of abietic acid using two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Ren, Fan; Zheng, Yan-Fei; Liu, Xiong-Min; Yue, Xin-Yin; Ma, Li; Li, Wei-Guang; Lai, Fang; Liu, Jia-Ling; Guan, Wen-Long

    2015-03-01

    The oxidation behavior of abietic acid was monitored by FT-IR and UV spectroscopy, using a novel, self-designed, gas-solid reactor, and the data was analyzed by 2D-IR. The hetero-spectral two-dimensional correlation of the FTIR data allowed the use of well-established band assignments to interpret less clearly assigned spectral features. Characteristic changes in the conjugated bond and the active methylene in abietic acid were revealed, and a mechanism was proposed. We concluded that the methylene at C7 was first transformed to a hydroxyl, thereby inducing the isomerization of the conjugated band. Meanwhile, the methylene at C12 was converted by an oxygen atom to a hydroxyl intermediate. Hydrogen continued to react with oxygen to form Cdbnd O and water. Finally, the conjugated band was converted into a peroxide before transforming into an oxidant.

  16. Investigating potential correlations between jet engine noise and plume dynamics in the hypertemporal infrared domain

    NASA Astrophysics Data System (ADS)

    Cunio, Phillip M.; Weber, Reed; Knobel, Kimberly; Wager, Jason; Lopez, Gerardo

    2014-09-01

    Jet engine noise can be a hazard and environmental pollutant, affecting personnel working in close proximity to jet engines. Mitigating the effects of jet engine noise could reduce the potential for hearing loss in runway workers, but engine noise is not yet sufficiently well-characterized that it can easily be mitigated for new engine designs. That is, there exists a very complex relationship between jet engine design parameters, operating conditions, and resultant noise power levels. In this paper, we propose to evaluate the utility of high-speed imaging (also called hypertemporal imaging) in correlating the infrared signatures of jet aircraft engines with acoustic noise from the jet engines. This paper will focus on a theoretical analysis of jet engine infrared signatures, and will define potentially-detectable characteristics of such signatures in the hypertemporal domain. A systematic test campaign to determine whether such signatures actually exist and can be correlated with acoustic jet engine characteristics will be proposed. The detection of any hypertemporal signatures in association with acoustic signatures of jet engines will enable the use of a new domain in characterizing jet engine noise. This may in turn enable new methods of predicting or mitigating jet engine noise, which could lead to benefits for operators of large numbers of jet engines.

  17. A rapid-pressure correlation representation consistent with the Taylor-Proudman theorem materially-frame-indifferent in the 2D limit

    NASA Technical Reports Server (NTRS)

    Ristorcelli, J. R.; Lumley, J. L.; Abid, R.

    1994-01-01

    A nonlinear representation for the rapid-pressure correlation appearing in the Reynolds stress equations, consistent with the Taylor-Proudman theorem, is presented. The representation insures that the modeled second-order equations are frame-invariant with respect to rotation when the flow is two-dimensional in planes perpendicular to the axis of rotation. The representation satisfies realizability in a new way: a special ansatz is used to obtain analytically, the values of coefficients valid away from the realizability limit: the model coefficients are functions of the state of the turbulence that are valid for all states of the mechanical turbulence attaining their constant limiting values only when the limit state is achieved. Utilization of all the mathematical constraints are not enough to specify all the coefficients in the model. The unspecified coefficients appear as free parameters which are used to insure that the representation is asymptotically consistent with the known equilibrium states of a homogeneous sheared turbulence. This is done by insuring that the modeled evolution equations have the same fixed points as those obtained from computer and laboratory experiments for the homogeneous shear. Results of computations of the homogeneous shear, with and without rotation, and with stabilizing and destabilizing curvature, are shown. Results are consistently better, in a wide class of flows which the model not been calibrated, than those obtained with other nonlinear models.

  18. Characterization of transform faults within the South Georgia Rift using 2-D seismic line SCO2-3 correlated with well data

    NASA Astrophysics Data System (ADS)

    Mccormack, K. A.; Heffner, D. M.; Knapp, J. H.

    2012-12-01

    The South Georgia Rift Basin (SGR) has long been thought to be relatively simple on terms of its geology: with coastal plain sediments that vary gradually in thickness overlying a relatively uniform basalt province known as the "J-horizon". However recent re-examination of well data collected throughout the SGR suggests there are a number of generally NW-SE striking transform faults within the area due to the fact that the depth of the coastal plain sediments vary drastically over short lateral distances. (Hefner, D.M., 2011) To better understand these anomalies, we interpret the seismic line SCO2-3 collected in 2010 that looks to cross a transform fault at a high angle. By doing so and correlating it with available well and gravity data we will contribute to a better understanding of the South Georgia Rift (SGR) by determining the location and orientation of this transform fault. These possible faults are currently only constrained by well data and thus their exact strike, location and extent remain poorly understood. The characterization of the transform faults within this area is important due to the possibility of CO2 sequestration in parts of the SGR. It has also been suggested that the transform faults cutting through the SGR may line up with, and have originally been connected to, the transform faults that are found along the Mid Atlantic Ridge today. A better understanding of the extent, orientation and movement of these faults through seismic studies is essential to understanding the overall geology of the Sough Georgia Rift Basin.

  19. Correlation between near infrared spectroscopy and electrical techniques in measuring skin moisture content

    NASA Astrophysics Data System (ADS)

    Mohamad, M.; Sabbri, A. R. M.; Mat Jafri, M. Z.; Omar, A. F.

    2014-11-01

    Near infrared (NIR) spectroscopy technique serves as an important tool for the measurement of moisture content of skin owing to the advantages it has over the other techniques. The purpose of the study is to develop a correlation between NIR spectrometer with electrical conventional techniques for skin moisture measurement. A non-invasive measurement of moisture content of skin was performed on different part of human face and hand under control environment (temperature 21 ± 1 °C, relative humidity 45 ± 5 %). Ten healthy volunteers age between 21-25 (male and female) participated in this study. The moisture content of skin was measured using DermaLab® USB Moisture Module, Scalar Moisture Checker and NIR spectroscopy (NIRQuest). Higher correlation was observed between NIRQuest and Dermalab moisture probe with a coefficient of determination (R2) above 70 % for all the subjects. However, the value of R2 between NIRQuest and Moisture Checker was observed to be lower with the R2 values ranges from 51.6 to 94.4 %. The correlation of NIR spectroscopy technique successfully developed for measuring moisture content of the skin. The analysis of this correlation can help to establish novel instruments based on an optical system in clinical used especially in the dermatology field.

  20. Statistical Correlations Between Near-Infrared Luminosities and Ring Sizes in Field Ringed Galaxies

    NASA Astrophysics Data System (ADS)

    Wu, Wentao

    2008-01-01

    Statistically complete samples of inner-pseudo-, inner-, and outer-ringed galaxies can be extracted from the Catalog of Southern Ringed Galaxies. Redshifts and near-infrared (NIR) photometric data are available for the samples, allowing the derivation of the statistical correlations between the total NIR luminosities (L NIR) and the projected ring major axes in the physical scale (D) for these galaxies. For any of the three types of rings, the correlations are approximately L NIR vprop D 1.2 among the early-type ringed galaxies (the most commonly observed ringed galaxies). The correlations among late-type ringed galaxies appear significantly different. The results contradict the previous suggestion by Kormendy (1979, ApJ, 227, 714), who gave LB vprop D 2 (LB : B-band galaxy luminosity). The relations can be used in future to test theoretical simulations of dynamical structures of ringed galaxies as well as those of ring formation under the framework of cosmological models. Currently the results indicate at most small differences in the relative contributions of disk components to total galaxy masses and in the initial disk velocity dispersions between commonly observed ringed galaxies of similar type. The correlations also suggest a new approach to effectively use ring sizes as tertiary cosmological distance indicators, to help enhance the reliability of the measurement of the Hubble Constant.

  1. Exact e-e (exchange) correlations of 2-D quantum dots in magnetic field: Size extensive N = 3 , 4 , … , ‧ n ‧ -electron systems via multi-pole expansion

    NASA Astrophysics Data System (ADS)

    Aggarwal, Priyanka; Sharma, Shivalika; Singh, Sunny; Kaur, Harsimran; Hazra, Ram Kuntal

    2017-04-01

    Inclusion of coulomb interaction emerges with the complexity of either convergence of integrals or separation of variables of Schrödinger equations. For an N-electron system, interaction terms grow by N(N-1)/2 factors. Therefore, 2-e system stands as fundamental basic unit for generalized N-e systems. For the first time, we have evaluated e-e correlations in very simple and absolutely terminating finite summed hypergeometric series for 2-D double carrier parabolic quantum dot in both zero and arbitrary non-zero magnetic field (symmetric gauge) and have appraised these integrals in variational methods. The competitive role among confinement strength, magnetic field, mass of the carrier and dielectric constant of the medium on energy level diagram, level-spacing statistics, heat capacities (Cv at 1 K) and magnetization (T ∼ (0-1)K) is studied on systems spanning over wide range of materials (GaAs,Ge,CdS,SiO2 and He, etc). We have also constructed an exact theory for generalized correlated N-e 2-D quantum dots via multi-pole expansion but for the sake of compactness of the article we refrain from data.

  2. Correlations of CYP2C9∗3/CYP2D6∗10/CYP3A5∗3 gene polymorphisms with efficacy of etanercept treatment for patients with ankylosing spondylitis

    PubMed Central

    Chen, Yuan-Yuan

    2017-01-01

    Abstract Background: The tumor necrosis factor alpha (TNF-α) inhibitor etanercept has been proven to be effective in the treatment of ankylosing spondylitis (AS), while genetic polymorphism may affect drug metabolism or drug receptor, resulting in interindividual variability in drug disposition and efficacy. The purpose of this study is to investigate the correlations between CYP2C9∗3/CYP2D6∗10/CYP3A5∗3 gene polymorphisms and the efficacy of etanercept treatment for patients with AS. Methods: From March 2012 to June 2015, 312 AS patients (174 males and 138 females, mean age: 35.2 ± 5.83 years) from 18 to 56 years old were enrolled in this study. Polymerase chain reaction-restriction fragment length polymorphism was applied to detect the allele and genotype frequencies of CYP2C9∗3, CYP2D6∗10, and CYP3A5∗3 gene polymorphisms. The joint swelling score, erythrocyte sedimentation rate (ESR), and C-reactive protein (CRP) level of AS patients were compared before and after 24-week etanercept treatment. Assessment in Ankylosing Spondylitis (ASAS) and bath ankylosing spondylitis disease activity index (BASDAI) scores were recorded to assess the efficacy of etanercept treatment. Results: The AS patients with wild-type ∗1/∗1 and heterozygous ∗1/∗3 genotypes of CYP2C9∗3 polymorphism accounted for 93.59% and 6.41%, respectively, without ∗3/∗3 genotype. The AS patients with wild-type CC, heterozygous CT, and mutation homozygous TT genotypes of CYP2D6∗10 polymorphism accounted for 19.23%, 39.10%, and 41.67%, respectively. The AS patients with wild-type ∗1/∗1, heterozygous ∗1/∗3, and mutation homozygous ∗3/∗3 genotypes of CYP3A5∗3 polymorphism accounted for 7.69%, 36.22%, and 56.09%, respectively. After 24-week treatment, AS patients with wild-type ∗1/∗1 genotype of CYP2C9∗3, CC genotype of CYP2D6∗10, and ∗3/∗3 genotype of CYP3A5∗3 polymorphisms had lower joint swelling score, ESR, and CRP level. The joint swelling

  3. Herschel-ATLAS: the far-infrared-radio correlation at z < 0.5

    NASA Astrophysics Data System (ADS)

    Jarvis, Matt J.; Smith, D. J. B.; Bonfield, D. G.; Hardcastle, M. J.; Falder, J. T.; Stevens, J. A.; Ivison, R. J.; Auld, R.; Baes, M.; Baldry, I. K.; Bamford, S. P.; Bourne, N.; Buttiglione, S.; Cava, A.; Cooray, A.; Dariush, A.; de Zotti, G.; Dunlop, J. S.; Dunne, L.; Dye, S.; Eales, S.; Fritz, J.; Hill, D. T.; Hopwood, R.; Hughes, D. H.; Ibar, E.; Jones, D. H.; Kelvin, L.; Lawrence, A.; Leeuw, L.; Loveday, J.; Maddox, S. J.; Michałowski, M. J.; Negrello, M.; Norberg, P.; Pohlen, M.; Prescott, M.; Rigby, E. E.; Robotham, A.; Rodighiero, G.; Scott, D.; Sharp, R.; Temi, P.; Thompson, M. A.; van der Werf, P.; van Kampen, E.; Vlahakis, C.; White, G.

    2010-11-01

    We use data from the Herschel-ATLAS to investigate the evolution of the far-infrared-radio correlation over the redshift range 0 < z < 0.5. Using the total far-infrared luminosity of all >5σ sources in the Herschel-ATLAS Science Demonstration Field and cross-matching these data with radio data from the Faint Images of the Radio Sky at Twenty-Centimetres (FIRST) survey and the NRAO Very Large Array (VLA) Northern Sky Survey (NVSS), we obtain 104 radio counterparts to the Herschel sources. With these data we find no evidence for evolution in the far-infrared-radio correlation over the redshift range 0 < z < 0.5, where the median value for the ratio between far-infrared and radio luminosity, qIR, over this range is qIR = 2.40 +/- 0.12 (and a mean of qIR = 2.52 +/- 0.03 accounting for the lower limits), consistent with both the local value determined from IRAS and values derived from surveys targeting the high-redshift Universe. By comparing the radio fluxes of our sample measured from both FIRST and NVSS we show that previous results suggesting an increase in the value of qIR from high to low redshift may be the result of resolving out extended emission of the low-redshift sources with relatively high-resolution interferometric data, although contamination from active galactic nuclei could still play a significant role. We also find tentative evidence that the longer wavelength cooler dust is heated by an evolved stellar population which does not trace the star formation rate as closely as the shorter wavelength <~ 250μm emission or the radio emission, supporting suggestions based on detailed models of individual galaxies. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA. E-mail: m.j.jarvis@herts.ac.uk

  4. Analyzing Raman - Infrared spectral correlation in the recently found meteorite Csátalja.

    PubMed

    Kereszturi, A; Gyollai, I; Kereszty, Zs; Kiss, K; Szabó, M; Szalai, Z; Ringer, M; Veres, M

    2017-02-15

    Correlating the Raman and infrared spectra of shocked minerals in Csátalja ordinary chondrite (H4, S2, W2) with controlling the composition by EPMA measurements, we identified and improved various shock indicators, as infrared spectro-microscopic analysis has been poorly used for shock impact alteration studies of meteorites to date. We also provide reference spectra as SOM for the community with local mineralogical and shock alteration related context to support further standardization of the IR ATR based measurements. Raman band positions shifted in conjunction with the increase in full width half maximum (FWHM) with shock stage in olivine minerals while in the infrared spectra when comparing the IR band positions and IR maximal absorbance, increasing correlation was found as a function of increasing shock effects. This is the first observational confirmation with the ATR method of the already expected shock related disordering. In the case of shocked pyroxenes the well-known peak broadening and peak shift was confirmed by Raman method, beyond the level that could have been produced by only chemical changes. With increasing shock level the 852-864cm(-1) and 1055-1071cm(-1) FTIR bands finally disappeared. From the shock effect occasionally mixed mineral structures formed, especially feldspars together with pyroxene. Feldspars were only present in the shock melted volumes, thus produced by the shock effect itself. Based on the above mentioned observations in Csátalja meteorite the less shocked (only fractured) part witnessed 2-6GPa shock pressure with temperature below 100°C. The moderately shocked parts (minerals with mosaicism and mechanical twins) witnessed 5-10GPa pressure and 900°C temperature. The strongly shocked area (many olivine and pyroxene grains) was subject to 10-15GPa and 1000°C. The existence of broad peak near 510cm(-1) and disappearance of other peaks of feldspar at 480 and 570cm(-1) indicate the presence of maskelynite, which proposes that

  5. Analyzing Raman - Infrared spectral correlation in the recently found meteorite Csátalja

    NASA Astrophysics Data System (ADS)

    Kereszturi, A.; Gyollai, I.; Kereszty, Zs.; Kiss, K.; Szabó, M.; Szalai, Z.; Ringer, M.; Veres, M.

    2017-02-01

    Correlating the Raman and infrared spectra of shocked minerals in Csátalja ordinary chondrite (H4, S2, W2) with controlling the composition by EPMA measurements, we identified and improved various shock indicators, as infrared spectro-microscopic analysis has been poorly used for shock impact alteration studies of meteorites to date. We also provide reference spectra as SOM for the community with local mineralogical and shock alteration related context to support further standardization of the IR ATR based measurements. Raman band positions shifted in conjunction with the increase in full width half maximum (FWHM) with shock stage in olivine minerals while in the infrared spectra when comparing the IR band positions and IR maximal absorbance, increasing correlation was found as a function of increasing shock effects. This is the first observational confirmation with the ATR method of the already expected shock related disordering. In the case of shocked pyroxenes the well-known peak broadening and peak shift was confirmed by Raman method, beyond the level that could have been produced by only chemical changes. With increasing shock level the 852-864 cm- 1 and 1055-1071 cm- 1 FTIR bands finally disappeared. From the shock effect occasionally mixed mineral structures formed, especially feldspars together with pyroxene. Feldspars were only present in the shock melted volumes, thus produced by the shock effect itself. Based on the above mentioned observations in Csátalja meteorite the less shocked (only fractured) part witnessed 2-6 GPa shock pressure with temperature below 100 °C. The moderately shocked parts (minerals with mosaicism and mechanical twins) witnessed 5-10 GPa pressure and 900 °C temperature. The strongly shocked area (many olivine and pyroxene grains) was subject to 10-15 GPa and 1000 °C. The existence of broad peak near 510 cm- 1 and disappearance of other peaks of feldspar at 480 and 570 cm- 1 indicate the presence of maskelynite, which proposes

  6. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  7. Cross-correlation between X-Ray and Optical/Near-infrared Background Intensity Fluctuations

    NASA Astrophysics Data System (ADS)

    Mitchell-Wynne, Ketron; Cooray, Asantha; Xue, Yongquan; Luo, Bin; Brandt, William; Koekemoer, Anton

    2016-12-01

    Angular power spectra of optical and infrared background anisotropies at wavelengths between 0.5 and 5 μm are a useful probe of faint sources present during reionization, in addition to faint galaxies and diffuse signals at low redshift. The cross-correlation of these fluctuations with backgrounds at other wavelengths can be used to separate some of these signals. A previous study on the cross-correlation between X-ray and Spitzer fluctuations at 3.6 μm and 4.5 μm has been interpreted as evidence for direct collapse black holes present at z > 12. Here we return to this cross-correlation and study its wavelength dependence from 0.5 to 4.5 μm using Hubble and Spitzer data in combination with a subset of the 4 Ms Chandra observations in GOODS-S/ECDFS. Our study involves five Hubble bands at 0.6, 0.7, 0.85, 1.25, and 1.6 μm, and two Spitzer-IRAC bands at 3.6 μm and 4.5 μm. We confirm the previously seen cross-correlation between 3.6 μm (4.5 μm) and X-rays with 3.7σ (4.2σ) and 2.7σ (3.7σ) detections in the soft [0.5-2] keV and hard [2-8] keV X-ray bands, respectively, at angular scales above 20 arcsec. The cross-correlation of X-rays with Hubble is largely anticorrelated, ranging between the levels of 1.4σ-3.5σ for all the Hubble and X-ray bands. This lack of correlation in the shorter optical/NIR bands implies the sources responsible for the cosmic infrared background at 3.6 and 4.5 μm are at least partly dissimilar to those at 1.6 μm and shorter.

  8. Preliminary results of determination of chemical changes on Lingzhi or Reishi medicinal mushroom, Ganoderma lucidum (W.Curt.:Fr.)P. Karst. (higher Basidiomycetes) carried by Shenzhou I spaceship with FTIR and 2D-IR correlation spectroscopy.

    PubMed

    Choong, Yew Keong; Chen, Xiangdong; Jamal, Jamia Azdina; Wang, Qiuying; Lan, Jin

    2012-01-01

    Spaceflight represents a complex environmental condition. Space mutagenesis breeding has achieved marked results over the years. The objective of this study is to determine the chemical changes in medicinal mushroom Ganoderma lucidum cultivated after spaceflight in 1999. Fourier transform infrared (FTIR) and two-dimensional infrared (2DIR) correlation spectroscopy were used in analysis. The sample Sx and its control Cx showed the least dissimilarities in one-dimensional FTIR spectra, but absorbance of Sx is twice as high as Cx. Sx presented a clear peak at 1648 cm in 2nd derivative spectra, which could not be detected in the Cx. The 2DIR spectra showed the intensity of Sx in the range 1800-1400 cm-1 for protein is higher than the control. The sample Sx produced some carbohydrate peaks in the area of 889 cm-1 compared with the Cx. The spaceflight set up an extreme condition and caused changes of chemical properties in G. lucidum strain.

  9. Correlations Between Textures and Infrared Spectra of the Martian Surface in Valles Marineris

    NASA Astrophysics Data System (ADS)

    Ralston, S. J.; Wray, J. J.

    2013-12-01

    RALSTON, S. J., School of Earth and Atmospheric Sciences, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332, sralston3@gatech.edu, WRAY, James, School of Earth and Atmospheric Sciences, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332, jwray@eas.gatech.edu In the past few decades, a wealth of information has become available on the appearance and composition of the Martian surface. While some previous research has examined possible correlations between certain surface features and mineralogy (such as the hypothesized connection between Recurring Slope Lineae and perchlorate salts), little has yet been done to determine possible correlations between mineralogy and texture in less extraordinary circumstances. In this project, one hundred images taken from across the Valles Marineris region were examined both in infrared (obtained from the CRISM instrument aboard the Mars Reconnaissance Orbiter) and in visible-light images from the HiRISE camera. Spectra were obtained from regions of interest, focusing mainly on the identification of monohydrated and polyhydrated sulfates. Other materials were included in the imaging, including phyllosilicate clays, gypsum, and jarosite, although those materials proved less abundant than the sulfates. The areas from which the spectra were taken were then examined in visible-light wavelengths using HiRISE images to determine textural qualities. The focus of this research was on two particular textures, a 'reticulated' texture and a 'stepped texture,' hypothesized to correlate to monohydrated and polyhydrated sulfates, respectively. Results showed that over 55% of areas containing monohydrated sulfates also contained reticulate texture, whereas areas that contained other materials, such as polyhydrated sulfates and clays, had only a 2-8% correlation with reticulate texture. The stepped texture was shown to have no significant correlation to any one material, although other texture/mineral pairs did

  10. Optical correlation recognition of infrared target based on wavelet multi-scale product

    NASA Astrophysics Data System (ADS)

    Chen, Fang-han; Wang, Wen-sheng

    2011-06-01

    As one of the most successful optical correlation recognizers, hybrid optoelectronic joint transform correlator (HOJTC) has received more and more attraction than the purely electronic way in the field of target detection and recognition. It primarily because that HOJTC has the advantages of optics as well as those of electronics. This kind of combination determines that the performance of HOJTC is closely related to optical configuration of system and digital image processing technology. For the stability of optical part, a lot of efforts concerning image processing methods have been made in recent years for improving the power of recognition of HOJTC. Edge contours play a decisive role in target detection. In order to obtain adequate contour feature of target, the solution of edge extraction based on wavelet multi-scale product is proposed. Normalized maximum and argument of each point could be defined utilizing wavelet coefficient of image. Both of them contain the relation of coefficient product between each scale. Edge points synthesized the information of multi-scale are extracted by searching local maxima along the direction of gradient. The way adopted fully exploited the character of multi-resolution of wavelet. Simulation experiments and optical experiments indicate that the energy of correlation peaks is obviously enhanced after the original image is processed by wavelet multi-scale product, and it successfully realizes detection and recognition of infrared target.

  11. Infrared thermography coupled with digital image correlation in studying plastic deformation on the mesoscale level

    NASA Astrophysics Data System (ADS)

    Wang, Xiaogang; Witz, Jean-François; El Bartali, Ahmed; Jiang, Chao

    2016-11-01

    This paper focuses on a study of plastic deformation on the mesoscale level by infrared thermography coupled with digital image correlation. First, a novel technique for fully-coupled thermal and kinematic measurements was developed, and the common problem of spatial coupling in the multifield measurement was solved successfully using an image registration method. Then the developed technique was applied to investigate the plastic deformation of a pure aluminium oligocrystal specimen in a tensile test. The deformed specimen manifested high strains of type out-of-plane, which were found closely associated with the crystallographic structure. From a metrological point of view, the out-of-plane effect on the thermographic measurement was analyzed, and the pertinent radiometric artifacts were estimated. The source of errors was verified through a correlation analysis between the estimated artifacts and specimen surface profile. Moreover, the out-of-plane effect on the kinematic measurement was investigated, and the relevant errors were analyzed via the correlation residual. The analysis highlighted the role of the microstructure that played in the plastic deformation and showed that grain boundary was crucial in shaping the heterogeneous deformation patterns for aluminium oligocrystals.

  12. Correlative nonlinear optical microscopy and infrared nanoscopy reveals collagen degradation in altered parchments.

    PubMed

    Latour, Gaël; Robinet, Laurianne; Dazzi, Alexandre; Portier, François; Deniset-Besseau, Ariane; Schanne-Klein, Marie-Claire

    2016-05-19

    This paper presents the correlative imaging of collagen denaturation by nonlinear optical microscopy (NLO) and nanoscale infrared (IR) spectroscopy to obtain morphological and chemical information at different length scales. Such multiscale correlated measurements are applied to the investigation of ancient parchments, which are mainly composed of dermal fibrillar collagen. The main issue is to characterize gelatinization, the ultimate and irreversible alteration corresponding to collagen denaturation to gelatin, which may also occur in biological tissues. Key information about collagen and gelatin signatures is obtained in parchments and assessed by characterizing the denaturation of pure collagen reference samples. A new absorbing band is observed near the amide I band in the IR spectra, correlated to the onset of fluorescence signals in NLO images. Meanwhile, a strong decrease is observed in Second Harmonic signals, which are a structural probe of the fibrillar organization of the collagen at the micrometer scale. NLO microscopy therefore appears as a powerful tool to reveal collagen degradation in a non-invasive way. It should provide a relevant method to assess or monitor the condition of collagen-based materials in museum and archival collections and opens avenues for a broad range of applications regarding this widespread biological material.

  13. Correlative nonlinear optical microscopy and infrared nanoscopy reveals collagen degradation in altered parchments

    NASA Astrophysics Data System (ADS)

    Latour, Gaël; Robinet, Laurianne; Dazzi, Alexandre; Portier, François; Deniset-Besseau, Ariane; Schanne-Klein, Marie-Claire

    2016-05-01

    This paper presents the correlative imaging of collagen denaturation by nonlinear optical microscopy (NLO) and nanoscale infrared (IR) spectroscopy to obtain morphological and chemical information at different length scales. Such multiscale correlated measurements are applied to the investigation of ancient parchments, which are mainly composed of dermal fibrillar collagen. The main issue is to characterize gelatinization, the ultimate and irreversible alteration corresponding to collagen denaturation to gelatin, which may also occur in biological tissues. Key information about collagen and gelatin signatures is obtained in parchments and assessed by characterizing the denaturation of pure collagen reference samples. A new absorbing band is observed near the amide I band in the IR spectra, correlated to the onset of fluorescence signals in NLO images. Meanwhile, a strong decrease is observed in Second Harmonic signals, which are a structural probe of the fibrillar organization of the collagen at the micrometer scale. NLO microscopy therefore appears as a powerful tool to reveal collagen degradation in a non-invasive way. It should provide a relevant method to assess or monitor the condition of collagen-based materials in museum and archival collections and opens avenues for a broad range of applications regarding this widespread biological material.

  14. Correlative nonlinear optical microscopy and infrared nanoscopy reveals collagen degradation in altered parchments

    PubMed Central

    Latour, Gaël; Robinet, Laurianne; Dazzi, Alexandre; Portier, François; Deniset-Besseau, Ariane; Schanne-Klein, Marie-Claire

    2016-01-01

    This paper presents the correlative imaging of collagen denaturation by nonlinear optical microscopy (NLO) and nanoscale infrared (IR) spectroscopy to obtain morphological and chemical information at different length scales. Such multiscale correlated measurements are applied to the investigation of ancient parchments, which are mainly composed of dermal fibrillar collagen. The main issue is to characterize gelatinization, the ultimate and irreversible alteration corresponding to collagen denaturation to gelatin, which may also occur in biological tissues. Key information about collagen and gelatin signatures is obtained in parchments and assessed by characterizing the denaturation of pure collagen reference samples. A new absorbing band is observed near the amide I band in the IR spectra, correlated to the onset of fluorescence signals in NLO images. Meanwhile, a strong decrease is observed in Second Harmonic signals, which are a structural probe of the fibrillar organization of the collagen at the micrometer scale. NLO microscopy therefore appears as a powerful tool to reveal collagen degradation in a non-invasive way. It should provide a relevant method to assess or monitor the condition of collagen-based materials in museum and archival collections and opens avenues for a broad range of applications regarding this widespread biological material. PMID:27194180

  15. Galactic Synchrotron Emission and the Far-infrared-Radio Correlation at High Redshift

    NASA Astrophysics Data System (ADS)

    Schober, J.; Schleicher, D. R. G.; Klessen, R. S.

    2016-08-01

    Theoretical scenarios, including the turbulent small-scale dynamo, predict that strong magnetic fields already exist in young galaxies. Based on the assumption of energy equipartition between magnetic fields and turbulence, we determine the galactic synchrotron flux as a function of redshift z. Galaxies in the early universe are different from local galaxies, in particular, the former have more intense star formation. To cover a large range of conditions, we consider two different systems: one model galaxy comparable to the Milky Way and one typical high-z starburst galaxy. We include a model of the steady-state cosmic ray spectrum and find that synchrotron emission can be detected up to cosmological redshifts with current and future radio telescopes. The turbulent dynamo theory is in agreement with the origin of the observed correlation between the far-infrared (FIR) luminosity L FIR and the radio luminosity L radio. Our model reproduces this correlation well at z = 0. We extrapolate the FIR-radio correlation to higher redshifts and predict a time evolution with a significant deviation from its present-day appearance already at z≈ 2 for a gas density that increases strongly with z. In particular, we predict a decrease of the radio luminosity with redshift which is caused by the increase of cosmic ray energy losses at high z. The result is an increase of the ratio between L FIR and L radio. Simultaneously, we predict that the slope of the FIR-radio correlation becomes shallower with redshift. This behavior of the correlation could be observed in the near future with ultra-deep radio surveys.

  16. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  17. Infrared and Terahertz Spectroscopy of Strongly Correlated Electron Systems under Extreme Conditions

    NASA Astrophysics Data System (ADS)

    Kimura, Shin-ichi; Okamura, Hidekazu

    2013-02-01

    Owing to its high brilliance, infrared and terahertz synchrotron radiation (IR/THz-SR) has emerged as a powerful tool for spectroscopy under extreme (i.e., technically more difficult) experimental conditions such as high pressure, high magnetic field, high spatial resolution, and a combination of these. The methodologies for pressure- and magnetic-field-dependent spectroscopy and microscopy using IR/THz-SR have advanced rapidly worldwide. By applying them to strongly correlated electron systems (SCESs), many experimental studies have been performed on their electronic structures and phonon/molecular vibration modes under extreme conditions. Here, we review the recent progress of methodologies of IR/THz-SR spectroscopy and microscopy, and the experimental results on SCESs and other systems obtained under extreme conditions.

  18. In situ orientation studies of a poly(3-hydroxybutyrate)/poly(epsilon-caprolactone) blend by rheo-optical fourier transform infrared spectroscopy and two-dimensional correlation spectroscopic analysis.

    PubMed

    Unger, Miriam; Siesler, Heinz W

    2009-12-01

    In the present study, the orientation of a poly(3-hydroxybutyrate) (PHB)/poly(epsilon-caprolactone) (PCL) blend was monitored during uniaxial elongation by rheo-optical Fourier transform infrared (FT-IR) spectroscopy and analyzed by generalized two-dimensional correlation spectroscopy (2D-COS). The dichroism of the delta(CH(2)) absorption bands of PHB and PCL was employed to determine the polymer chain orientation in the PHB/PCL blend during the elongation up to 267% strain. From the PHB and PCL specific orientation functions it was derived that the PCL chains orient into the drawing direction while the PHB chains orient predominantly perpendicular to the applied strain. To extract more detailed information about the polymer orientation during uniaxial elongation, 2D-COS analysis was employed for the dichroic difference of the polarization spectra recorded during the drawing process. In the corresponding synchronous and asynchronous 2D correlation plots, absorption bands characteristic of the crystalline and amorphous regions of PHB and PCL were separated. Furthermore, the 2D-COS analysis revealed that during the mechanical treatment the PCL domains orient before the PHB domains.

  19. Infrared

    NASA Astrophysics Data System (ADS)

    Vollmer, M.

    2013-11-01

    'Infrared' is a very wide field in physics and the natural sciences which has evolved enormously in recent decades. It all started in 1800 with Friedrich Wilhelm Herschel's discovery of infrared (IR) radiation within the spectrum of the Sun. Thereafter a few important milestones towards widespread use of IR were the quantitative description of the laws of blackbody radiation by Max Planck in 1900; the application of quantum mechanics to understand the rotational-vibrational spectra of molecules starting in the first half of the 20th century; and the revolution in source and detector technologies due to micro-technological breakthroughs towards the end of the 20th century. This has led to much high-quality and sophisticated equipment in terms of detectors, sources and instruments in the IR spectral range, with a multitude of different applications in science and technology. This special issue tries to focus on a few aspects of the astonishing variety of different disciplines, techniques and applications concerning the general topic of infrared radiation. Part of the content is based upon an interdisciplinary international conference on the topic held in 2012 in Bad Honnef, Germany. It is hoped that the information provided here may be useful for teaching the general topic of electromagnetic radiation in the IR spectral range in advanced university courses for postgraduate students. In the most general terms, the infrared spectral range is defined to extend from wavelengths of 780 nm (upper range of the VIS spectral range) up to wavelengths of 1 mm (lower end of the microwave range). Various definitions of near, middle and far infrared or thermal infrared, and lately terahertz frequencies, are used, which all fall in this range. These special definitions often depend on the scientific field of research. Unfortunately, many of these fields seem to have developed independently from neighbouring disciplines, although they deal with very similar topics in respect of the

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

    PubMed

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

    2016-01-15

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

  1. [Specific interaction study in collagen/hyaluronic acid blends by two-dimensional infrared correlation spectroscopy].

    PubMed

    Tan, Qing-Tian; Tian, Zhen-Hua; Li, Guo-Ying

    2011-04-01

    Conformational changes and specific interactions in the collagen/hyaluronic acid blends were studied by two-dimensional infrared correlation spectroscopy with the interruption of the component of hyaluronic acid in collagen/ hyaluronic acid blends. It was found that the synchronous cross-peaks, derived from stretching vibrations of C=O at 1 694 cm(-1), wagging of N-H at 1 524 cm(-1) and in-plane deformation of N-H at 1 241 cm(-1) of collagen, were indicative of local conformational changes of collagen. The synchronous negative cross-peak between stretching vibrations of C-OH of hyaluronic acid at 1 045 cm(-1) and streching vibrations of C=O of collagen at 1 694 cm(-1) suggested that the interaction of hydrogen bonding existing between O-H of HA and C=O of collagen with the content of HA varied from 0% to 50%. With the content of HA more than 50%, the cross-peak at 1 045 cm(-1) disappeared in synchronous correlation spectra while the intensity of cross-peak at (1 694, 1 524), (1 694, 1 241), (1 524, 1 241) increased, which indicated that no interaction was found between O-H of HA and collagen, however, the interactions of hydrogen bonding existed between C=O of HA and N-H of collagen, resulting in the conformational changes of collagen.

  2. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  3. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  4. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  5. Two-dimensional correlation infrared spectroscopic study on the crystallization and gelation of poly(vinylidene fluoride) in cyclohexanone.

    PubMed

    Peng, Yun; Sun, Bingjie; Wu, Peiyi

    2008-03-01

    Poly(vinylidene fluoride) (PVDF) converts easily into a thermo-reversible gel through crystallization by standing at room temperature in cyclohexanone. In this study, the Fourier transform infrared (FT-IR) spectra were measured continuously at room temperature during the conversion of the solution into a gel. The IR difference spectra derived from these spectra by absorbance subtraction clearly indicate the presence of PVDF alpha-crystallites in the gel due to the presence of absorption bands corresponding to the TG+TG- conformation of the alpha-phase. In the time interval from 25 to 45 min after the beginning of the experiment, the IR bands of PVDF increased dramatically, indicating the conversion of polymer chains from random statistical coils to the ordered TG+TG- conformation (alpha-form). In the time interval from 45 to 90 min, the IR bands of PVDF increased slowly, reflecting no further crystallization. Using two-dimensional (2D) IR analysis, it could be shown that the nu(C=O) absorption band of cyclohexanone changed during the gelation process. During the conformational ordering process (25-45 min), the nu(C=O) absorption band of the cyclohexanone dimer (1707 cm(-1)) decreased while the corresponding band of the monomer at 1718 cm(-1) increased. Furthermore, a new band at 1695 cm(-1) increased, which could be assigned to C=O groups of the solvent interacting with the CF2 groups in the polymer chain. The bands of the crystalline PVDF share positive cross-peaks with the bands of cyclohexanone, which indicates that the chain of PVDF changed prior to the cyclohexanone molecules during the conformational ordering process. However, these positive cross-peaks disappeared during the crystallization process, which means that the chain of PVDF changed synchronously with the solvent molecules. As for the bands of PVDF chains, the band at 762 cm(-1) varied prior to the bands at 873 cm(-1) and 796 cm(-1) during the conformational ordering process. The 762 cm(-1

  6. Characterization of attenuated total reflection infrared spectral intensity variations of immature and mature cotton fibers by two-dimensional correlation analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of immature and mature cotton fibers. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity of 660 cm-1 to ...

  7. Adulteration screening of botanical materials by a sensitive and model-free approach using infrared spectroscopic imaging and two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Jian-bo; Zhou, Qun; Sun, Su-qin

    2016-11-01

    Infrared (IR) spectroscopy is often used as a simple, fast, and green method for the adulteration screening of botanical materials for foods and herbs. However, the overlapping of absorption signals of various substances significantly decrease the sensitivity and specificity of IR spectroscopy in the detection of adulterated samples. In this research, a model-free approach is proposed for the sensitive and non-targeted screening of botanical materials adulterated by adding other plant materials. First, the spectra of the entities in the test sample are collected by near-infrared spectroscopic imaging and clustered by unsupervised pattern recognition methods. The sample may be adulterated if there are two or more clusters of the entities. Next, the entities of different clusters are characterized by mid-infrared spectroscopy to interpret the chemical compositions to determine the clustering is caused whether by adulteration or other reasons. Second derivative spectroscopy and two-dimensional correlation spectroscopy are often needed to resolve the overlapped bands mathematically or experimentally to find the characteristic signals to identify the authentic and adulterant entities. The feasibility of this approach was proved by the simulated adulterated sample of saffron. In conclusion, botanical materials adulterated by adding other plant materials can be detected by a simple, fast, sensitive, and green screening approach using IR spectroscopic imaging, two-dimensional correlation spectroscopy, and necessary chemometrics techniques.

  8. The Physics of the Far-infrared-Radio Correlation. I. Calorimetry, Conspiracy, and Implications

    NASA Astrophysics Data System (ADS)

    Lacki, Brian C.; Thompson, Todd A.; Quataert, Eliot

    2010-07-01

    The far-infrared (FIR) and radio luminosities of star-forming galaxies are linearly correlated over a very wide range in star formation rate, from normal spirals like the Milky Way to the most intense starbursts. Using one-zone models of cosmic ray (CR) injection, cooling, and escape in star-forming galaxies, we attempt to reproduce the observed FIR-radio correlation (FRC) over its entire span. The normalization and linearity of the FRC, together with constraints on the CR population in the Milky Way, have strong implications for the CR and magnetic energy densities in star-forming galaxies. We show that for consistency with the FRC, ~2% of the kinetic energy from supernova explosions must go into high-energy primary CR electrons and that ~10%-20% must go into high-energy primary CR protons. Secondary electrons and positrons are likely comparable to or dominate primary electrons in dense starburst galaxies. We discuss the implications of our models for the magnetic field strengths of starbursts, the detectability of starbursts by Fermi, and CR feedback. Overall, our models indicate that both CR protons and electrons escape from low surface density galaxies, but lose most of their energy before escaping dense starbursts. The FRC is caused by a combination of the efficient cooling of CR electrons (calorimetry) in starbursts and a conspiracy of several factors. For lower surface density galaxies, the decreasing radio emission caused by CR escape is balanced by the decreasing FIR emission caused by the low effective UV dust opacity. In starbursts, bremsstrahlung, ionization, and inverse Compton cooling decrease the radio emission, but they are countered by secondary electrons/positrons and the dependence of synchrotron frequency on energy, both of which increase the radio emission. Our conclusions hold for a broad range of variations in our fiducial model, such as those including winds, different magnetic field strengths, and different diffusive escape times.

  9. The temperature dependence of the far-infrared-radio correlation in the Herschel-ATLAS

    NASA Astrophysics Data System (ADS)

    Smith, D. J. B.; Jarvis, M. J.; Hardcastle, M. J.; Vaccari, M.; Bourne, N.; Dunne, L.; Ibar, E.; Maddox, N.; Prescott, M.; Vlahakis, C.; Eales, S.; Maddox, S. J.; Smith, M. W. L.; Valiante, E.; de Zotti, G.

    2014-12-01

    We use 10 387 galaxies from the Herschel Astrophysical TeraHertz Large Area Survey (H-ATLAS) to probe the far-infrared radio correlation (FIRC) of star-forming galaxies as a function of redshift, wavelength, and effective dust temperature. All of the sources in our 250 μm-selected sample have spectroscopic redshifts, as well as 1.4 GHz flux density estimates measured from the Faint Images of the Radio Sky at Twenty centimetres (FIRST) survey. This enables us to study not only individual sources, but also the average properties of the 250 μm-selected population using median stacking techniques. We find that individual sources detected at ≥5σ in both the H-ATLAS and FIRST data have logarithmic flux ratios (i.e. FIRC qλ parameters) consistent with previous studies of the FIRC. In contrast, the stacked values show larger qλ, suggesting excess far-IR flux density/luminosity in 250 μm-selected sources above what has been seen in previous analyses. In addition, we find evidence that 250 μm sources with warm dust spectral energy distributions have a larger 1.4 GHz luminosity than the cooler sources in our sample. Though we find no evidence for redshift evolution of the monochromatic FIRC, our analysis reveals significant temperature dependence. Whilst the FIRC is reasonably constant with temperature at 100 μm, we find increasing inverse correlation with temperature as we probe longer PACS and SPIRE wavelengths. These results may have important implications for the use of monochromatic dust luminosity as a star formation rate indicator in star-forming galaxies, and in the future, for using radio data to determine galaxy star formation rates.

  10. One-shot measurement of thermal and kinematic fields from Infra-Red Image Correlation (IRIC)

    NASA Astrophysics Data System (ADS)

    Maynadier, A.; Poncelet, M.; Lavernhe-Taillard, K.; Roux, S.

    2010-06-01

    Many materials are concerned by strain localization, for instance PLC phe¨ nomena, Luders’ bands or Shape Memory Alloys (SMA). The experimental identification of such material behaviors requires the use of full field kinematic measurements, such as provided by Digital Image Correlation (DIC), as well as Infra-Red (IR) thermography to evaluate the associate thermal dissipation. Jointly, these field measurements allow for a full thermo-mechanical characterization of material behavior. However, the space and time association of both fields remains a major difficulty (antagonist surface texture requirements, imaging devices having different pixel number and acquisition rate...). In this paper, we introduce a much simpler experimental approach, which consists in a novel extended DIC technique applied to a single set of IR images. It gives access to both displacement and temperature fields decomposed over the same discretization. This technique, applied to tensile tests on a NiTi SMA, reveals both strain localization due to the phase transformation and associated thermal dissipation.

  11. Hemodynamic measurements in rat brain combining diffuse near-infrared absorption and correlation spectroscopies

    NASA Astrophysics Data System (ADS)

    Yu, Guoqiang; Durduran, Turgut; Furuya, Daisuke; Greenberg, Joel H.; Yodh, Arjun G.

    2002-09-01

    Measurement of concentration, oxygenation, and flow characteristics of blood cells can reveal information about tissue metabolism and functional heterogeneity. An instrument has been built that combines two near-infrared diffuse optical techniques to simultaneously monitor blood flow, blood volume and blood oxygen saturation. Diffuse correlation spectroscopy (DCS) monitors blood flow by measuring the optical phase shifts caused by moving blood cells, while diffuse photon density wave (DPDW) spectroscopy measured tissue absorption and scattering. The modularized design of the instrument provides the instrument great flexibility for trading off the temporal, spectral and spatial resolution by selecting the number of source-detector pairs and wavelengths. The frame acquisition rate of the current instrument is 0.2 Hz with 3l (wavelengths) x 15s (source positions) x 4d (detectors) for DPDW measurement in the frequency domain, and 1λ x 3s; x 9d for DCS. Higher frame acquisition rate could be achieved by reducing the spatial resolution, for example, 2 Hz with 3λ x 1s x 4d for DPDW and 1l x 1s x 9d for DCS. The unique non-contact probe mounted on the back of a camera allows non-contact measurement that avoids potentially altering blood flow. We used this instrument to monitor in vivo the hemodynamic responses in rat brain during KCl induced cortical spreading depression (CSD).

  12. Exploring effective multiplicity in multichannel functional near-infrared spectroscopy using eigenvalues of correlation matrices

    PubMed Central

    Uga, Minako; Dan, Ippeita; Dan, Haruka; Kyutoku, Yasushi; Taguchi, Y-h; Watanabe, Eiju

    2015-01-01

    Abstract. Recent advances in multichannel functional near-infrared spectroscopy (fNIRS) allow wide coverage of cortical areas while entailing the necessity to control family-wise errors (FWEs) due to increased multiplicity. Conventionally, the Bonferroni method has been used to control FWE. While Type I errors (false positives) can be strictly controlled, the application of a large number of channel settings may inflate the chance of Type II errors (false negatives). The Bonferroni-based methods are especially stringent in controlling Type I errors of the most activated channel with the smallest p value. To maintain a balance between Types I and II errors, effective multiplicity (Meff) derived from the eigenvalues of correlation matrices is a method that has been introduced in genetic studies. Thus, we explored its feasibility in multichannel fNIRS studies. Applying the Meff method to three kinds of experimental data with different activation profiles, we performed resampling simulations and found that Meff was controlled at 10 to 15 in a 44-channel setting. Consequently, the number of significantly activated channels remained almost constant regardless of the number of measured channels. We demonstrated that the Meff approach can be an effective alternative to Bonferroni-based methods for multichannel fNIRS studies. PMID:26157982

  13. Supermassive black holes and their host galaxies. II. The correlation with near-infrared luminosity revisited

    SciTech Connect

    Läsker, Ronald; Van de Ven, Glenn; Ferrarese, Laura; Shankar, Francesco

    2014-01-01

    We present an investigation of the scaling relations between supermassive black hole (SMBH) masses, M {sub •}, and their host galaxies' K-band bulge (L {sub bul}) and total (L {sub tot}) luminosities. The wide-field WIRCam imager at the Canada-France-Hawaii-Telescope was used to obtain the deepest and highest resolution near-infrared images available for a sample of 35 galaxies with securely measured M {sub •}, selected irrespective of Hubble type. For each galaxy, we derive bulge and total magnitudes using a two-dimensional image decomposition code that allows us to account, if necessary, for large- and small-scale disks, cores, bars, nuclei, rings, envelopes, and spiral arms. We find that the present-day M {sub •}-L {sub bul} and M {sub •}-L {sub tot} relations have consistent intrinsic scatter, suggesting that M {sub •} correlates equally well with bulge and total luminosity of the host. Our analysis provides only mild evidence of a decreased scatter if the fit is restricted to elliptical galaxies. The log-slopes of the M {sub •}-L {sub bul} and M {sub •}-L {sub tot} relations are 0.75 ± 0.10 and 0.92 ± 0.14, respectively. However, while the slope of the M {sub •}-L {sub bul} relation depends on the detail of the image decomposition, the characterization of M {sub •}-L {sub tot} does not. Given the difficulties and ambiguities of decomposing galaxy images into separate components, our results indicate that L {sub tot} is more suitable as a tracer of SMBH mass than L {sub bul}, and that the M {sub •}-L {sub tot} relation should be used when studying the co-evolution of SMBHs and galaxies.

  14. Nano-spatial parameters from 3D to 2D lattice dimensionality by organic variant in [ZnCl4]- [R]+ hybrid materials: Structure, architecture-lattice dimensionality, microscopy, optical Eg and PL correlations

    NASA Astrophysics Data System (ADS)

    Kumar, Ajit; Verma, Sanjay K.; Alvi, P. A.; Jasrotia, Dinesh

    2016-04-01

    The nanospatial morphological features of [ZnCl]- [C5H4NCH3]+ hybrid derivative depicts 28 nm granular size and 3D spreader shape packing pattern as analyzed by FESEM and single crystal XRD structural studies. The organic moiety connect the inorganic components through N-H+…Cl- hydrogen bond to form a hybrid composite, the replacement of organic derivatives from 2-methylpyridine to 2-Amino-5-choloropyridine results the increase in granular size from 28nm to 60nm and unit cell packing pattern from 3D-2D lattice dimensionality along ac plane. The change in optical energy direct band gap value from 3.01eV for [ZnCl]- [C5H4NCH3]+ (HM1) to 3.42eV for [ZnCl]- [C5H5ClN2]+ (HM2) indicates the role of organic moiety in optical properties of hybrid materials. The photoluminescence emission spectra is observed in the wavelength range of 370 to 600 nm with maximum peak intensity of 9.66a.u. at 438 nm for (HM1) and 370 to 600 nm with max peak intensity of 9.91 a.u. at 442 nm for (HM2), indicating that the emission spectra lies in visible range. PL excitation spectra depicts the maximum excitation intensity [9.8] at 245.5 nm for (HM1) and its value of 9.9 a.u. at 294 nm, specify the excitation spectra lies in UV range. Photoluminescence excitation spectra is observed in the wavelength range of 280 to 350 nm with maximum peak intensity of 9.4 a.u. at 285.5 nm and 9.9 a.u. at 294 and 297 nm, indicating excitation in the UV spectrum. Single crystal growth process and detailed physiochemical characterization such as XRD, FESEM image analysis photoluminescence property reveals the structure stability with non-covalent interactions, lattice dimensionality (3D-2D) correlations interweaving into the design of inorganic-organic hybrid materials.

  15. E-2D Advanced Hawkeye Aircraft (E-2D AHE)

    DTIC Science & Technology

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-364 E-2D Advanced Hawkeye Aircraft (E-2D AHE) As of FY 2017 President’s Budget Defense...Office Estimate RDT&E - Research, Development, Test, and Evaluation SAR - Selected Acquisition Report SCP - Service Cost Position TBD - To Be Determined

  16. Correlation between near-infrared tissue spectra and pH, temperature, and blood flow using partial least squares

    NASA Astrophysics Data System (ADS)

    Khan, Tania; Soller, Babs R.; Zhang, Songbiao

    1999-07-01

    It has been shown that near-infrared spectroscopy is a feasible technique to non-invasively measure tissue pH in vivo. Since this technique relies on pH-induced changes in heme protein spectra, other factors that affect those spectra were investigated. In this study, the correlation between spectra collected from the bowel (575 - 1100 nm) with local tissue temperature and blood flow were investigated simultaneously with pH changes during eight independent swine hemorrhagic shock experiments.

  17. CROSS-CORRELATION OF NEAR- AND FAR-INFRARED BACKGROUND ANISOTROPIES AS TRACED BY SPITZER AND HERSCHEL

    SciTech Connect

    Thacker, Cameron; Gong, Yan; Cooray, Asantha; Mitchell-Wynne, Ketron; Bernardis, Francesco De; Smidt, Joseph

    2015-10-01

    We present the cross-correlation between the far-infrared (far-IR) background fluctuations as measured with the Herschel Space Observatory at 250, 350, and 500 μm and the near-infrared (near-IR) background fluctuations with the Spitzer Space Telescope at 3.6 and 4.5 μm. The cross-correlation between the FIR and NIR background anisotropies is detected such that the correlation coefficient at a few to 10 arcminute angular scale decreases from 0.3 to 0.1 when the FIR wavelength increases from 250 to 500 μm. We model the cross-correlation using a halo model with three components: (a) FIR bright or dusty star-forming galaxies below the masking depth in Herschel maps, (b) NIR faint galaxies below the masking depth, and (c) intra-halo light (IHL), or diffuse stars in dark matter halos, that is likely dominating the large-scale NIR fluctuations. The model is able to reasonably reproduce the auto-correlations at each of the FIR wavelengths and at 3.6 μm and their corresponding cross-correlations. While the FIR and NIR auto-correlations are dominated by faint, dusty, star-forming galaxies and IHL, respectively, we find that roughly half of the cross-correlation between the NIR and FIR backgrounds is due to the same dusty galaxies that remain unmasked at 3.6 μm. The remaining signal in the cross-correlation is due to IHL present in the same dark matter halos as those hosting the same faint and unmasked galaxies.

  18. Soap film as a 2D system: Diffusion and flow fields

    NASA Astrophysics Data System (ADS)

    Vivek, Skanda; Weeks, Eric

    2014-03-01

    We use microrheology to measure the 2D (interfacial) viscosity of soap films. Microrheology uses the diffusivity of tracer particles suspended in the soap film to infer viscosity. Our tracer particles are colloids of diameters d = 0.10 and 0.18 microns. We measure the interfacial viscosity of soap films ranging in thickness from 0.1 to 3 microns. The thickness of these films is measured using the infrared absorbance of the water based soap films. From film thickness, viscosity of the fluid used to make the film and particle diffusivity, we can infer the interfacial viscosity due to the surfactant layers at the film/air interfaces. We find positive constant interfacial viscosities for thin films (h/d < 5), within error. For thicker films, we find negative viscosities, indicating 3D effects begin to play a role, as air stresses become less important. The transition from 2D to 3D properties as a function of h/d is sharp at about h/d=6. Additionally, we measure larger length scale flow fields from correlated particle motions and find good agreement with what is expected from the theory of 2D fluids for all our films. In conclusion, single particle diffusion shows a sharp transition away from 2D like behavior as h/d increases, but the long-range flow fields still act as 2D.

  19. INFRARED SPECTROSCOPY-BASED PROPERTY-REACTIVITY CORRELATIONS FOR PREDICTING ENVIRONMENTAL FATE OF ORGANIC CHEMICALS

    EPA Science Inventory

    A conventional structure-activity relationship (SAP) has been established between the alkaline hydrolysis rate constant (kOH) of 12 alkyl and aryl formates and acetates and the linear combination GE the frequencies of the and infrared (SR) absorbance peaks. he inability of this r...

  20. Evidence for gravitational lensing of the cosmic microwave background polarization from cross-correlation with the cosmic infrared background.

    PubMed

    Ade, P A R; Akiba, Y; Anthony, A E; Arnold, K; Atlas, M; Barron, D; Boettger, D; Borrill, J; Borys, C; Chapman, S; Chinone, Y; Dobbs, M; Elleflot, T; Errard, J; Fabbian, G; Feng, C; Flanigan, D; Gilbert, A; Grainger, W; Halverson, N W; Hasegawa, M; Hattori, K; Hazumi, M; Holzapfel, W L; Hori, Y; Howard, J; Hyland, P; Inoue, Y; Jaehnig, G C; Jaffe, A; Keating, B; Kermish, Z; Keskitalo, R; Kisner, T; Le Jeune, M; Lee, A T; Leitch, E M; Linder, E; Lungu, M; Matsuda, F; Matsumura, T; Meng, X; Miller, N J; Morii, H; Moyerman, S; Myers, M J; Navaroli, M; Nishino, H; Paar, H; Peloton, J; Poletti, D; Quealy, E; Rebeiz, G; Reichardt, C L; Richards, P L; Ross, C; Rotermund, K; Schanning, I; Schenck, D E; Sherwin, B D; Shimizu, A; Shimmin, C; Shimon, M; Siritanasak, P; Smecher, G; Spieler, H; Stebor, N; Steinbach, B; Stompor, R; Suzuki, A; Takakura, S; Tikhomirov, A; Tomaru, T; Wilson, B; Yadav, A; Zahn, O

    2014-04-04

    We reconstruct the gravitational lensing convergence signal from cosmic microwave background (CMB) polarization data taken by the Polarbear experiment and cross-correlate it with cosmic infrared background maps from the Herschel satellite. From the cross spectra, we obtain evidence for gravitational lensing of the CMB polarization at a statistical significance of 4.0σ and indication of the presence of a lensing B-mode signal at a significance of 2.3σ. We demonstrate that our results are not biased by instrumental and astrophysical systematic errors by performing null tests, checks with simulated and real data, and analytical calculations. This measurement of polarization lensing, made via the robust cross-correlation channel, not only reinforces POLARBEAR auto-correlation measurements, but also represents one of the early steps towards establishing CMB polarization lensing as a powerful new probe of cosmology and astrophysics.

  1. Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Manian, S. V. S.

    1976-01-01

    Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

  2. Diagnostic performance of 3D TSE MRI versus 2D TSE MRI of the knee at 1.5 T, with prompt arthroscopic correlation, in the detection of meniscal and cruciate ligament tears*

    PubMed Central

    Chagas-Neto, Francisco Abaeté; Nogueira-Barbosa, Marcello Henrique; Lorenzato, Mário Müller; Salim, Rodrigo; Kfuri-Junior, Maurício; Crema, Michel Daoud

    2016-01-01

    Objective To compare the diagnostic performance of the three-dimensional turbo spin-echo (3D TSE) magnetic resonance imaging (MRI) technique with the performance of the standard two-dimensional turbo spin-echo (2D TSE) protocol at 1.5 T, in the detection of meniscal and ligament tears. Materials and Methods Thirty-eight patients were imaged twice, first with a standard multiplanar 2D TSE MR technique, and then with a 3D TSE technique, both in the same 1.5 T MRI scanner. The patients underwent knee arthroscopy within the first three days after the MRI. Using arthroscopy as the reference standard, we determined the diagnostic performance and agreement. Results For detecting anterior cruciate ligament tears, the 3D TSE and routine 2D TSE techniques showed similar values for sensitivity (93% and 93%, respectively) and specificity (80% and 85%, respectively). For detecting medial meniscal tears, the two techniques also had similar sensitivity (85% and 83%, respectively) and specificity (68% and 71%, respectively). In addition, for detecting lateral meniscal tears, the two techniques had similar sensitivity (58% and 54%, respectively) and specificity (82% and 92%, respectively). There was a substantial to almost perfect intraobserver and interobserver agreement when comparing the readings for both techniques. Conclusion The 3D TSE technique has a diagnostic performance similar to that of the routine 2D TSE protocol for detecting meniscal and anterior cruciate ligament tears at 1.5 T, with the advantage of faster acquisition. PMID:27141127

  3. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  4. Infrared Spectroscopic Evidences of Strong Electronic Correlations in (Sr1−xLax)3Ir2O7

    PubMed Central

    Ahn, Gihyeon; Song, S. J.; Hogan, T.; Wilson, S. D.; Moon, S. J.

    2016-01-01

    We report on infrared spectroscopic studies of the electronic response of the (Sr1−xLax)3Ir2O7 system. Our experiments revealed hallmarks of strong electronic correlations in the evolution of the electronic response across the filling-controlled insulator-metal transition. We observed a collapse of the Jeff = 1/2 Mott gap accompanying the transfer of the spectral weight from the high-energy region to the gap region with electron doping. The intraband conductivity at the metallic side of the transition was found to consist of coherent Drude-like and incoherent responses. The sum rule and the extended Drude model analyses further indicated a large mass enhancement. Our results demonstrate a critical role of the electronic correlations in the charge dynamics of the (Sr1−xLax)3Ir2O7 system. PMID:27599573

  5. Development of an Instrument Performance Simulation Capability for an Infrared Correlation Radiometer for Troposheric Carbon Monoxide Measurements From Geo

    NASA Technical Reports Server (NTRS)

    OsowskiNeil, Doreen; Yee, Jeng-Hwa; Boldt, John; Edwards, David

    2010-01-01

    We present the progress toward an analytical performance model of a 2.3 micron infrared correlation radiometer (IRCRg) prototype subsystem for a future geostationary space-borne instrument. The prototype is designed specifically to measure carbon monoxide (CO) from geostationary orbit. NASA's Geostationary Coastal and Air Pollution Events (GEO-CAPE) mission, one of the United States Earth Science and Applications Decadal Survey missions, specifies the use of infrared correlation radiometry to measure CO in two spectral regions for this mission. GEO-CAPE will use the robust IRCR measurement technique at geostationary orbit, nearly 50 times farther away than the Terra/MOPITT orbit, to determine hourly changes in CO across a continental domain. The abundance of CO in Earth's troposphere directly affects the concentration of hydroxyl, which regulates the lifetimes of many tropospheric pollutants. In addition, CO is a precursor to ozone formation; CO is used as a tracer to study the transport of global and regional pollutants; and CO is used as an indicator of both natural and anthropogenic air pollution sources and sinks. We have structured our development project to enable rapid evaluation of future spaceborne instrument designs. The project is part of NASA's Instrument Incubator Program. We describe the architecture of the performance model and the planned evaluation of the performance model using laboratory test data.

  6. Neuronal Correlates of Cognitive Control during Gaming Revealed by Near-Infrared Spectroscopy.

    PubMed

    Witte, Matthias; Ninaus, Manuel; Kober, Silvia Erika; Neuper, Christa; Wood, Guilherme

    2015-01-01

    In everyday life we quickly build and maintain associations between stimuli and behavioral responses. This is governed by rules of varying complexity and past studies have identified an underlying fronto-parietal network involved in cognitive control processes. However, there is only limited knowledge about the neuronal activations during more natural settings like game playing. We thus assessed whether near-infrared spectroscopy recordings can reflect different demands on cognitive control during a simple game playing task. Sixteen healthy participants had to catch falling objects by pressing computer keys. These objects either fell randomly (RANDOM task), according to a known stimulus-response mapping applied by players (APPLY task) or according to a stimulus-response mapping that had to be learned (LEARN task). We found an increased change of oxygenated and deoxygenated hemoglobin during LEARN covering broad areas over right frontal, central and parietal cortex. Opposed to this, hemoglobin changes were less pronounced for RANDOM and APPLY. Along with the findings that fewer objects were caught during LEARN but stimulus-response mappings were successfully identified, we attribute the higher activations to an increased cognitive load when extracting an unknown mapping. This study therefore demonstrates a neuronal marker of cognitive control during gaming revealed by near-infrared spectroscopy recordings.

  7. NEAR-INFRARED CIRCULAR POLARIZATION SURVEY IN STAR-FORMING REGIONS: CORRELATIONS AND TRENDS

    SciTech Connect

    Kwon, Jungmi; Tamura, Motohide; Hough, James H.; Lucas, Phil W.; Kusakabe, Nobuhiko; Kandori, Ryo; Nagata, Tetsuya; Nakajima, Yasushi; Nagayama, Takahiro

    2014-11-01

    We have conducted a systematic near-infrared circular polarization (CP) survey in star-forming regions, covering high-mass, intermediate-mass, and low-mass young stellar objects. All the observations were made using the SIRPOL imaging polarimeter on the Infrared Survey Facility 1.4 m telescope at the South African Astronomical Observatory. We present the polarization properties of 10 sub-regions in 6 star-forming regions. The polarization patterns, extents, and maximum degrees of linear and circular polarizations are used to determine the prevalence and origin of CP in the star-forming regions. Our results show that the CP pattern is quadrupolar in general, the CP regions are extensive, up to 0.65 pc, the CP degrees are high, up to 20%, and the CP degrees decrease systematically from high- to low-mass young stellar objects. The results are consistent with dichroic extinction mechanisms generating the high degrees of CP in star-forming regions.

  8. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  9. Extensions of 2D gravity

    SciTech Connect

    Sevrin, A.

    1993-06-01

    After reviewing some aspects of gravity in two dimensions, I show that non-trivial embeddings of sl(2) in a semi-simple (super) Lie algebra give rise to a very large class of extensions of 2D gravity. The induced action is constructed as a gauged WZW model and an exact expression for the effective action is given.

  10. Hemodynamic correlates of visuomotor motor adaptation by functional Near Infrared Spectroscopy.

    PubMed

    Gentili, Rodolphe J; Hadavi, Cyrus; Ayaz, Hasan; Shewokis, Patricia A; Contreras-Vidal, Jose L

    2010-01-01

    The development of rehabilitation engineering technologies such as the design of smart prosthetics necessitates a deep understanding of brain mechanisms engaged in ecological situations when human interact with new tools and/or environments. Thus, we aimed to investigate potential hemodynamic signatures reflecting the level of cognitive-motor performance and/or the internal or mental states of individuals when learning a novel tool with unknown properties. These markers were derived from functional Near Infrared Spectroscopy (fNIR) signals. Our results indicate an increased level of oxy-hemoglobin in prefrontal sensors associated with enhanced kinematics during early compared with late learning. This is consistent with previous neuroimaging studies that revealed a higher contribution of prefrontal areas during early compare to late adaptation learning. These non-invasive functional hemodynamic markers may play a role in bioengineering applications such as smart neuroprosthesis and brain monitoring where adaptive behavior is important.

  11. Poultry water holding capacity measurements using infrared spectroscopies correlated to traditional methods

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Water holding capacity (WHC) in chicken meat is directly correlated with the quality of the meat. Lower water holding capacity is linked with decreased sensory qualities and therefore lower consumer satisfaction. Additionally, measurement of WHC is subject to wide variations which can depend on many...

  12. Organic and inorganic correlations for Northwest Africa 852 by synchrotron-based Fourier transform infrared microspectroscopy

    NASA Astrophysics Data System (ADS)

    Yesiltas, Mehmet; Peale, Robert E.; Unger, Miriam; Sedlmair, Julia; Hirschmugl, Carol J.

    2015-10-01

    Relationships between organic molecules and inorganic minerals are investigated in a single 34 μm diameter grain of the CR2 chondrite Northwest Africa 852 (NWA) 852 with submicron spatial resolution using synchrotron-based imaging micro-FTIR spectroscopy. Correlations based on absorption strength for the various constituents are determined using statistical correlation analysis. The silicate band is found to be correlated with the hydration band, and the latter is highly correlated with stretching modes of aliphatic hydrocarbons. Spatial distribution maps show that water+organic combination, silicate, OH, and C-H distributions overlap, suggesting a possible catalytic role of phyllosilicates in the formation of organics. In contrast, the carbonate band is anticorrelated with water+organic combination, however uncorrelated with any other spectral feature. The average ratio of asymmetric CH2 and CH3 band strengths (CH2/CH3 = 2.53) for NWA 852 is similar to the average ratio of interplanetary dust particles (~2.40) and Wild 2 cometary dust particles (2.50), but it significantly exceeds that of interstellar medium objects (~1.00) and several aqueously altered carbonaceous chondrites (~1.40). This suggests organics of similar length/branching, and perhaps similar formation regions, for NWA 852, Wild 2 dust particles, and interplanetary dust particles. The heterogeneous spatial distribution of ratio values indicates the presence of a mixture of aliphatic organic material with different length/branching, and thus a wide range of parent body processes, which occurred before the considered grain was formed.

  13. Infrared study of the magnetostructural phase transition in correlated CrN

    NASA Astrophysics Data System (ADS)

    Ebad-Allah, J.; Kugelmann, B.; Rivadulla, F.; Kuntscher, C. A.

    2016-11-01

    We report on the pressure and temperature dependence of the electronic and vibrational properties of polycrystalline CrN studied by optical transmission and reflection measurements over the frequency range 0.012-2.48 eV. The optical conductivity spectrum of CrN at ambient conditions shows a phonon mode at ≈55 meV with a shoulder at ≈69 meV , a pronounced midinfrared absorption band centered at 123 ±2 meV , and a high-energy absorption band at ≈1.5 eV . The absorption bands are discussed in terms of the charge-transfer insulator picture. Following the reflectance spectrum with increasing pressure, the activation of an additional phonon mode above 0.6 GPa indicates the occurrence of a pressure-induced structural phase transition. Furthermore, the absorption spectrum exhibits significant changes in the far-infrared range with decreasing temperature: The phonon mode shows a sudden broadening followed by a splitting below 270 K. These changes observed under pressure or while cooling down can be associated with the magnetostructural phase transition reported previously.

  14. Correlation of far-infrared emission and radio continuum emission along the major axis of edge-on spiral galaxies

    NASA Technical Reports Server (NTRS)

    Heikkila, Bryant; Webber, William R.

    1994-01-01

    Using new High Resolution far-infrared (FIR) images we have determined FIR flux densities, the FIR luminosity, and intensity profiles along the major axis for eight nearby edge-on spiral galaxies. We present spatial comparisons between the FIR profiles in three of the four IRAS Bands (25, 60, 100 microns). We also present direct spatial comparisons between the 60 micron intensity profiles and intensity profiles from 20 cm radio continuum maps with identical resolution (approx. 60 sec) obtained from J. J. Condon. Using these profiles we have evaluated the 60 micron-to-20 cm ratio Q(sub 60) along the major axis for each galaxy and have compared the results to global Q(sub 60) values. This analysis reveals that a considerable amount of complicated structure exists within the disk of spiral galaxies. Closer examination of this disk structure will make it possible to place further constraints on the well known global far-infrared and radio continuum emission correlation.

  15. [Research on the correlation chart of near infrared spectra by using multiple scatter correction technique].

    PubMed

    Lu, Yong-jun; Qu, Yan-ling; Song, Min

    2007-05-01

    Correlation spectroscopy can be used to describe the linear correlationship between the absorbance and concentration data in the whole spectra range and clearly figure out the characteristic peak position of the sample under test. Meantime, this chart plays an extremely important role in offering the precise information for choosing the optimal wavelength set during the calibration process. Multiple scatter correct (MSC) spectroscopy is a kind of multiple variable scatter correction technique, and can effectively remove the base shift and tilt phenomenon caused by MSC. As a result, the ratio of signal to noise is improved greatly. Based on this feature, the new idea of the MSC technique was introduced into the preceding data treatment for the creation of correlation chart, and through careful experiment this idea was proved to be correct and effective.

  16. Hydrogen bonding. Part 26. Thermodynamics of dissociation and infrared spectracrystal structure correlations for betaine monohydrate and trimethylamine oxide dihydrate

    NASA Astrophysics Data System (ADS)

    Toccalino, Patricia L.; Harmon, Kenneth M.; Harmon, Jennifer

    1988-10-01

    Thermodynamic parameters for the dissociation of betaine monohydrate and trimethylamine oxide dihydrate have been determined by equilibrium vapor pressure measurements. Betaine monohydrate appears in two slightly different crystalline forms, one obtained by crystallization from water and the other by addition of water vapor to solid anhydrous betaine. Hydrogen bond energies in these hydrates are at least 8-9 kcal mol -1 per OH⋯O bond. Hydrogen bond energies in trimethylamine oxide dihydrate average at least 14 kcal mol -1 per OH⋯O bond; however, as there are two distinct types of hydrogen bonds in this hydrate, some bonds are stronger and some weaker than 14 kcal mol -1. These studies show conclusively that trimethylamine oxide monohydrate does not exist. The infrared spectrum of trimethylamine oxide dihydrate is correlated with the crystal structure.

  17. Structural analysis of lime wood biodegraded by white rot fungi through infrared and two dimensional correlation spectroscopy techniques

    NASA Astrophysics Data System (ADS)

    Popescu, Carmen-Mihaela; Gradinariu, Petronela; Popescu, Maria-Cristina

    2016-11-01

    The action of the white rot fungi Phanerochaete crisosporium on the structure of lime wood (Tilia cordata) has been studied. The degree of decay was determined by weight loss, which was of 37% after 110 days. The samples were further analyzed by infrared and two dimensional correlation spectroscopy. The recorded spectra for different intervals of decay indicate variations in the intensities and width or wavenumber shifts of the bands assigned, both, for lignin and carbohydrates. An increase in the intensities of the bands from the carbonyl region due to formation of new structures, accompanied by the reduction of the methoxyl and methyl/methylene groups in lignin was evidenced. Further, the differences between reference and decayed wood spectra were examined in detail using 2DCOS spectroscopy and the second derivative analysis and the sequential order of modifications were established.

  18. A SPITZER SURVEY OF MID-INFRARED MOLECULAR EMISSION FROM PROTOPLANETARY DISKS. II. CORRELATIONS AND LOCAL THERMAL EQUILIBRIUM MODELS

    SciTech Connect

    Salyk, C.; Pontoppidan, K. M.; Blake, G. A.; Najita, J. R.; Carr, J. S.

    2011-04-20

    We present an analysis of Spitzer Infrared Spectrograph observations of H{sub 2}O, OH, HCN, C{sub 2}H{sub 2}, and CO{sub 2} emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and strengths of most mid-IR molecular emission features are correlated with each other, suggesting a common origin and similar excitation conditions for this mid-infrared line forest. Aside from the remarkable differences in molecular line strengths between T Tauri, Herbig Ae/Be, and transitional disks discussed in Pontoppidan et al., we note that the line detection efficiency is anti-correlated with the 13/30 {mu}m spectral slope, which is a measure of the degree of grain settling in the disk atmosphere. We also note a correlation between detection efficiency and H{alpha} equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H{sub 2}O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L{sub *}. However, significant sample variation, especially in molecular line ratios, remains, and its origin has yet to be explained. Local thermal equilibrium (LTE) models of the H{sub 2}O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H{sub 2}O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near {approx}10{sup 18} cm{sup -2} and 450 K for all sources, suggesting a high abundance of H{sub 2}O in many planet-forming regions. Other molecules have a range of excitation temperatures from {approx}500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of {approx}10{sup -3} for all molecules, with the exception of CO, for which n(CO)/n(H{sub 2}O) {approx} 1. However, LTE

  19. Correlations between shape and near infrared reflective properties of nano/micro-yttria.

    PubMed

    Liu, Jie; Lv, Hongbin; Wang, Zhengjun; Wang, Feijiu; Luo, Hui; Yu, Xibin

    2011-04-01

    Yttria nanorods, nanoflakes and microshperes have been prepared via solvothermal and homogeneous precipitation methods followed by further calcining treatment, without any catalysts, templates, or substrates, in which yttrium nitrate was used as the yttrium source, sodium hydroxide and urea as the precipitators. The results show that the reflectivity of nano-yttria has significant correlations with its nanostructures. In contrast, Y2O3 microshperes possess about 90% reflectivity in the NIR region, which can be applied in energy saving and military camouflage etc.

  20. Inter-ethnic differences in genetic polymorphisms of xenobiotic-metabolizing enzymes (CYP1A1, CYP2D6, NAT1 and NAT2) in healthy populations: correlation with the functional in silico prediction.

    PubMed

    Khlifi, Rim; Ben Salah, Ghada; Chakroun, Amine; Hamza-Chaffai, Amel; Rebai, Ahmed

    2014-09-01

    Several studies have shown that many polymorphisms of the xenobiotic-metabolizing enzymes (XME) affect either enzymatic functions or are associated with various aspects of human health. Owing to the presence of these single nucleotide variants (SNVs), differences in detoxification capacity have been observed between many ethnicities. The aim of this investigation was to study the prevalence of four polymorphisms in XME among various ethnic groups. Attention was focused on polymorphisms of CYP2D6 (rs1058172, G>A, p.Arg365His), CYP1A1 (rs4646421, c.-26-728C>T), NAT1 (rs4921880, c.-85-1014T>A) and NAT2 (rs1208, A>G, p.Arg268Lys). These polymorphisms were analyzed in 261 healthy Tunisians individuals in comparison with different ethnic backgrounds from hapmap database. In addition, in silico functional prediction was also performed to determine the loss of function variants. Our results demonstrated that population's origins widely affect the genetic variability of XME enzymes and Tunisians show a characteristic pattern. In silico predictions showed a deleterious effect for p.Arg268Lys substitution on CYP2D6 function, findings confirmed its key role played in cancer susceptibility. These data show that detoxification genes structures depend on the studied population. This suggests that ethnic differences impact on disease risk or response to drugs and therefore should be taken into consideration in genetic association studies focusing on XME enzymes. Our results provide the first report on these SNV in Tunisian population and could be useful for further epidemiological investigations including targeted therapy.

  1. Continuous monitoring of absolute cerebral blood flow by combining diffuse correlation spectroscopy and time-resolved near-infrared technology

    NASA Astrophysics Data System (ADS)

    Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2011-02-01

    Continuous bedside monitoring of cerebral blood flow (CBF) in patients recovering from brain injury could improve the detection of impaired substrate delivery, which can exacerbate injury and worsen outcome. Diffuse correlation spectroscopy (DCS) provides the ability to monitor perfusion changes continuously, but it is difficult to quantify absolute blood flow - leading to uncertainties as to whether or not CBF has fallen to ischemic levels. To continuously measure CBF, we propose to calibrate DCS data using a single time-point, time-resolved near-infrared (TR-NIR) technique for measuring absolute CBF. Experiments were conducted on newborn piglets in which CBF was increased by raising the arterial tension of CO2 (40-62 mmHg) and decreased by carotid occlusion. For validation, values of CBF measured by TR-NIR were converted into blood flow changes and compared to CBF changes measured by DCS. A strong correlation between perfusion changes from the two techniques was revealed (slope = 0.98 and R2 = 0.96), suggesting that a single time-point CBF measurement by TR-NIR can be used to convert continuous DCS data into units of CBF (ml/100g/min).

  2. PROBING THE EPOCH OF PRE-REIONIZATION BY CROSS-CORRELATING COSMIC MICROWAVE AND INFRARED BACKGROUND ANISOTROPIES

    SciTech Connect

    Atrio-Barandela, F.; Kashlinsky, A. E-mail: Alexander.Kashlinsky@nasa.gov

    2014-12-20

    The epoch of first star formation and the state of the intergalactic medium (IGM) at that time are not directly observable with current telescopes. The radiation from those early sources is now part of the cosmic infrared background (CIB) and, as these sources ionize the gas around them, the IGM plasma would produce faint temperature anisotropies in the cosmic microwave background (CMB) via the thermal Sunyaev-Zeldovich (TSZ) effect. While these TSZ anisotropies are too faint to be detected, we show that the cross-correlation of maps of source-subtracted CIB fluctuations from Euclid, with suitably constructed microwave maps at different frequencies, can probe the physical state of the gas during reionization and test/constrain models of the early CIB sources. We identify the frequency-combined, CMB-subtracted microwave maps from space- and ground-based instruments to show that they can be cross-correlated with the forthcoming all-sky Euclid CIB maps to detect the cross-power at scales ∼5'-60' with signal-to-noise ratios (S/Ns) of up to S/N ∼ 4-8 depending on the contribution to the Thomson optical depth during those pre-reionization epochs (Δτ ≅ 0.05) and the temperature of the IGM (up to ∼10{sup 4} K). Such a measurement would offer a new window to explore the emergence and physical properties of these first light sources.

  3. A physical model of the infrared-to-radio correlation in galaxies

    NASA Technical Reports Server (NTRS)

    Helou, G.; Bicay, M. D.

    1993-01-01

    We explore the implications of the IR-radio correlation in star-forming galaxies, using a simple physical model constrained by the constant global ratio q of IR to radio emission and by the radial falloff of this ratio in disks of galaxies. The modeling takes into account the diffusion, radiative decay, and escape of cosmic-ray electrons responsible for the synchrotron emission, and the full range of optical depths to dust-heating photons. We introduce two assumptions: that dust-heating photons and radio-emitting cosmic-ray electrons are created in constant proportion to each other as part of the star formation activity, and that gas and magnetic field are well coupled locally, expressed as B proportional to n exp beta, with beta between 1/3 and 2/3. We conclude that disk galaxies would maintain the observed constant ratio q under these assumptions if the disk scale height h(0) and the escape scale length l(esc) for cosmic-ray electrons followed a relation of the form l(esc) proportional to h(0) exp 1/2; the IR-to-radio ratio will then depend very weakly on interstellar density, and, therefore, on magnetic field strength or mean optical depth.

  4. Correlations between Venus nightside near infrared emissions measured by VIRTIS/Venus Express and Magellan radar data

    NASA Astrophysics Data System (ADS)

    Mueller, N.; Helbert, J.; Hashimoto, G. L.; Tsang, C. C. C.; Erard, S.; Piccioni, G.; Drossart, P.

    2008-09-01

    . Laques, F. Deladerriere, and F. Colas (1993), Detection of the surface of Venus at 1.0 micrometer from ground-based observations, Planetary and Space Science, 41, 543-549. [2] Meadows, V. S., and D. Crisp (1996), Ground-based near-infrared observations of the Venus nightside: The thermal structure and water abundance near the surface, Journal of Geophysical Research, 101, 4595-4622. [3] Hashimoto, G. L., and S. Sugita (2003), On observing the compositional variability of the surface of Venus using nightside near-infrared thermal radiation, Journal of Geophysical Research (Planets), 108, 13-18. [4] Tsang, C. C. C., P. G. J. Irwin, F. W. Taylor, and C. F. Wilson (2008), A correlated-k model of radiative transfer in the near-infrared windows of venus, Journal of Quantitative Spectroscopy & Radiative Transfer, In press. [5] Ford, P. G., and G. H. Pettengill (1992), Venus topography and kilometer-scale slopes, Journal of Geophysical Research, 97, 13,103. [6] Nikolaeva, O. V., M. A. Ivanov, and V. K. Borozdin (1992), Evidence on the crustal dichotomy, pp. 129- 139, Venus Geology, Geochemistry, and Geophysics - Research results from the USSR. [7] Hashimoto, G. L., M. Roos-Serote, S. Sugita, M. S. Gilmore, L. W. Kamp, B. Carlson, and K. Baines (this issue), Galileo Near Infrared Mapping Spectrometer (NIMS) Data Suggests Felsic Highland Crust on Venus, Journal of Geophysical Research, submitted. [8] Head, J. W., E. M. Parmentier, and P. C. Hess (1994), Venus: Vertical accretion of crust and depleted mantle and implications for geological history and processes, Planetary and Space Science, 42, 803-811.

  5. Fluoxetine- and norfluoxetine-mediated complex drug-drug interactions: in vitro to in vivo correlation of effects on CYP2D6, CYP2C19, and CYP3A4.

    PubMed

    Sager, J E; Lutz, J D; Foti, R S; Davis, C; Kunze, K L; Isoherranen, N

    2014-06-01

    Fluoxetine and its circulating metabolite norfluoxetine comprise a complex multiple-inhibitor system that causes reversible or time-dependent inhibition of the cytochrome P450 (CYP) family members CYP2D6, CYP3A4, and CYP2C19 in vitro. Although significant inhibition of all three enzymes in vivo was predicted, the areas under the concentration-time curve (AUCs) for midazolam and lovastatin were unaffected by 2-week dosing of fluoxetine, whereas the AUCs of dextromethorphan and omeprazole were increased by 27- and 7.1-fold, respectively. This observed discrepancy between in vitro risk assessment and in vivo drug-drug interaction (DDI) profile was rationalized by time-varying dynamic pharmacokinetic models that incorporated circulating concentrations of fluoxetine and norfluoxetine enantiomers, mutual inhibitor-inhibitor interactions, and CYP3A4 induction. The dynamic models predicted all DDIs with less than twofold error. This study demonstrates that complex DDIs that involve multiple mechanisms, pathways, and inhibitors with their metabolites can be predicted and rationalized via characterization of all the inhibitory species in vitro.

  6. 2D quasiperiodic plasmonic crystals

    PubMed Central

    Bauer, Christina; Kobiela, Georg; Giessen, Harald

    2012-01-01

    Nanophotonic structures with irregular symmetry, such as quasiperiodic plasmonic crystals, have gained an increasing amount of attention, in particular as potential candidates to enhance the absorption of solar cells in an angular insensitive fashion. To examine the photonic bandstructure of such systems that determines their optical properties, it is necessary to measure and model normal and oblique light interaction with plasmonic crystals. We determine the different propagation vectors and consider the interaction of all possible waveguide modes and particle plasmons in a 2D metallic photonic quasicrystal, in conjunction with the dispersion relations of a slab waveguide. Using a Fano model, we calculate the optical properties for normal and inclined light incidence. Comparing measurements of a quasiperiodic lattice to the modelled spectra for angle of incidence variation in both azimuthal and polar direction of the sample gives excellent agreement and confirms the predictive power of our model. PMID:23209871

  7. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  8. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  9. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  10. Remarks on thermalization in 2D CFT

    NASA Astrophysics Data System (ADS)

    de Boer, Jan; Engelhardt, Dalit

    2016-12-01

    We revisit certain aspects of thermalization in 2D conformal field theory (CFT). In particular, we consider similarities and differences between the time dependence of correlation functions in various states in rational and non-rational CFTs. We also consider the distinction between global and local thermalization and explain how states obtained by acting with a diffeomorphism on the ground state can appear locally thermal, and we review why the time-dependent expectation value of the energy-momentum tensor is generally a poor diagnostic of global thermalization. Since all 2D CFTs have an infinite set of commuting conserved charges, generic initial states might be expected to give rise to a generalized Gibbs ensemble rather than a pure thermal ensemble at late times. We construct the holographic dual of the generalized Gibbs ensemble and show that, to leading order, it is still described by a Banados-Teitelboim-Zanelli black hole. The extra conserved charges, while rendering c <1 theories essentially integrable, therefore seem to have little effect on large-c conformal field theories.

  11. The agreement between 3D, standard 2D and triplane 2D speckle tracking: effects of image quality and 3D volume rate.

    PubMed

    Trache, Tudor; Stöbe, Stephan; Tarr, Adrienn; Pfeiffer, Dietrich; Hagendorff, Andreas

    2014-12-01

    Comparison of 3D and 2D speckle tracking performed on standard 2D and triplane 2D datasets of normal and pathological left ventricular (LV) wall-motion patterns with a focus on the effect that 3D volume rate (3DVR), image quality and tracking artifacts have on the agreement between 2D and 3D speckle tracking. 37 patients with normal LV function and 18 patients with ischaemic wall-motion abnormalities underwent 2D and 3D echocardiography, followed by offline speckle tracking measurements. The values of 3D global, regional and segmental strain were compared with the standard 2D and triplane 2D strain values. Correlation analysis with the LV ejection fraction (LVEF) was also performed. The 3D and 2D global strain values correlated good in both normally and abnormally contracting hearts, though systematic differences between the two methods were observed. Of the 3D strain parameters, the area strain showed the best correlation with the LVEF. The numerical agreement of 3D and 2D analyses varied significantly with the volume rate and image quality of the 3D datasets. The highest correlation between 2D and 3D peak systolic strain values was found between 3D area and standard 2D longitudinal strain. Regional wall-motion abnormalities were similarly detected by 2D and 3D speckle tracking. 2DST of triplane datasets showed similar results to those of conventional 2D datasets. 2D and 3D speckle tracking similarly detect normal and pathological wall-motion patterns. Limited image quality has a significant impact on the agreement between 3D and 2D numerical strain values.

  12. Neural correlates of own- and other-race face recognition in children: a functional near-infrared spectroscopy study.

    PubMed

    Ding, Xiao Pan; Fu, Genyue; Lee, Kang

    2014-01-15

    The present study used the functional Near-infrared Spectroscopy (fNIRS) methodology to investigate the neural correlates of elementary school children's own- and other-race face processing. An old-new paradigm was used to assess children's recognition ability of own- and other-race faces. FNIRS data revealed that other-race faces elicited significantly greater [oxy-Hb] changes than own-race faces in the right middle frontal gyrus and inferior frontal gyrus regions (BA9) and the left cuneus (BA18). With increased age, the [oxy-Hb] activity differences between own- and other-race faces, or the neural other-race effect (NORE), underwent significant changes in these two cortical areas: at younger ages, the neural response to the other-race faces was modestly greater than that to the own-race faces, but with increased age, the neural response to the own-race faces became increasingly greater than that to the other-race faces. Moreover, these areas had strong regional functional connectivity with a swath of the cortical regions in terms of the neural other-race effect that also changed with increased age. We also found significant and positive correlations between the behavioral other-race effect (reaction time) and the neural other-race effect in the right middle frontal gyrus and inferior frontal gyrus regions (BA9). These results taken together suggest that children, like adults, devote different amounts of neural resources to processing own- and other-race faces, but the size and direction of the neural other-race effect and associated functional regional connectivity change with increased age.

  13. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy.

    PubMed

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268 ± 0.8340 mLO2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  14. Disease quantification in dermatology: in vivo near-infrared spectroscopy measures correlate strongly with the clinical assessment of psoriasis severity

    NASA Astrophysics Data System (ADS)

    Greve, Tanja Maria; Kamp, Søren; Jemec, Gregor B. E.

    2013-03-01

    Accurate documentation of disease severity is a prerequisite for clinical research and the practice of evidence-based medicine. The quantification of skin diseases such as psoriasis currently relies heavily on clinical scores. Although these clinical scoring methods are well established and very useful in quantifying disease severity, they require an extensive clinical experience and carry a risk of subjectivity. We explore the opportunity to use in vivo near-infrared (NIR) spectra as an objective and noninvasive method for local disease severity assessment in 31 psoriasis patients in whom selected plaques were scored clinically. A partial least squares (PLS) regression model was used to analyze and predict the severity scores on the NIR spectra of psoriatic and uninvolved skin. The correlation between predicted and clinically assigned scores was R=0.94 (RMSE=0.96), suggesting that in vivo NIR provides accurate clinical quantification of psoriatic plaques. Hence, NIR may be a practical solution to clinical severity assessment of psoriasis, providing a continuous, linear, numerical value of severity.

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

    PubMed Central

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

    2014-01-01

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

  16. Cross-correlation of motor activity signals from dc-magnetoencephalography, near-infrared spectroscopy, and electromyography.

    PubMed

    Sander, Tilmann H; Leistner, Stefanie; Wabnitz, Heidrun; Mackert, Bruno-Marcel; Macdonald, Rainer; Trahms, Lutz

    2010-01-01

    Neuronal and vascular responses due to finger movements were synchronously measured using dc-magnetoencephalography (dcMEG) and time-resolved near-infrared spectroscopy (trNIRS). The finger movements were monitored with electromyography (EMG). Cortical responses related to the finger movement sequence were extracted by independent component analysis from both the dcMEG and the trNIRS data. The temporal relations between EMG rate, dcMEG, and trNIRS responses were assessed pairwise using the cross-correlation function (CCF), which does not require epoch averaging. A positive lag on a scale of seconds was found for the maximum of the CCF between dcMEG and trNIRS. A zero lag is observed for the CCF between dcMEG and EMG. Additionally this CCF exhibits oscillations at the frequency of individual finger movements. These findings show that the dcMEG with a bandwidth up to 8 Hz records both slow and faster neuronal responses, whereas the vascular response is confirmed to change on a scale of seconds.

  17. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268±0.8340 mL O2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  18. Competing coexisting phases in 2D water

    NASA Astrophysics Data System (ADS)

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-05-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules.

  19. Competing coexisting phases in 2D water

    PubMed Central

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-01-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules. PMID:27185018

  20. Efficient 2D MRI relaxometry using compressed sensing

    NASA Astrophysics Data System (ADS)

    Bai, Ruiliang; Cloninger, Alexander; Czaja, Wojciech; Basser, Peter J.

    2015-06-01

    Potential applications of 2D relaxation spectrum NMR and MRI to characterize complex water dynamics (e.g., compartmental exchange) in biology and other disciplines have increased in recent years. However, the large amount of data and long MR acquisition times required for conventional 2D MR relaxometry limits its applicability for in vivo preclinical and clinical MRI. We present a new MR pipeline for 2D relaxometry that incorporates compressed sensing (CS) as a means to vastly reduce the amount of 2D relaxation data needed for material and tissue characterization without compromising data quality. Unlike the conventional CS reconstruction in the Fourier space (k-space), the proposed CS algorithm is directly applied onto the Laplace space (the joint 2D relaxation data) without compressing k-space to reduce the amount of data required for 2D relaxation spectra. This framework is validated using synthetic data, with NMR data acquired in a well-characterized urea/water phantom, and on fixed porcine spinal cord tissue. The quality of the CS-reconstructed spectra was comparable to that of the conventional 2D relaxation spectra, as assessed using global correlation, local contrast between peaks, peak amplitude and relaxation parameters, etc. This result brings this important type of contrast closer to being realized in preclinical, clinical, and other applications.

  1. Digit ratio (2D:4D) and hand preference for writing in the BBC Internet Study.

    PubMed

    Manning, J T; Peters, M

    2009-09-01

    The ratio of the length of the second to the fourth digit (2D:4D) may be negatively correlated with prenatal testosterone. Hand preference has been linked with prenatal testosterone and 2D:4D. Here we show that 2D:4D is associated with hand preference for writing in a large internet sample (n>170,000) in which participants self-reported their finger lengths. We replicated a significant association between right 2D:4D and writing hand preference (low right 2D:4D associated with left hand preference) as well as a significant correlation between writing hand preference and the difference between left and right 2D:4D or Dr-l (low Dr-l associated with left hand preference). A new significant correlation between left 2D:4D and writing hand preference was also shown (high left 2D:4D associated with left hand preference). There was a clear interaction between writing hand preference and 2D:4D: The left 2D:4D was significantly larger than the right 2D:4D in male and female left-handed writers, and the right hand 2D:4D was significantly larger than the left hand 2D:4D in male and female right-handed writers.

  2. Human- and computer-accessible 2D correlation data for a more reliable structure determination of organic compounds. Future roles of researchers, software developers, spectrometer managers, journal editors, reviewers, publisher and database managers toward artificial-intelligence analysis of NMR spectra.

    PubMed

    Jeannerat, Damien

    2017-01-01

    The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure. The record could be very compact, human and computer readable so that it can be included in the supplementary material of publications and easily transferred into databases of scientific literature and chemical compounds. The records will allow authors, reviewers and future users to test the consistency and, in favorable situations, the uniqueness of the assignment of the correlation data to the associated chemical structures. Ideally, the data format of the correlation data should include direct links to the NMR spectra to make it possible to validate their reliability and allow direct comparison of spectra. In order to take the full benefits of their potential, the correlation data and the NMR spectra should therefore follow any manuscript in the review process and be stored in open-access database after publication. Keeping all NMR spectra, correlation data and assigned structures together at all time will allow the future development of validation tools increasing the reliability of past and future NMR data. This will facilitate the development of artificial intelligence analysis of NMR spectra by providing a source of data than can be used efficiently because they have been validated or can be validated by future users. Copyright © 2016 John Wiley & Sons, Ltd.

  3. Could near-infrared Raman spectroscopy be correlated with the METAVIR scores in liver lesions induced by hepatitis C virus?

    NASA Astrophysics Data System (ADS)

    Gaggini, Marcio Cesar Reino; Navarro, Ricardo Scarparo; Stefanini, Aline Reis; Sano, Rubens Sato; Silveira, Landulfo

    2013-03-01

    The liver is responsible for several basic functions in human body how the syntheses of the most main proteins and degradation process of toxins, drugs and alcohols. In present days, the viral hepatitis C is one of the highest causes of chronic hepatic illness worldwide, affecting around 3% of the world population. The liver biopsy is considered the gold standard for diagnosing hepatic fibrosis; however, the biopsies may be questioned because of potential sampling error, morbidity, possible mortality and relatively high costs. Spectroscopy techniques such as Raman spectroscopy have been used for diagnosis of human tissues, with favorable results. Raman spectroscopy has been employed to distinguish normal from hepatic lesions through spectral features mainly of proteins, nucleic acids and lipids. In this study, eleven patients with diagnoses of chronic hepatitis C underwent hepatic biopsies having two hepatic fragments collected: one was scored through METAVIR system and the other one was submitted to near-infrared Raman spectroscopy using a dispersive spectrometer (830 nm wavelength, 300 mW laser power and 20 s exposure time). Five spectra were collected in each fragment and submitted to Principal Components Analysis (PCA). Results showed a good correlation between the Raman spectroscopy features and the stage of hepatic fibrosis and inflammation. PCA showed that samples with higher degree of fibrosis presented higher amount of protein features (collagen), whereas samples of higher degree of inflammation presented higher features of hemoglobin, in accordance to the expected evolution of the chronic hepatitis. It has been found an important biomarker for the beginning of hepatic lesion (quinone) with a spectral feature at 1595 cm-1.

  4. Hemodynamic measurements in rat brain and human muscle using diffuse near-infrared absorption and correlation spectroscopies

    NASA Astrophysics Data System (ADS)

    Yu, Guoqiang; Durduran, Turgut; Furuya, D.; Lech, G.; Zhou, Chao; Chance, Britten; Greenberg, J. H.; Yodh, Arjun G.

    2003-07-01

    Measurement of concentration, oxygenation, and flow characteristics of blood cells can reveal information about tissue metabolism and functional heterogeneity. An improved multifunctional hybrid system has been built on the basis of our previous hybrid instrument that combines two near-infrared diffuse optical techniques to simultaneously monitor the changes of blood flow, total hemoglobin concentration (THC) and blood oxygen saturation (StO2). Diffuse correlation spectroscopy (DCS) monitors blood flow (BF) by measuring the optical phase shifts caused by moving blood cells, while diffuse photon density wave spectroscopy (DPDW) measures tissue absorption and scattering. Higher spatial resolution, higher data acquisition rate and higher dynamic range of the improved system allow us to monitor rapid hemodynamic changes in rat brain and human muscles. We have designed two probes with different source-detector pairs and different separations for the two types of experiments. A unique non-contact probe mounted on the back of a camera, which allows continuous measurements without altering the blood flow, was employed to in vivo monitor the metabolic responses in rat brain during KCl induced cortical spreading depression (CSD). A contact probe was used to measure changes of blood flow and oxygenation in human muscle during and after cuff occlusion or exercise, where the non-contact probe is not appropriate for monitoring the moving target. The experimental results indicate that our multifunctional hybrid system is capable of in vivo and non-invasive monitoring of the hemodynamic changes in different tissues (smaller tissues in rat brain, larger tissues in human muscle) under different conditions (static versus moving). The time series images of flow during CSD obtained by our technique revealed spatial and temporal hemodynamic changes in rat brain. Two to three fold longer recovery times of flow and oxygenation after cuff occlusion or exercise from calf flexors in a

  5. Correlation of near infrared absorption and diffuse reflectance spectroscopy scattering with tissue neovascularization and collagen concentration in a diabetic rat wound healing model.

    PubMed

    Weingarten, Michael S; Papazoglou, Elisabeth S; Zubkov, Leonid; Zhu, Linda; Neidrauer, Michael; Savir, Guy; Peace, Kim; Newby, John G; Pourrezaei, Kambiz

    2008-01-01

    The objective of this paper was to correlate optical changes of tissue during wound healing measured by near infrared (NIR) and diffuse reflectance spectroscopy (DRS) with histologic changes in an animal model. Amplitude and phase of scattered light were obtained in a diabetic rat and control model and biopsies were taken for blood vessel ingrowth and collagen concentration. NIR absorption coefficient correlated with blood vessel ingrowth over time, in both the control and diabetic animals. DRS data correlated with collagen concentration. Previous publications by this group documented only the NIR changes during the wound healing process but this is the first reported correlation with histology data. The ability to correlate DRS scattering with collagen concentration during healing is another important and novel finding. This technology may play an important role clinically in assessing the efficacy of wound healing agents in diabetics.

  6. Rapid identification of Lonicerae japonicae Flos and Lonicerae Flos by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation analysis

    NASA Astrophysics Data System (ADS)

    Yan, Rui; Chen, Jian-bo; Sun, Su-qin; Guo, Bao-lin

    2016-11-01

    Lonicerae japonicae Flos (LJF) and Lonicerae Flos (LF) are widely-used herbs derived from several plants of the genus Lonicera with similar appearances. LF are usually misused or counterfeited as LJF for economically motivated adulteration. However, the saponins in LF may cause serious side-effects. In this research, the infrared spectroscopic tri-step identification approach is used to develop a simple and rapid method to discriminate LJF and LF to ensure the safety and efficacy of these herbal drugs. In the primary identification by Fourier transform infrared spectra, LJF and LF show different peaks near 1534, 1404, and 781 cm-1. In the secondary identification by the second derivative infrared spectra, LJF and LF show more different peaks near 1078, 1050, 988, 923, 855, 815, and 781 cm-1. In the tertiary identification by the two-dimensional correlation infrared spectra, the differences between LJF and LF are shown more remarkably and convincingly. The results show the potential of the infrared spectroscopic tri-step identification approach in the rapid identification of LJF and LF when the samples are too few to build a statistical recognition rule. This should be very helpful to ensure the quality, safety, and efficacy of LJF and LF for clinical applications.

  7. Discrimination of five species of Fritillaria and its extracts by FT-IR and 2D-IR

    NASA Astrophysics Data System (ADS)

    Li, Dan; Jin, Zhexiong; Zhou, Qun; Chen, Jianbo; Lei, Yu; Sun, Suqin

    2010-06-01

    Bulbus Fritillariae (in Chinese named Beimu), referred to the bulbs of several Fritillaria species ( Liliaceae), is a commonly used anti-tussive and expectorant herb in traditional Chinese medicine (TCM) for more than 2000 years. The objective of this study is to discriminate five species of Beimu herbs and their total alkaloid extracts by Fourier transform infrared spectroscopy (FT-IR), second derivative infrared spectroscopy, and two-dimensional correlation infrared spectroscopy (2D-IR) under thermal perturbation. The structural information of the samples indicated that, Beimu and their extract residues contain a large amount of starch, since some characteristic absorption peaks of the starch, such as 1158, 1080, 1015 and 987 cm -1 can be observed. Further more, the characteristic absorption peaks of the sulfate which arouse at 1120 ± 5 and 618 cm -1 in the IR spectra of Beimu aqueous extracts can be find. This validated that people used the sulfur fumigation method in the processing. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

  8. NKG2D ligands as therapeutic targets

    PubMed Central

    Spear, Paul; Wu, Ming-Ru; Sentman, Marie-Louise; Sentman, Charles L.

    2013-01-01

    The Natural Killer Group 2D (NKG2D) receptor plays an important role in protecting the host from infections and cancer. By recognizing ligands induced on infected or tumor cells, NKG2D modulates lymphocyte activation and promotes immunity to eliminate ligand-expressing cells. Because these ligands are not widely expressed on healthy adult tissue, NKG2D ligands may present a useful target for immunotherapeutic approaches in cancer. Novel therapies targeting NKG2D ligands for the treatment of cancer have shown preclinical success and are poised to enter into clinical trials. In this review, the NKG2D receptor and its ligands are discussed in the context of cancer, infection, and autoimmunity. In addition, therapies targeting NKG2D ligands in cancer are also reviewed. PMID:23833565

  9. Vector correlations study of the reaction N(2D)+H2(X1Σg+)→NH(a1Δ)+H(2S) with different collision energies and reagent vibration excitations

    NASA Astrophysics Data System (ADS)

    Li, Yong-Qing; Zhang, Yong-Jia; Zhao, Jin-Feng; Zhao, Mei-Yu; Ding, Yong

    2015-11-01

    Vector correlations of the reaction are studied based on a recent DMBE-SEC PES for the first excited state of NH2 [J. Phys. Chem. A 114 9644 (2010)] by using a quasi-classical trajectory method. The effects of collision energy and the reagent initial vibrational excitation on cross section and product polarization are investigated for v = 0-5 and j = 0 states in a wide collision energy range (10-50 kcal/mol). The integral cross section could be increased by H2 vibration excitation remarkably based on the DMBE-SEC PES. The different phenomena of differential cross sections with different collision energies and reagent vibration excitations are explained. Particularly, the NH molecules are scattered mainly in the backward hemisphere at low vibration quantum number and evolve from backward to forward direction with increasing vibration quantum number, which could be explained by the fact that the vibrational excitation enlarges the H-H distance in the entrance channel, thus enhancing the probability of collision between N atom and H atom. A further study on product polarization demonstrates that the collision energy and vibrational excitation of the reagent remarkably influence the distributions of P(θr), P(ϕr), and P(θr, ϕr). Project supported by the National Natural Science Foundation of China (Grant Nos. 11474141 and 11404080), the Special Fund Based Research New Technology of Methanol conversion and Coal Instead of Oil, the China Postdoctoral Science Foundation (Grant No. 2014M550158) , the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry of China (Grant No. 2014-1685), and the Program for Liaoning Excellent Talents in University, China (Grant Nos. LJQ2015040 and LJQ2014001).

  10. A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

    NASA Astrophysics Data System (ADS)

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  11. Quantitative 2D liquid-state NMR.

    PubMed

    Giraudeau, Patrick

    2014-06-01

    Two-dimensional (2D) liquid-state NMR has a very high potential to simultaneously determine the absolute concentration of small molecules in complex mixtures, thanks to its capacity to separate overlapping resonances. However, it suffers from two main drawbacks that probably explain its relatively late development. First, the 2D NMR signal is strongly molecule-dependent and site-dependent; second, the long duration of 2D NMR experiments prevents its general use for high-throughput quantitative applications and affects its quantitative performance. Fortunately, the last 10 years has witnessed an increasing number of contributions where quantitative approaches based on 2D NMR were developed and applied to solve real analytical issues. This review aims at presenting these recent efforts to reach a high trueness and precision in quantitative measurements by 2D NMR. After highlighting the interest of 2D NMR for quantitative analysis, the different strategies to determine the absolute concentrations from 2D NMR spectra are described and illustrated by recent applications. The last part of the manuscript concerns the recent development of fast quantitative 2D NMR approaches, aiming at reducing the experiment duration while preserving - or even increasing - the analytical performance. We hope that this comprehensive review will help readers to apprehend the current landscape of quantitative 2D NMR, as well as the perspectives that may arise from it.

  12. Experimental validation of equations for 2D DIC uncertainty quantification.

    SciTech Connect

    Reu, Phillip L.; Miller, Timothy J.

    2010-03-01

    Uncertainty quantification (UQ) equations have been derived for predicting matching uncertainty in two-dimensional image correlation a priori. These equations include terms that represent the image noise and image contrast. Researchers at the University of South Carolina have extended previous 1D work to calculate matching errors in 2D. These 2D equations have been coded into a Sandia National Laboratories UQ software package to predict the uncertainty for DIC images. This paper presents those equations and the resulting error surfaces for trial speckle images. Comparison of the UQ results with experimentally subpixel-shifted images is also discussed.

  13. NO EVIDENCE FOR EVOLUTION IN THE FAR-INFRARED-RADIO CORRELATION OUT TO z {approx} 2 IN THE EXTENDED CHANDRA DEEP FIELD SOUTH

    SciTech Connect

    Mao, Minnie Y.; Huynh, Minh T.; Helou, George; Norris, Ray P.; Dickinson, Mark; Frayer, Dave; Monkiewicz, Jacqueline A.

    2011-04-20

    We investigate the 70 {mu}m far-infrared-radio correlation (FRC) of star-forming galaxies in the Extended Chandra Deep Field South (ECDFS) out to z > 2. We use 70 {mu}m data from the Far-Infrared Deep Extragalactic Legacy Survey (FIDEL), which comprises the most sensitive ({approx}0.8 mJy rms) and extensive far-infrared deep field observations using MIPS on the Spitzer Space Telescope, and 1.4 GHz radio data ({approx}8 {mu}Jy beam{sup -1} rms) from the Very Large Array. In order to quantify the evolution of the FRC, we use both survival analysis and stacking techniques, which we find give similar results. We also calculate the FRC using total infrared luminosity and rest-frame radio luminosity, q{sub TIR}, and find that q{sub TIR} is constant (within 0.22) over the redshift range 0-2. We see no evidence for evolution in the FRC at 70 {mu}m, which is surprising given the many factors that are expected to change this ratio at high redshifts.

  14. Annotated Bibliography of EDGE2D Use

    SciTech Connect

    J.D. Strachan and G. Corrigan

    2005-06-24

    This annotated bibliography is intended to help EDGE2D users, and particularly new users, find existing published literature that has used EDGE2D. Our idea is that a person can find existing studies which may relate to his intended use, as well as gain ideas about other possible applications by scanning the attached tables.

  15. Staring 2-D hadamard transform spectral imager

    DOEpatents

    Gentry, Stephen M.; Wehlburg, Christine M.; Wehlburg, Joseph C.; Smith, Mark W.; Smith, Jody L.

    2006-02-07

    A staring imaging system inputs a 2D spatial image containing multi-frequency spectral information. This image is encoded in one dimension of the image with a cyclic Hadamarid S-matrix. The resulting image is detecting with a spatial 2D detector; and a computer applies a Hadamard transform to recover the encoded image.

  16. Prediction of individual milk proteins including free amino acids in bovine milk using mid-infrared spectroscopy and their correlations with milk processing characteristics.

    PubMed

    McDermott, A; Visentin, G; De Marchi, M; Berry, D P; Fenelon, M A; O'Connor, P M; Kenny, O A; McParland, S

    2016-04-01

    The aim of this study was to evaluate the effectiveness of mid-infrared spectroscopy in predicting milk protein and free amino acid (FAA) composition in bovine milk. Milk samples were collected from 7 Irish research herds and represented cows from a range of breeds, parities, and stages of lactation. Mid-infrared spectral data in the range of 900 to 5,000 cm(-1) were available for 730 milk samples; gold standard methods were used to quantify individual protein fractions and FAA of these samples with a view to predicting these gold standard protein fractions and FAA levels with available mid-infrared spectroscopy data. Separate prediction equations were developed for each trait using partial least squares regression; accuracy of prediction was assessed using both cross validation on a calibration data set (n=400 to 591 samples) and external validation on an independent data set (n=143 to 294 samples). The accuracy of prediction in external validation was the same irrespective of whether undertaken on the entire external validation data set or just within the Holstein-Friesian breed. The strongest coefficient of correlation obtained for protein fractions in external validation was 0.74, 0.69, and 0.67 for total casein, total β-lactoglobulin, and β-casein, respectively. Total proteins (i.e., total casein, total whey, and total lactoglobulin) were predicted with greater accuracy then their respective component traits; prediction accuracy using the infrared spectrum was superior to prediction using just milk protein concentration. Weak to moderate prediction accuracies were observed for FAA. The greatest coefficient of correlation in both cross validation and external validation was for Gly (0.75), indicating a moderate accuracy of prediction. Overall, the FAA prediction models overpredicted the gold standard values. Near-unity correlations existed between total casein and β-casein irrespective of whether the traits were based on the gold standard (0.92) or mid-infrared

  17. Complex Hydrocarbon Chemistry in Interstellar and Solar System Ices Revealed: A Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry Analysis of Ethane (C2H6) and D6-Ethane (C2D6) Ices Exposed to Ionizing Radiation

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

    The irradiation of pure ethane (C2H6/C2D6) ices at 5.5 K, under ultrahigh vacuum conditions was conducted to investigate the formation of complex hydrocarbons via interaction with energetic electrons simulating the secondary electrons produced in the track of galactic cosmic rays. The chemical modifications of the ices were monitored in situ using Fourier transform infrared spectroscopy (FTIR) and during temperature-programmed desorption via mass spectrometry exploiting a quadrupole mass spectrometer with electron impact ionization (EI-QMS) as well as a reflectron time-of-flight mass spectrometer coupled to a photoionization source (PI-ReTOF-MS). FTIR confirmed previous ethane studies by detecting six molecules: methane (CH4), acetylene (C2H2), ethylene (C2H4), the ethyl radical (C2H5), 1-butene (C4H8), and n-butane (C4H10). However, the TPD phase, along with EI-QMS, and most importantly, PI-ReTOF-MS, revealed the formation of at least 23 hydrocarbons, many for the first time in ethane ice, which can be arranged in four groups with an increasing carbon-to-hydrogen ratio: C n H2n+2 (n = 3, 4, 6, 8, 10), C n H2n (n = 3-10), {{{C}}}n{{{H}}}2n-2 (n = 3-10), and {{{C}}}n{{{H}}}2n-4 (n = 4-6). The processing of simple ethane ices is relevant to the hydrocarbon chemistry in the interstellar medium, as ethane has been shown to be a major product of methane, as well as in the outer solar system. These data reveal that the processing of ethane ices can synthesize several key hydrocarbons such as C3H4 and C4H6 isomers, which ha­ve been found to synthesize polycyclic aromatic hydrocarbons like indene (C9H8) and naphtha­lene (C10H8) in the ISM and in hydrocarbon-rich atmospheres of planets and their moons such as Titan.

  18. Differentiation of five species of Danggui raw materials by FTIR combined with 2D-COS IR

    NASA Astrophysics Data System (ADS)

    Li, Jian-Rui; Sun, Su-Qin; Wang, Xiao-Xiao; Xu, Chang-Hua; Chen, Jian-Bo; Zhou, Qun; Lu, Guang-Hua

    2014-07-01

    Five herbs named as Chinese Danggui (CDG), Japanese Danggui (JDG), Korea Danggui (KDG), Lovage root (LR) and Angelica root (AR) are widely and confusedly used in eastern and western countries owing to their homonym. These herbs come from different plant species resulting in the variety of bioactive components and medical efficacy. A method combing tri-step IR macro-fingerprinting techniques with statistical pattern recognition was therefore employed discriminate the five herbs in order to assure their genuineness. A total of 26 samples were collected and identified by conventional Fourier transform infrared (FTIR) spectroscopy, second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2D-COS IR) spectroscopy. CDG and KDG were easily differentiated from others herbs by FTIR and SD-IR spectra. The characteristic peaks of CDG were located at 1068, 1051, 990, 909 and 867 cm-1, whilst KDG contained the peaks located at 1628, 1565, 1392, 1232 and 1136 cm-1. By 2D-COS IR spectra, the bands in the range of 950-1110 cm-1 could be a characteristic range to identify the five herbs. There were six auto-peaks located at 978, 991, 1028 (strongest), 1061, 1071 and 1097 cm-1 for CDG, six auto-peaks at 975, 991, 1026, 1053, 1070 (strongest) and 1096 cm-1 for KDG, five auto-peaks at 970, 1009, 1037, 1070 and 1096 (strongest) cm-1 for JDG, five auto-peaks at 973 (strongest), 1009, 1033, 1072 and 1099 cm-1 for LR, and five auto-peaks at 974 (strongest), 1010, 1033, 1072 and 1099 cm-1 for AR. Classification analysis of FTIR showed that these species located in different clusters. The results indicate the tri-step infrared macro-fingerprinting combines with principle component analysis (PCA) is suitable to rapidly and nondestructively differentiate these herbs.

  19. Structure-Optical Property Correlations of Arsenic Sulfide Glasses in Visible, Infrared, and Sub-millimeter Regions

    SciTech Connect

    McCloy, John S.; Riley, Brian J.; Sundaram, S. K.; Qiao, Hong; Crum, Jarrod V.; Johnson, Bradley R.

    2010-06-01

    Optical properties and structural aspects of AsxS100-x glasses from visible to terahertz wavelengths were explored. A series of annealed, bulk AsxS100-x glasses (x = 30 to 42) were made and their refractive indices determined at terahertz, infrared, and visible frequencies using a combination of a quasi-optical backwards wave oscillator spectrometer for terahertz measurements and a prism coupler for visible and infrared measurements. It was found that refractive index at all frequencies increases with arsenic composition up to 40 atomic % arsenic then decreases with additional arsenic. Structure in x-ray diffraction patterns support the notion of a minimum volume at 40 atomic %, while the average covalent coordination number indicates the rigidity percolation threshold is reached there. At As concentrations > 40 atomic %, the network becomes over-constrained, the molar volume increases.

  20. Heritability of body surface temperature in hens estimated by infrared thermography at normal or hot temperatures and genetic correlations with egg and feather quality.

    PubMed

    Loyau, T; Zerjal, T; Rodenburg, T B; Fablet, J; Tixier-Boichard, M; Pinard-van der Laan, M H; Mignon-Grasteau, S

    2016-10-01

    Exposure of laying hens to chronic heat stress results in loss of egg production. It should be possible to improve hen resilience to chronic heat stress by genetic selection but measuring their sensitivity through internal temperature is time consuming and is not very precise. In this study we used infrared thermography to measure the hen's capacity to dissipate heat, in a commercial line of laying hens subjected to cycles of neutral (N, 19.6°C) or high (H, 28.4°C) ambient temperatures. Mean body temperatures (BT) were estimated from 9355 infrared images of wing, comb and shank taken from 1200 hens. Genetic parameters were estimated separately for N and H temperatures. Correlations between BT and plumage condition were also investigated. Wing temperature had low heritability (0.00 to 0.09), consistent with the fact that wing temperature mainly reflects the environmental temperature and is not a zone of heat dissipation. The heritability of comb temperature was higher, from 0.15 to 0.19 in N and H conditions, respectively. Finally, the shank temperature provided the highest heritability estimates, with values of 0.20 to 0.22 in H and N conditions, respectively. Taken together, these results show that heat dissipation is partly under genetic control. Interestingly, the genetic correlation between plumage condition and shank and comb temperatures indicated that birds with poor condition plumage also had the possibility to dissipate heat through featherless areas. Genetic correlations of temperature measurements with egg quality showed that temperatures were correlated with egg width and weight, yolk brightness and yellowness and Haugh units only under H conditions. In contrast, shell colour was correlated with leg temperature only at thermo-neutrality.

  1. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  2. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  3. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  4. 2D/3D switchable displays

    NASA Astrophysics Data System (ADS)

    Dekker, T.; de Zwart, S. T.; Willemsen, O. H.; Hiddink, M. G. H.; IJzerman, W. L.

    2006-02-01

    A prerequisite for a wide market acceptance of 3D displays is the ability to switch between 3D and full resolution 2D. In this paper we present a robust and cost effective concept for an auto-stereoscopic switchable 2D/3D display. The display is based on an LCD panel, equipped with switchable LC-filled lenticular lenses. We will discuss 3D image quality, with the focus on display uniformity. We show that slanting the lenticulars in combination with a good lens design can minimize non-uniformities in our 20" 2D/3D monitors. Furthermore, we introduce fractional viewing systems as a very robust concept to further improve uniformity in the case slanting the lenticulars and optimizing the lens design are not sufficient. We will discuss measurements and numerical simulations of the key optical characteristics of this display. Finally, we discuss 2D image quality, the switching characteristics and the residual lens effect.

  5. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L. A.; Hallquist, J. O.

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  6. Correlating Infrared and X-ray Absorption Energies for Molecular-Level Insight into Hydrogen Bond Making and Breaking in Solution.

    PubMed

    Prémont-Schwarz, Mirabelle; Schreck, Simon; Iannuzzi, Marcella; Nibbering, Erik T J; Odelius, Michael; Wernet, Philippe

    2015-06-25

    While ubiquitous, the making and breaking of hydrogen bonds in solution is notoriously difficult to study due to the associated complex changes of nuclear and electronic structures. With the aim to reduce the according uncertainty in correlating experimental observables and hydrogen-bond configurations, we combine the information from proximate methods to study the N-H···O hydrogen bond in solution. We investigate hydrogen-bonding of the N-H group of N-methylaniline with oxygen from liquid DMSO and acetone with infrared spectra in the N-H stretching region and X-ray absorption spectra at the N K-edge. We experimentally observe blue shifts of the infrared stretching band and an X-ray absorption pre-edge peak when going from DMSO to acetone. With ab initio molecular dynamics simulations and calculated spectra, we qualitatively reproduce the experimental observables but we do not reach quantitative agreement with experiment. The infrared spectra support the notion of weakening the N-H···O hydrogen bond from DMSO to acetone. However, we fail to theoretically reproduce the measured shift of the X-ray absorption pre-edge peak. We discuss possible shortcomings of the simulation models and spectrum calculations. Common features and distinct differences with the O-H···O hydrogen bond are highlighted, and the implications for monitoring hydrogen-bond breaking in solution are discussed.

  7. Chemical Approaches to 2D Materials.

    PubMed

    Samorì, Paolo; Palermo, Vincenzo; Feng, Xinliang

    2016-08-01

    Chemistry plays an ever-increasing role in the production, functionalization, processing and applications of graphene and other 2D materials. This special issue highlights a selection of enlightening chemical approaches to 2D materials, which nicely reflect the breadth of the field and convey the excitement of the individuals involved in it, who are trying to translate graphene and related materials from the laboratory into a real, high-impact technology.

  8. The far-infrared/radio correlation and radio spectral index of galaxies in the SFR-M∗ plane up to z~2

    NASA Astrophysics Data System (ADS)

    Magnelli, B.; Ivison, R. J.; Lutz, D.; Valtchanov, I.; Farrah, D.; Berta, S.; Bertoldi, F.; Bock, J.; Cooray, A.; Ibar, E.; Karim, A.; Le Floc'h, E.; Nordon, R.; Oliver, S. J.; Page, M.; Popesso, P.; Pozzi, F.; Rigopoulou, D.; Riguccini, L.; Rodighiero, G.; Rosario, D.; Roseboom, I.; Wang, L.; Wuyts, S.

    2015-01-01

    We study the evolution of the radio spectral index and far-infrared/radio correlation (FRC) across the star-formation rate - stellar masse (i.e. SFR-M∗) plane up to z ~ 2. We start from a stellar-mass-selected sample of galaxies with reliable SFR and redshift estimates. We then grid the SFR-M∗ plane in several redshift ranges and measure the infrared luminosity, radio luminosity, radio spectral index, and ultimately the FRC index (i.e. qFIR) of each SFR-M∗-z bin. The infrared luminosities of our SFR-M∗-z bins are estimated using their stacked far-infrared flux densities inferred from observations obtained with the Herschel Space Observatory. Their radio luminosities and radio spectral indices (i.e. α, where Sν ∝ ν-α) are estimated using their stacked 1.4 GHz and 610 MHz flux densities from the Very Large Array and Giant Metre-wave Radio Telescope, respectively. Our far-infrared and radio observations include the most widely studied blank extragalactic fields - GOODS-N, GOODS-S, ECDFS, and COSMOS - covering a total sky area of ~2.0 deg2. Using this methodology, we constrain the radio spectral index and FRC index of star-forming galaxies with M∗ > 1010 M⊙ and 0 correlation between qFIR and Δlog (SSFR)MS, though a weak positive trend, as observed in one of our redshift bins (i.e. Δ [ q

  9. How to turn your pump–probe instrument into a multidimensional spectrometer: 2D IR and Vis spectroscopies via pulse shaping

    PubMed Central

    Shim, Sang-Hee; Zanni, Martin T.

    2010-01-01

    We have recently developed a new and simple way of collecting 2D infrared and visible spectra that utilizes a pulse shaper and a partly collinear beam geometry. 2D IR and Vis spectroscopies are powerful tools for studying molecular structures and their dynamics. They can be used to correlate vibrational or electronic eigenstates, measure energy transfer rates, and quantify the dynamics of lineshapes, for instance, all with femtosecond time-resolution. As a result, they are finding use in systems that exhibit fast dynamics, such as sub-millisecond chemical and biological dynamics, and in hard-to-study environments, such as in membranes. While powerful, these techniques have been difficult to implement because they require a series of femtosecond pulses to be spatially and temporally overlapped with precise time-resolution and interferometric phase stability. However, many of the difficulties associated with implementing 2D spectroscopies are eliminated by using a pulse shaper and a simple beam geometry, which substantially lowers the technical barriers required for researchers to enter this exciting field while simultaneously providing many new capabilities. The aim of this paper is to provide an overview of the methods for collecting 2D spectra so that an outsider considering using 2D spectroscopy in their own research can judge which approach would be most suitable for their research aims. This paper focuses primarily on 2D IR spectroscopy, but also includes our recent work on adapting this technology to collecting 2D Vis spectra. We review work that has already been published as well as cover several topics that we have not reported previously, including phase cycling methods to remove background signals, eliminate unwanted scatter, and shift data collection into the rotating frame. PMID:19290321

  10. Macroscopic Violation of Three Cauchy-Schwarz Inequalities Using Correlated Light Beams From an Infra-Red Emitting Semiconductor Diode Array

    NASA Technical Reports Server (NTRS)

    Edwards, P. J.; Huang, X.; Li, Y. Q. (Editor); Wang, Y. Z. (Editor)

    1996-01-01

    We briefly review quantum mechanical and semi-classical descriptions of experiments which demonstrate the macroscopic violation of the three Cauchy-Schwarz inequalities: g(sup 2)(sub 11)(0) greater than or equal to 1; g(sup 2)(sub 11)(0) greater than or equal to g(sup 2)(sub 11)(t), (t approaches infinity); (the absolute value of g(sup 2)(sub 11)(0))(exp 2) less than or equal to g(sup 2)(sub 11)(0) g(sup 2)(sub 11)(0). Our measurements demonstrate the violation, at macroscopic intensities, of each of these inequalities. We show that their violation, although weak, can be demonstrated through photodetector current covariance measurements on correlated sub-Poissonian Poissonian, and super Poissonian light beams. Such beams are readily generated by a tandem array of infrared-emitting semiconductor junction diodes. Our measurements utilize an electrically coupled array of one or more infrared-emitting diodes, optically coupled to a detector array. The emitting array is operated in such a way as to generate highly correlated beams of variable photon Fano Factor. Because the measurements are made on time scales long compared with the first order coherence time and with detector areas large compared with the corresponding coherence areas, first order interference effects are negligible. The first and second inequalities are violated, as expected, when a sub-Poissonian light beam is split and the intensity fluctuations of the two split beams are measured by two photodetectors and subsequently cross-correlated. The third inequality is violated by bunched (as well as anti-bunched) beams of equal intensity provided the measured cross correlation coefficient exceeds (F - 1)/F, where F is the measured Fano Factor of each beam. We also investigate the violation for the case of unequal beams.

  11. Simultaneous fNIRS and thermal infrared imaging during cognitive task reveal autonomic correlates of prefrontal cortex activity

    NASA Astrophysics Data System (ADS)

    Pinti, Paola; Cardone, Daniela; Merla, Arcangelo

    2015-12-01

    Functional Near Infrared-Spectroscopy (fNIRS) represents a powerful tool to non-invasively study task-evoked brain activity. fNIRS assessment of cortical activity may suffer for contamination by physiological noises of different origin (e.g. heart beat, respiration, blood pressure, skin blood flow), both task-evoked and spontaneous. Spontaneous changes occur at different time scales and, even if they are not directly elicited by tasks, their amplitude may result task-modulated. In this study, concentration changes of hemoglobin were recorded over the prefrontal cortex while simultaneously recording the facial temperature variations of the participants through functional infrared thermal (fIR) imaging. fIR imaging provides touch-less estimation of the thermal expression of peripheral autonomic. Wavelet analysis revealed task-modulation of the very low frequency (VLF) components of both fNIRS and fIR signals and strong coherence between them. Our results indicate that subjective cognitive and autonomic activities are intimately linked and that the VLF component of the fNIRS signal is affected by the autonomic activity elicited by the cognitive task. Moreover, we showed that task-modulated changes in vascular tone occur both at a superficial and at larger depth in the brain. Combined use of fNIRS and fIR imaging can effectively quantify the impact of VLF autonomic activity on the fNIRS signals.

  12. Simultaneous fNIRS and thermal infrared imaging during cognitive task reveal autonomic correlates of prefrontal cortex activity

    PubMed Central

    Pinti, Paola; Cardone, Daniela; Merla, Arcangelo

    2015-01-01

    Functional Near Infrared-Spectroscopy (fNIRS) represents a powerful tool to non-invasively study task-evoked brain activity. fNIRS assessment of cortical activity may suffer for contamination by physiological noises of different origin (e.g. heart beat, respiration, blood pressure, skin blood flow), both task-evoked and spontaneous. Spontaneous changes occur at different time scales and, even if they are not directly elicited by tasks, their amplitude may result task-modulated. In this study, concentration changes of hemoglobin were recorded over the prefrontal cortex while simultaneously recording the facial temperature variations of the participants through functional infrared thermal (fIR) imaging. fIR imaging provides touch-less estimation of the thermal expression of peripheral autonomic. Wavelet analysis revealed task-modulation of the very low frequency (VLF) components of both fNIRS and fIR signals and strong coherence between them. Our results indicate that subjective cognitive and autonomic activities are intimately linked and that the VLF component of the fNIRS signal is affected by the autonomic activity elicited by the cognitive task. Moreover, we showed that task-modulated changes in vascular tone occur both at a superficial and at larger depth in the brain. Combined use of fNIRS and fIR imaging can effectively quantify the impact of VLF autonomic activity on the fNIRS signals. PMID:26632763

  13. 2D IR spectra of cyanide in water investigated by molecular dynamics simulations

    USGS Publications Warehouse

    Lee, Myung Won; Carr, Joshua K.; Göllner, Michael; Hamm, Peter; Meuwly, Markus

    2013-01-01

    Using classical molecular dynamics simulations, the 2D infrared (IR) spectroscopy of CN− solvated in D2O is investigated. Depending on the force field parametrizations, most of which are based on multipolar interactions for the CN− molecule, the frequency-frequency correlation function and observables computed from it differ. Most notably, models based on multipoles for CN− and TIP3P for water yield quantitatively correct results when compared with experiments. Furthermore, the recent finding that T 1 times are sensitive to the van der Waals ranges on the CN− is confirmed in the present study. For the linear IR spectrum, the best model reproduces the full widths at half maximum almost quantitatively (13.0 cm−1 vs. 14.9 cm−1) if the rotational contribution to the linewidth is included. Without the rotational contribution, the lines are too narrow by about a factor of two, which agrees with Raman and IR experiments. The computed and experimental tilt angles (or nodal slopes) α as a function of the 2D IR waiting time compare favorably with the measured ones and the frequency fluctuation correlation function is invariably found to contain three time scales: a sub-ps, 1 ps, and one on the 10-ps time scale. These time scales are discussed in terms of the structural dynamics of the surrounding solvent and it is found that the longest time scale (≈10 ps) most likely corresponds to solvent exchange between the first and second solvation shell, in agreement with interpretations from nuclear magnetic resonance measurements.

  14. Instantons in 2D U(1) Higgs model and 2D CP(N-1) sigma models

    NASA Astrophysics Data System (ADS)

    Lian, Yaogang

    2007-12-01

    In this thesis I present the results of a study of the topological structures of 2D U(1) Higgs model and 2D CP N-1 sigma models. Both models have been studied using the overlap Dirac operator construction of topological charge density. The overlap operator provides a more incisive probe into the local topological structure of gauge field configurations than the traditional plaquette-based operator. In the 2D U(1) Higgs model, we show that classical instantons with finite sizes violate the negativity of topological charge correlator by giving a positive contribution to the correlator at non-zero separation. We argue that instantons in 2D U(1) Higgs model must be accompanied by large quantum fluctuations in order to solve this contradiction. In 2D CPN-1 sigma models, we observe the anomalous scaling behavior of the topological susceptibility chi t for N ≤ 3. The divergence of chi t in these models is traced to the presence of small instantons with a radius of order a (= lattice spacing), which are directly observed on the lattice. The observation of these small instantons provides detailed confirmation of Luscher's argument that such short-distance excitations, with quantized topological charge, should be the dominant topological fluctuations in CP1 and CP 2, leading to a divergent topological susceptibility in the continuum limit. For the CPN-1 models with N > 3 the topological susceptibility is observed to scale properly with the mass gap. Another topic presented in this thesis is an implementation of the Zolotarev optimal rational approximation for the overlap Dirac operator. This new implementation has reduced the time complexity of the overlap routine from O(N3 ) to O(N), where N is the total number of sites on the lattice. This opens up a door to more accurate lattice measurements in the future.

  15. 2D FT-IR Study of Compositional and Structural Change in Developing Cotton Fibers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of immature and mature cotton fibers. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity of 660 cm-1 to ...

  16. Two-dimensional correlation analysis and waterfall plots for detecting positional fluctuations of spectral changes.

    PubMed

    Ryu, Soo Ryeon; Noda, Isao; Lee, Chang-Hee; Lee, Phil Ho; Hwang, Hyonseok; Jung, Young Mee

    2011-04-01

    In this study, we demonstrate the potentials and pitfalls of using various waterfall plots, such as conventional waterfall plots, two-dimensional (2D) gradient maps, moving window two-dimensional analysis (MW2D), perturbation-correlation moving window two-dimensional analysis (PCMW2D), and moving window principal component analysis two-dimensional correlation analysis (MWPCA2D), in the detection of the existence of band position shifts. Waterfall plots of the simulated spectral datasets are compared with conventional 2D correlation spectra. Different waterfall plots give different features in differentiating the behaviors of frequency shift versus two overlapped bands. Two-dimensional correlation spectra clearly show the very characteristic cluster pattern for both band position shifts and two overlapped bands. The vivid pattern differences are readily detectable in various waterfalls plots. Various types of waterfall plots of temperature-dependent infrared (IR) spectra of ethylene glycol, which does not have the actual band shift but only two overlapped bands, and of Fourier transform infrared (FT-IR) spectra of 2 wt% acetone in a mixed solvent of CHCl(3)/CCl(4) demonstrate that waterfall plots are not able to unambiguously detect the difference between real band shift and two overlapped bands. Thus, the presence or lack of the asynchronous 2D butterfly pattern seems like the most effective diagnostic tool for band shift detection.

  17. Identification of the Excited-State C═C and C═O Modes of trans-β-Apo-8'-carotenal with Transient 2D-IR-EXSY and Femtosecond Stimulated Raman Spectroscopy.

    PubMed

    Di Donato, Mariangela; Ragnoni, Elena; Lapini, Andrea; Kardaś, Tomasz M; Ratajska-Gadomska, Boźena; Foggi, Paolo; Righini, Roberto

    2015-05-07

    Assigning the vibrational modes of molecules in the electronic excited state is often a difficult task. Here we show that combining two nonlinear spectroscopic techniques, transient 2D exchange infrared spectroscopy (T2D-IR-EXSY) and femtosecond stimulated Raman spectroscopy (FSRS), the contribution of the C═C and C═O modes in the excited-state vibrational spectra of trans-β-apo-8'-carotenal can be unambiguously identified. The experimental results reported in this work confirm a previously proposed assignment based on quantum-chemical calculations and further strengthen the role of an excited state with charge-transfer character in the relaxation pathway of carbonyl carotenoids. On a more general ground, our results highlight the potentiality of nonlinear spectroscopic methods based on the combined use of visible and infrared pulses to correlate structural and electronic changes in photoexcited molecules.

  18. Orthotropic Piezoelectricity in 2D Nanocellulose

    NASA Astrophysics Data System (ADS)

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-10-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V‑1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  19. Orthotropic Piezoelectricity in 2D Nanocellulose

    PubMed Central

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-01-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V−1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies. PMID:27708364

  20. Orthotropic Piezoelectricity in 2D Nanocellulose.

    PubMed

    García, Y; Ruiz-Blanco, Yasser B; Marrero-Ponce, Yovani; Sotomayor-Torres, C M

    2016-10-06

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V(-1), ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  1. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  2. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  3. 2D microwave imaging reflectometer electronics.

    PubMed

    Spear, A G; Domier, C W; Hu, X; Muscatello, C M; Ren, X; Tobias, B J; Luhmann, N C

    2014-11-01

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  4. Assessing 2D electrophoretic mobility spectroscopy (2D MOSY) for analytical applications.

    PubMed

    Fang, Yuan; Yushmanov, Pavel V; Furó, István

    2016-12-08

    Electrophoretic displacement of charged entity phase modulates the spectrum acquired in electrophoretic NMR experiments, and this modulation can be presented via 2D FT as 2D mobility spectroscopy (MOSY) spectra. We compare in various mixed solutions the chemical selectivity provided by 2D MOSY spectra with that provided by 2D diffusion-ordered spectroscopy (DOSY) spectra and demonstrate, under the conditions explored, a superior performance of the former method. 2D MOSY compares also favourably with closely related LC-NMR methods. The shape of 2D MOSY spectra in complex mixtures is strongly modulated by the pH of the sample, a feature that has potential for areas such as in drug discovery and metabolomics. Copyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd. StartCopTextCopyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.

  5. A scanning-mode 2D shear wave imaging (s2D-SWI) system for ultrasound elastography.

    PubMed

    Qiu, Weibao; Wang, Congzhi; Li, Yongchuan; Zhou, Juan; Yang, Ge; Xiao, Yang; Feng, Ge; Jin, Qiaofeng; Mu, Peitian; Qian, Ming; Zheng, Hairong

    2015-09-01

    Ultrasound elastography is widely used for the non-invasive measurement of tissue elasticity properties. Shear wave imaging (SWI) is a quantitative method for assessing tissue stiffness. SWI has been demonstrated to be less operator dependent than quasi-static elastography, and has the ability to acquire quantitative elasticity information in contrast with acoustic radiation force impulse (ARFI) imaging. However, traditional SWI implementations cannot acquire two dimensional (2D) quantitative images of the tissue elasticity distribution. This study proposes and evaluates a scanning-mode 2D SWI (s2D-SWI) system. The hardware and image processing algorithms are presented in detail. Programmable devices are used to support flexible control of the system and the image processing algorithms. An analytic signal based cross-correlation method and a Radon transformation based shear wave speed determination method are proposed, which can be implemented using parallel computation. Imaging of tissue mimicking phantoms, and in vitro, and in vivo imaging test are conducted to demonstrate the performance of the proposed system. The s2D-SWI system represents a new choice for the quantitative mapping of tissue elasticity, and has great potential for implementation in commercial ultrasound scanners.

  6. 2D Distributed Sensing Via TDR

    DTIC Science & Technology

    2007-11-02

    plate VEGF CompositeSensor Experimental Setup Air 279 mm 61 78 VARTM profile: slope RTM profile: rectangle 22 1 Jul 2003© 2003 University of Delaware...2003 University of Delaware All rights reserved Vision: Non-contact 2D sensing ü VARTM setup constructed within TL can be sensed by its EM field: 2D...300.0 mm/ns. 1 2 1 Jul 2003© 2003 University of Delaware All rights reserved Model Validation “ RTM Flow” TDR Response to 139 mm VEGC

  7. Inkjet printing of 2D layered materials.

    PubMed

    Li, Jiantong; Lemme, Max C; Östling, Mikael

    2014-11-10

    Inkjet printing of 2D layered materials, such as graphene and MoS2, has attracted great interests for emerging electronics. However, incompatible rheology, low concentration, severe aggregation and toxicity of solvents constitute critical challenges which hamper the manufacturing efficiency and product quality. Here, we introduce a simple and general technology concept (distillation-assisted solvent exchange) to efficiently overcome these challenges. By implementing the concept, we have demonstrated excellent jetting performance, ideal printing patterns and a variety of promising applications for inkjet printing of 2D layered materials.

  8. 2D:4D Ratio and its Implications in Medicine

    PubMed Central

    Jeevanandam, Saravanakumar

    2016-01-01

    Digit ratios, especially 2D:4D ratio, a potential proxy marker for prenatal androgen exposure shows sexual dimorphism. Existing literature and recent research show accumulating evidence on 2D:4D ratio showing correlations with various phenotypic traits in humans. Ratio of 2D:4D is found to correlate negatively to testosterone and positively to oestrogen in the foetus. Interestingly, it is constant since birth and not influenced by the adult hormone levels. Usually, males have lower ratios when compared to females. Prenatal androgen exposure and therefore, digit ratios have been reported to be associated with numerical competencies, spatial skills, handedness, cognitive abilities, academic performance, sperm counts, personalities and prevalence of obesity, migraine, eating disorders, depression, myopia, autism etc. The authors have attempted to write a brief account on the digit ratios and the dimorphism observed in various physiological, psychological and behavioural traits. Also, the authors have discussed the relevant molecular basics and the methods of measurement of digit ratios. PMID:28208851

  9. [Study on the Tibetan medicine Swertia mussotii Franch and its extracts by Fourier transform infrared spectroscopy].

    PubMed

    Yang, Hong-Xia; Ma, Fang; Du, Yu-Zhi; Sun, Su-Qin; Wei, Li-Xin

    2014-11-01

    The objective of the present study is to research the herb of Swertia mussotii Franch and its different extracts by tristep infrared spectroscopy. The main constitute of Swertia mussotii Franch-gentiamarin, which is also the higher content constitute, was selected as the control components to analyze the infrared spectroscopy and second derivative infrared spectroscopy of different extracts of Swertia mussotii Franch, at the same time, the different concentration of ethanol extracts were also analyzed by two-dimensional correlation spectroscopy (2D-COS). The results indicated that the intensity of 1 611 and 1 075 cm(-1) of gentiamarin, which are its two main absorptions in the infrared spectra, has the positive correlation with the content change in different extracts. The infrared spectroscopy of extracts are similar if the polarity of extract solvents is close; with the decreases in solution polarity, the intensity of 2 853, 1 733, 1 464, 1 277 and 1 161 cm(-1) in infrared spectroscopy of different extracts is increased, the content of esters and the extraction percentage terpenoid compounds are also increased; the different concentration of ethanol extracts has obviously difference when they are analyzed by two-dimensional correlation spectroscopy (2D-COS). The positive correlation between the intensity of absorptions and the content of the gentiamarin indicates that the infrared spectroscopy can reflect the content change in constitute; the similar and the change trend of the different concentrations of ethanol extract infrared spectroscopy approve the scientificalness of decoction of traditional medicine; infrared spectroscopy that used in the research can be used as an accurate, rapid and effective method in the pharmacological activity tests of transitional herbal Swertia mussotii F. and it's different extracts, even in the research on the tibetan medicine.

  10. Holomorphy, triality, and nonperturbative beta function in 2D supersymmetric QCD

    NASA Astrophysics Data System (ADS)

    Gadde, Abhijit

    2016-07-01

    In this paper, we study the RG flow in the nonlinear sigma models obtained from a 2D N =(0 ,2 ) supersymmetric QCD. The sigma model is parametrized by a single Kahler modulus. We determine its exact nonperturbative beta function using holomorphy, triality and the knowledge of the infrared fixed point.

  11. Structural Complexity and Phonon Physics in 2D Arsenenes.

    PubMed

    Carrete, Jesús; Gallego, Luis J; Mingo, Natalio

    2017-03-15

    In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends crucially on temperature. We also show that one of those four phases is in fact mechanically unstable. Furthermore, our results challenge the common assumption of an inverse correlation between structural complexity and thermal conductivity. Instead, a richer picture emerges from our results, showing how harmonic interactions, anharmonicity, and symmetries all play a role in modulating thermal conduction in arsenenes. More generally, our conclusions highlight how vibrational properties are an essential element to be carefully taken into account in theoretical searches for new 2D materials.

  12. The Relationship Between Digit Ratio (2D:4D) and Sexual Orientation in Men from China.

    PubMed

    Xu, Yin; Zheng, Yong

    2016-04-01

    We examined the relationship between 2D:4D digit ratio and sexual orientation in men from China and analyzed the influences of the components used to assess sexual orientation and the criteria used to classify individuals as homosexual on this relationship. A total of 309 male and 110 female participants took part in a web-based survey. Our results showed that heterosexual men had a significantly lower 2D:4D than heterosexual women and exclusively homosexual men had a significantly higher left 2D:4D than heterosexual men whereas only exclusively homosexual men had a significantly higher right 2D:4D than heterosexual men when sexual orientation was assessed via sexual attraction. The left 2D:4D showed a significant positive correlation with sexual identity, sexual attraction, and sexual behavior, and the right 2D:4D showed a significant positive correlation with sexual attraction. The effect sizes for differences in 2D:4D between homosexual and heterosexual men varied according to criteria used to classify individuals as homosexual and sexual orientation components; the more stringent the criteria (scores closer to the homosexual category), the larger the effect sizes; further, sexual attraction yielded the largest effect size. There were no significant effects of age and latitude on Chinese 2D:4D. This study contributes to the current understanding of the relationship between 2D:4D and male sexual orientation.

  13. Parallel Stitching of 2D Materials.

    PubMed

    Ling, Xi; Lin, Yuxuan; Ma, Qiong; Wang, Ziqiang; Song, Yi; Yu, Lili; Huang, Shengxi; Fang, Wenjing; Zhang, Xu; Hsu, Allen L; Bie, Yaqing; Lee, Yi-Hsien; Zhu, Yimei; Wu, Lijun; Li, Ju; Jarillo-Herrero, Pablo; Dresselhaus, Mildred; Palacios, Tomás; Kong, Jing

    2016-03-23

    Diverse parallel stitched 2D heterostructures, including metal-semiconductor, semiconductor-semiconductor, and insulator-semiconductor, are synthesized directly through selective "sowing" of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. The methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  14. The basics of 2D DIGE.

    PubMed

    Beckett, Phil

    2012-01-01

    The technique of two-dimensional (2D) gel electrophoresis is a powerful tool for separating complex mixtures of proteins, but since its inception in the mid 1970s, it acquired the stigma of being a very difficult application to master and was generally used to its best effect by experts. The introduction of commercially available immobilized pH gradients in the early 1990s provided enhanced reproducibility and easier protocols, leading to a pronounced increase in popularity of the technique. However gel-to-gel variation was still difficult to control without the use of technical replicates. In the mid 1990s (at the same time as the birth of "proteomics"), the concept of multiplexing fluorescently labeled proteins for 2D gel separation was realized by Jon Minden's group and has led to the ability to design experiments to virtually eliminate gel-to-gel variation, resulting in biological replicates being used for statistical analysis with the ability to detect very small changes in relative protein abundance. This technology is referred to as 2D difference gel electrophoresis (2D DIGE).

  15. Parallel stitching of 2D materials

    DOE PAGES

    Ling, Xi; Wu, Lijun; Lin, Yuxuan; ...

    2016-01-27

    Diverse parallel stitched 2D heterostructures, including metal–semiconductor, semiconductor–semiconductor, and insulator–semiconductor, are synthesized directly through selective “sowing” of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. Lastly, the methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  16. Acousto-Optic Processing of 2-D Signals Using Temporal and Spatial Integration.

    DTIC Science & Technology

    1983-05-31

    Documents includes data on: Architectures; Coherence Properties of Pulsed Laser Diodes; Acousto - optic device data; Dynamic Range Issues; Image correlation; Synthetic aperture radar; 2-D Fourier transform; and Moments.

  17. 2D resistivity method in delineating subsurface problems in urban area

    NASA Astrophysics Data System (ADS)

    Nordiana, M. M.; Saad, Rosli; Teh Saufia, A. H. A.; Azwin, I. N.; Ali, Nisa'; Hidayah, Noer El

    2013-05-01

    2D resistivity is carried out to detect spread saturated zone and subsurface problems cause by the presence of underground river, which resulted from selected urban area at Selangor, Malaysia. Six 2D resistivity survey lines with minimum 5 m electrode spacing were executed using Pole-dipole array. Borehole was carried out at multiple locations in the study area. Subsequently, the borehole was used to verify the 2D resistivity results. Interpretation of 2D resistivity data showed a low resistivity value (< 40 ohm-m), which appears to be a zone that is fully saturated with sandy silt and this could be an influence factor the increasing water level because sandy silt is highly permeable in nature. The borehole, support the results of 2D resistivity method relating a saturated zone in the survey area. There is a good correlation between the 2D resistivity investigations and the results of borehole records.

  18. Detecting deception in the brain: a functional near-infrared spectroscopy study of neural correlates of intentional deception

    NASA Astrophysics Data System (ADS)

    Bunce, Scott C.; Devaraj, Ajit; Izzetoglu, Meltem; Onaral, Banu; Pourrezaei, Kambiz

    2005-05-01

    Little is known about the neurological underpinnings of deliberate deception. Recent advances in the detection of deception have examined brain responses during experimental deception protocols. A consensus has begun to emerge across the handful of functional magnetic resonance imaging (fMRI) studies that have examined deception implicating areas of the dorsolateral and inferior prefrontal cortex as active during deliberate deception. The purpose of the current study was to determine the utility of functional near-infrared spectroscopy (fNIR), a neuroimaging technique that allows reasonable ecological utility, for the detection of deception. Using a modified version of the Guilty Knowledge Task, participants attempted to conceal the identity of a playing card they were holding while dorsolateral and inferior frontal cortices were monitored with fNIR. The results revealed increased activation in bilateral inferior frontal gyri (BA 47/45) and middle frontal gyri (BA 46/10) when participants were lying. The results provide evidence that inferior and middle prefrontal cortical areas are associated at least some forms of deliberate deception. fNIR has the potential to provide a field-deployable brain-based method for the detection of deception.

  19. Functional near-infrared spectroscopy-based correlates of prefrontal cortical dynamics during a cognitive-motor executive adaptation task

    PubMed Central

    Gentili, Rodolphe J.; Shewokis, Patricia A.; Ayaz, Hasan; Contreras-Vidal, José L.

    2013-01-01

    This study investigated changes in brain hemodynamics, as measured by functional near infrared spectroscopy, during performance of a cognitive-motor adaptation task. The adaptation task involved the learning of a novel visuomotor transformation (a 60° counterclockwise screen-cursor rotation), which required inhibition of a prepotent visuomotor response. A control group experienced a familiar transformation and thus, did not face any executive challenge. Analysis of the experimental group hemodynamic responses revealed that the performance enhancement was associated with a monotonic reduction in the oxygenation level in the prefrontal cortex. This finding confirms and extends functional magnetic resonance imaging and electroencephalography studies of visuomotor adaptation and learning. The changes in prefrontal brain activation suggest an initial recruitment of frontal executive functioning to inhibit prepotent visuomotor mappings followed by a progressive de-recruitment of the same prefrontal regions. The prefrontal hemodynamic changes observed in the experimental group translated into enhanced motor performance revealed by a reduction in movement time, movement extent, root mean square error and the directional error. These kinematic adaptations are consistent with the acquisition of an internal model of the novel visuomotor transformation. No comparable change was observed in the control group for either the hemodynamics or for the kinematics. This study (1) extends our understanding of the frontal executive processes from the cognitive to the cognitive-motor domain and (2) suggests that optical brain imaging can be employed to provide hemodynamic based-biomarkers to assess and monitor the level of adaptive cognitive-motor performance. PMID:23847489

  20. The neural correlates of the face attractiveness aftereffect: a functional near-infrared spectroscopy (fNIRS) study.

    PubMed

    Fu, Genyue; Mondloch, Catherine J; Ding, Xiao Pan; A Short, Lindsey; Sun, Liping; Lee, Kang

    2014-01-15

    Extensive behavioral evidence shows that our internal representation of faces, or face prototype, can be dynamically updated by immediate experience. This is illustrated by the robust attractiveness aftereffect phenomenon whereby originally unattractive faces become attractive after we are exposed to a set of unattractive faces. Although behavioral evidence suggests this effect to have a strong neural basis, limited neuroimaging evidence exists. Here we used functional near-infrared spectroscopy methodology (fNIRS) to bridge this gap. During the pre-adaptation trials, participants judged the attractiveness of three sets of faces: normal/undistorted faces, compressed faces (the internal features and distances between them were compressed), and expanded faces (the internal features and distances between them were stretched). Then, participants were shown extremely compressed faces for 5 min as adaptation stimuli, after which participants judged the same three sets of faces in post-adaptation trials. Behaviorally, after the adaptation trials, participants rated the compressed faces more attractive whereas they judged the other two sets of faces as less attractive, replicating the robust adaptation effect. fNIRS results showed that short-term exposure to compressed faces led to significant decreases in neural activity to all face types, but in a more extended network of cortical regions in the frontal and occipital cortexes for undistorted faces. Taken together, these findings suggest that the face attractiveness aftereffect mainly reflects changes in the neural representation of the face prototype in response to recent exposures to new face exemplars.

  1. Bedside monitoring of subcutaneous interstitial glucose in type 1 diabetic subjects using microdialysis and infrared spectrometry with optimal correlation to blood glucose concentrations

    NASA Astrophysics Data System (ADS)

    Heise, H. Michael; Damm, Uwe; Kondepati, Venkata R.; Mader, J. K.; Ellmerer, M.

    2007-02-01

    Infrared spectroscopy has been successfully employed in multi-component assays for the study of various biomedical samples. Two areas have found particular interest, i.e. in-vitro analysis in the clinical laboratory and point-of-care applications. With regard to the latter field, in-vivo blood glucose monitoring is an important topic for improving glycemic control in critically ill patients with non-adequate blood glucose regulation, similar to the situation faced for diabetic patients. For such application, a continuously operated mid-infrared spectroscopic system in combination with a subcutaneously implanted microdialysis probe and coupled by micro-fluidics has been developed. Using the dialysis process, the interstitial fluid matrix can be significantly simplified, since high molecular mass compounds such as proteins are separated. However, the micro-dialysis recovery rate is variable over time, so that a simultaneous determination of this parameter was implemented using the losses of an acetate marker from the perfusate across the dialysis membrane. Clinical measurements were carried out on type 1 diabetic subjects, with experiments lasting up to 28 hours. The concentrations of glucose, acetate and other components in the dialysates from interstitial body fluids were investigated. Two different multivariate calibration strategies, i.e. partial least squares (PLS) and classical least squares (CLS) regressions were applied. The results led to excellent correlation of the subcutaneous interstitial concentrations with those of laboratory blood glucose readings. Clarke-Error-Grid evaluations were employed for assessing the clinical applicability of the method.

  2. Determining the radio active galactic nuclei contribution to the radio-far-infrared correlation using the black hole Fundamental Plane relation

    NASA Astrophysics Data System (ADS)

    Wong, O. Ivy; Koss, M. J.; Schawinski, K.; Kapińska, A. D.; Lamperti, I.; Oh, K.; Ricci, C.; Berney, S.; Trakhtenbrot, B.

    2016-08-01

    We investigate the 1.4-GHz radio properties of 92 nearby (z < 0.05) ultra-hard X-ray selected active galactic nuclei (AGNs) from the Swift Burst Alert Telescope (BAT) sample. Through the ultra-hard X-ray selection, we minimize the biases against obscured or Compton-thick AGNs as well as confusion with emission derived from star formation that typically affect AGN samples selected from the ultraviolet, optical and infrared wavelengths. We find that all the objects in our sample of nearby, ultra-hard X-ray selected AGNs are radio quiet; 83 per cent of the objects are classed as high-excitation galaxies and 17 per cent as low-excitation galaxies. While these low-z BAT sources follow the radio-far-infrared correlation in a similar fashion to star-forming galaxies, our analysis finds that there is still significant AGN contribution in the observed radio emission from these radio-quiet AGNs. In fact, the majority of our BAT sample occupy the same X-ray-radio Fundamental Plane as has been observed in other samples, which include radio-loud AGNs - evidence that the observed radio emission (albeit weak) is connected to the AGN accretion mechanism, rather than star formation.

  3. Tracking the curing process of automotive paint by moving-window two-dimensional infrared correlation spectroscopy and principal component analysis

    NASA Astrophysics Data System (ADS)

    Chen, Jian-bo; Sun, Su-qin; Yu, Jing; Zhou, Qun

    2014-07-01

    Moving-window two-dimensional correlation spectroscopy (MW2DCOS) and principal component analysis (PCA) were combined to interpret the time serial infrared spectra. The curing process of an automotive paint sample was tracked by attenuated total reflection Fourier transform infrared spectroscopy. Score plots of the first and second principal components showed that the curing process contained three stages. Meanwhile, the loading spectra indicated that the solvent was a mixture of aromatic compounds. Absorption peaks which changed significantly in each stage were revealed by auto-peak MW2DCOS. Furthermore, point-line and point-point MW2DCOS demonstrated the time-resolved relationship between absorption peaks from toluene, xylene and resin. In summary, the evaporation of toluene was the first stage of the curing process of this automotive paint sample. Next, the mixture of o-xylene, m-xylene and p-xylene began to evaporate in the second stage. After the evaporation of the solvent, the solid paint membrane was formed. For the interpretation of the time serial spectra, PCA is useful to estimate the number of significant chemical components and to find out the important turning points of the process, while MW2DCOS can show the changes of the spectral peaks and the relationship between them step by step. The combination of PCA and MW2DCOS is very interesting to extract and display the time-resolved information in the time serial spectra.

  4. Planck Lensing and Cosmic Infrared Background Cross-correlation with Fermi-LAT: Tracing Dark Matter Signals in the Gamma-ray Background

    NASA Astrophysics Data System (ADS)

    Feng, Chang; Cooray, Asantha; Keating, Brian

    2017-02-01

    The extragalactic γ-ray background and its spatial anisotropy could potentially contain a signature of dark matter (DM) annihilation or particle decay. Astrophysical foregrounds, such as blazars and star-forming galaxies (SFGs), however, dominate the γ-ray background, precluding an easy detection of the signal associated with the DM annihilation or decay in the background intensity spectrum. The DM imprint on the γ-ray background is expected to be correlated with large-scale structure tracers. In some cases, such a cross-correlation is even expected to have a higher signal-to-noise ratio than the auto-correlation. One reliable tracer of the DM distribution in the large-scale structure is lensing of the cosmic microwave background (CMB), and the cosmic infrared background (CIB) is a reliable tracer of SFGs. We analyze Fermi-LAT data taken over 92 months and study the cross-correlation with Planck CMB lensing, Planck CIB, and Fermi-γ maps. We put upper limits on the DM annihilation cross-section from the cross-power spectra with the γ-ray background anisotropies. The unbiased power spectrum estimation is validated with simulations that include cross-correlated signals. We also provide a set of systematic tests and show that no significant contaminations are found for the measurements presented here. Using γ-ray background map from data gathered over 92 months, we find the best constraint on the DM annihilation with a 1σ confidence level upper limit of 10‑25–10‑24 cm3 s‑1, when the mass of DM particles is between 20 and 100 GeV.

  5. Correlation between near infrared emission and bismuth radical species of Bi{sub 2}O{sub 3}-containing aluminoborate glass

    SciTech Connect

    Masai, Hirokazu; Takahashi, Yoshihiro; Fujiwara, Takumi; Suzuki, Takenobu; Ohishi, Yasutake

    2009-11-15

    A strong correlation between bismuth radical species and emission in the near infrared (NIR) region of SnO-doped bismuth-containing aluminoborate glass, (CaO-B{sub 2}O{sub 3}-Bi{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-TiO{sub 2}) (CaBBAT), was observed. Since the activation energy of the NIR emission was similar to that of electron spin resonance signal, it is expected that bismuth radical species in the CaBBAT glass is an origin of the NIR emission. Compared to the observed emission spectra with energy diagram of previous data, we have confirmed that bismuth ion possessing low valence is the origin of broad emission in the NIR region.

  6. A flow system for generation of concentration perturbation in two-dimensional correlation near-infrared spectroscopy: application to variable selection in multivariate calibration.

    PubMed

    Pereira, Claudete Fernandes; Pasquini, Celio

    2010-05-01

    A flow system is proposed to produce a concentration perturbation in liquid samples, aiming at the generation of two-dimensional correlation near-infrared spectra. The system presents advantages in relation to batch systems employed for the same purpose: the experiments are accomplished in a closed system; application of perturbation is rapid and easy; and the experiments can be carried out with micro-scale volumes. The perturbation system has been evaluated in the investigation and selection of relevant variables for multivariate calibration models for the determination of quality parameters of gasoline, including ethanol content, MON (motor octane number), and RON (research octane number). The main advantage of this variable selection approach is the direct association between spectral features and chemical composition, allowing easy interpretation of the regression models.

  7. Correlation between skin, bone, and cerebrospinal fluid layer thickness and optical coefficients measured by multidistance frequency-domain near-infrared spectroscopy in term and preterm infants

    NASA Astrophysics Data System (ADS)

    Demel, Anja; Feilke, Katharina; Wolf, Martin; Poets, Christian F.; Franz, Axel R.

    2014-01-01

    Near-infrared spectroscopy (NIRS) is increasingly used in neonatal intensive care. We investigated the impact of skin, bone, and cerebrospinal fluid (CSF) layer thickness in term and preterm infants on absorption-(μa) and/or reduced scattering coefficients (μs‧) measured by multidistance frequency-domain (FD)-NIRS. Transcranial ultrasound was performed to measure the layer thicknesses. Correlations were only statistically significant for μa at 692 nm with bone thickness and μs‧ at 834 nm with skin thickness. There is no evidence that skin, bone, or CSF thickness have an important effect on μa and μs‧. Layer thicknesses of skin, bone, and CSF in the range studied do not seem to affect cerebral oxygenation measurements by multidistance FD-NIRS significantly.

  8. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology

    PubMed Central

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct “beyond graphene” domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials. PMID:26861346

  9. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology.

    PubMed

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-02-06

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct "beyond graphene" domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials.

  10. 4D scattering amplitudes and asymptotic symmetries from 2D CFT

    NASA Astrophysics Data System (ADS)

    Cheung, Clifford; de la Fuente, Anton; Sundrum, Raman

    2017-01-01

    We reformulate the scattering amplitudes of 4D flat space gauge theory and gravity in the language of a 2D CFT on the celestial sphere. The resulting CFT structure exhibits an OPE constructed from 4D collinear singularities, as well as infinite-dimensional Kac-Moody and Virasoro algebras encoding the asymptotic symmetries of 4D flat space. We derive these results by recasting 4D dynamics in terms of a convenient foliation of flat space into 3D Euclidean AdS and Lorentzian dS geometries. Tree-level scattering amplitudes take the form of Witten diagrams for a continuum of (A)dS modes, which are in turn equivalent to CFT correlators via the (A)dS/CFT dictionary. The Ward identities for the 2D conserved currents are dual to 4D soft theorems, while the bulk-boundary propagators of massless (A)dS modes are superpositions of the leading and subleading Weinberg soft factors of gauge theory and gravity. In general, the massless (A)dS modes are 3D Chern-Simons gauge fields describing the soft, single helicity sectors of 4D gauge theory and gravity. Consistent with the topological nature of Chern-Simons theory, Aharonov-Bohm effects record the "tracks" of hard particles in the soft radiation, leading to a simple characterization of gauge and gravitational memories. Soft particle exchanges between hard processes define the Kac-Moody level and Virasoro central charge, which are thereby related to the 4D gauge coupling and gravitational strength in units of an infrared cutoff. Finally, we discuss a toy model for black hole horizons via a restriction to the Rindler region.

  11. Compatible embedding for 2D shape animation.

    PubMed

    Baxter, William V; Barla, Pascal; Anjyo, Ken-Ichi

    2009-01-01

    We present new algorithms for the compatible embedding of 2D shapes. Such embeddings offer a convenient way to interpolate shapes having complex, detailed features. Compared to existing techniques, our approach requires less user input, and is faster, more robust, and simpler to implement, making it ideal for interactive use in practical applications. Our new approach consists of three parts. First, our boundary matching algorithm locates salient features using the perceptually motivated principles of scale-space and uses these as automatic correspondences to guide an elastic curve matching algorithm. Second, we simplify boundaries while maintaining their parametric correspondence and the embedding of the original shapes. Finally, we extend the mapping to shapes' interiors via a new compatible triangulation algorithm. The combination of our algorithms allows us to demonstrate 2D shape interpolation with instant feedback. The proposed algorithms exhibit a combination of simplicity, speed, and accuracy that has not been achieved in previous work.

  12. Schottky diodes from 2D germanane

    NASA Astrophysics Data System (ADS)

    Sahoo, Nanda Gopal; Esteves, Richard J.; Punetha, Vinay Deep; Pestov, Dmitry; Arachchige, Indika U.; McLeskey, James T.

    2016-07-01

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  13. Extrinsic Cation Selectivity of 2D Membranes

    PubMed Central

    2017-01-01

    From a systematic study of the concentration driven diffusion of positive and negative ions across porous 2D membranes of graphene and hexagonal boron nitride (h-BN), we prove their cation selectivity. Using the current–voltage characteristics of graphene and h-BN monolayers separating reservoirs of different salt concentrations, we calculate the reversal potential as a measure of selectivity. We tune the Debye screening length by exchanging the salt concentrations and demonstrate that negative surface charge gives rise to cation selectivity. Surprisingly, h-BN and graphene membranes show similar characteristics, strongly suggesting a common origin of selectivity in aqueous solvents. For the first time, we demonstrate that the cation flux can be increased by using ozone to create additional pores in graphene while maintaining excellent selectivity. We discuss opportunities to exploit our scalable method to use 2D membranes for applications including osmotic power conversion. PMID:28157333

  14. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Lin, Jerry

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  15. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Lin, Jerry

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  16. Correlation of brain tissue oxygen tension with cerebral near-infrared spectroscopy and mixed venous oxygen saturation during extracorporeal membrane oxygenation.

    PubMed

    Tyree, Kreangkai; Tyree, Melissa; DiGeronimo, Robert

    2009-09-01

    The aim of this prospective, animal study was to compare brain tissue oxygen tension (PbtO(2)) with cerebral near infrared spectroscopy (NIRS) and mixed venous oxygen saturation (SVO(2)) during venoarterial extracorporeal membrane oxygenation (VA ECMO) in a porcine model. This was accomplished using twelve immature piglets with surgically implanted catheters placed in the superficial cerebral cortex to measure brain PbtO(2) and microdialysis metabolites. The NIRS sensor was placed overlying the forehead to measure cerebral regional saturation index (rSO(2)i) while SVO(2) was measured directly from the ECMO circuit. Animals were placed on VA ECMO followed by an initial period of stabilization, after which they were subjected to graded hypoxia and recovery. Our results revealed that rSO(2)i and SVO(2) correlated only marginally with PbtO(2) (R(2)=0.32 and R(2)=0.26, respectively) while the correlation between rSO(2)i and SVO( 2) was significantly stronger (R(2)=0.59). Cerebral metabolites and rSO(2)i were significantly altered during attenuation of PbtO( 2), p<0.05). A subset of animals, following exposure to hypoxia, experienced markedly delayed recovery of both rSO(2)i and PbtO( 2) despite rapid normalization of SVO(2). Upon further analysis, these animals had significantly lower blood pressure (p=0.001), lower serum pH (p=0.01), and higher serum lactate (p=0.02). Additionally, in this subgroup, rSO(2)i correlated better with PbtO(2) (R(2)=0.76). These findings suggest that, in our ECMO model, rSO(2)i and SVO( 2) correlate reasonably well with each other, but not necessarily with brain PbtO(2) and that NIRS-derived rSO(2)i may more accurately reflect cerebral tissue hypoxia in sicker animals.

  17. Quasiparticle interference in unconventional 2D systems

    NASA Astrophysics Data System (ADS)

    Chen, Lan; Cheng, Peng; Wu, Kehui

    2017-03-01

    At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe2), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.

  18. Compact 2-D graphical representation of DNA

    NASA Astrophysics Data System (ADS)

    Randić, Milan; Vračko, Marjan; Zupan, Jure; Novič, Marjana

    2003-05-01

    We present a novel 2-D graphical representation for DNA sequences which has an important advantage over the existing graphical representations of DNA in being very compact. It is based on: (1) use of binary labels for the four nucleic acid bases, and (2) use of the 'worm' curve as template on which binary codes are placed. The approach is illustrated on DNA sequences of the first exon of human β-globin and gorilla β-globin.

  19. 2D Metals by Repeated Size Reduction.

    PubMed

    Liu, Hanwen; Tang, Hao; Fang, Minghao; Si, Wenjie; Zhang, Qinghua; Huang, Zhaohui; Gu, Lin; Pan, Wei; Yao, Jie; Nan, Cewen; Wu, Hui

    2016-10-01

    A general and convenient strategy for manufacturing freestanding metal nanolayers is developed on large scale. By the simple process of repeatedly folding and calendering stacked metal sheets followed by chemical etching, free-standing 2D metal (e.g., Ag, Au, Fe, Cu, and Ni) nanosheets are obtained with thicknesses as small as 1 nm and with sizes of the order of several micrometers.

  20. Realistic and efficient 2D crack simulation

    NASA Astrophysics Data System (ADS)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  1. Volumetric elasticity imaging with a 2-D CMUT array.

    PubMed

    Fisher, Ted G; Hall, Timothy J; Panda, Satchi; Richards, Michael S; Barbone, Paul E; Jiang, Jingfeng; Resnick, Jeff; Barnes, Steve

    2010-06-01

    This article reports the use of a two-dimensional (2-D) capacitive micro-machined ultrasound transducer (CMUT) to acquire radio-frequency (RF) echo data from relatively large volumes of a simple ultrasound phantom to compare three-dimensional (3-D) elasticity imaging methods. Typical 2-D motion tracking for elasticity image formation was compared with three different methods of 3-D motion tracking, with sum-squared difference (SSD) used as the similarity measure. Differences among the algorithms were the degree to which they tracked elevational motion: not at all (2-D search), planar search, combination of multiple planes and plane independent guided search. The cross-correlation between the predeformation and motion-compensated postdeformation RF echo fields was used to quantify motion tracking accuracy. The lesion contrast-to-noise ratio was used to quantify image quality. Tracking accuracy and strain image quality generally improved with increased tracking sophistication. When used as input for a 3-D modulus reconstruction, high quality 3-D displacement estimates yielded accurate and low noise modulus reconstruction.

  2. Volumetric Elasticity Imaging with a 2D CMUT Array

    PubMed Central

    Fisher, Ted G.; Hall, Timothy J.; Panda, Satchi; Richards, Michael S.; Barbone, Paul E.; Jiang, Jingfeng; Resnick, Jeff; Barnes, Steve

    2010-01-01

    This paper reports the use of a two-dimensional (2D) capacitive micro-machined ultrasound transducer (CMUT) to acquire radio frequency (RF) echo data from relatively large volumes of a simple ultrasound phantom to compare 3D elasticity imaging methods. Typical 2D motion tracking for elasticity image formation was compared to three different methods of 3D motion tracking, with sum-squared difference (SSD) used as the similarity measure. Differences among the algorithms were the degree to which they tracked elevational motion: not at all (2D search), planar search, combination of multiple planes, and plane independent guided search. The cross correlation between the pre-deformation and motion-compensated post-deformation RF echo fields was used to quantify motion tracking accuracy. The lesion contrast-to-noise ratio was used to quantify image quality. Tracking accuracy and strain image quality generally improved with increased tracking sophistication. When used as input for a 3D modulus reconstruction, high quality 3D displacement estimates yielded accurate and low noise modulus reconstruction. PMID:20510188

  3. Engineering light outcoupling in 2D materials.

    PubMed

    Lien, Der-Hsien; Kang, Jeong Seuk; Amani, Matin; Chen, Kevin; Tosun, Mahmut; Wang, Hsin-Ping; Roy, Tania; Eggleston, Michael S; Wu, Ming C; Dubey, Madan; Lee, Si-Chen; He, Jr-Hau; Javey, Ali

    2015-02-11

    When light is incident on 2D transition metal dichalcogenides (TMDCs), it engages in multiple reflections within underlying substrates, producing interferences that lead to enhancement or attenuation of the incoming and outgoing strength of light. Here, we report a simple method to engineer the light outcoupling in semiconducting TMDCs by modulating their dielectric surroundings. We show that by modulating the thicknesses of underlying substrates and capping layers, the interference caused by substrate can significantly enhance the light absorption and emission of WSe2, resulting in a ∼11 times increase in Raman signal and a ∼30 times increase in the photoluminescence (PL) intensity of WSe2. On the basis of the interference model, we also propose a strategy to control the photonic and optoelectronic properties of thin-layer WSe2. This work demonstrates the utilization of outcoupling engineering in 2D materials and offers a new route toward the realization of novel optoelectronic devices, such as 2D LEDs and solar cells.

  4. Irreversibility-inversions in 2D turbulence

    NASA Astrophysics Data System (ADS)

    Bragg, Andrew; de Lillo, Filippo; Boffetta, Guido

    2016-11-01

    We consider a recent theoretical prediction that for inertial particles in 2D turbulence, the nature of the irreversibility of their pair dispersion inverts when the particle inertia exceeds a certain value. In particular, when the particle Stokes number, St , is below a certain value, the forward-in-time (FIT) dispersion should be faster than the backward-in-time (BIT) dispersion, but for St above this value, this should invert so that BIT becomes faster than FIT dispersion. This non-trivial behavior arises because of the competition between two physically distinct irreversibility mechanisms that operate in different regimes of St . In 3D turbulence, both mechanisms act to produce faster BIT than FIT dispersion, but in 2D, the two mechanisms have opposite effects because of the inverse energy cascade in the turbulent velocity field. We supplement the qualitative argument given by Bragg et al. by deriving quantitative predictions of this effect in the short-time dispersion limit. These predictions are then confirmed by results of inertial particle dispersion in a direct numerical simulation of 2D turbulence.

  5. Numerical modelling of spallation in 2D hydrodynamics codes

    NASA Astrophysics Data System (ADS)

    Maw, J. R.; Giles, A. R.

    1996-05-01

    A model for spallation based on the void growth model of Johnson has been implemented in 2D Lagrangian and Eulerian hydrocodes. The model has been extended to treat complete separation of material when voids coalesce and to describe the effects of elevated temperatures and melting. The capabilities of the model are illustrated by comparison with data from explosively generated spall experiments. Particular emphasis is placed on the prediction of multiple spall effects in weak, low melting point, materials such as lead. The correlation between the model predictions and observations on the strain rate dependence of spall strength is discussed.

  6. 2D superconductivity by ionic gating

    NASA Astrophysics Data System (ADS)

    Iwasa, Yoshi

    2D superconductivity is attracting a renewed interest due to the discoveries of new highly crystalline 2D superconductors in the past decade. Superconductivity at the oxide interfaces triggered by LaAlO3/SrTiO3 has become one of the promising routes for creation of new 2D superconductors. Also, the MBE grown metallic monolayers including FeSe are also offering a new platform of 2D superconductors. In the last two years, there appear a variety of monolayer/bilayer superconductors fabricated by CVD or mechanical exfoliation. Among these, electric field induced superconductivity by electric double layer transistor (EDLT) is a unique platform of 2D superconductivity, because of its ability of high density charge accumulation, and also because of the versatility in terms of materials, stemming from oxides to organics and layered chalcogenides. In this presentation, the following issues of electric filed induced superconductivity will be addressed; (1) Tunable carrier density, (2) Weak pinning, (3) Absence of inversion symmetry. (1) Since the sheet carrier density is quasi-continuously tunable from 0 to the order of 1014 cm-2, one is able to establish an electronic phase diagram of superconductivity, which will be compared with that of bulk superconductors. (2) The thickness of superconductivity can be estimated as 2 - 10 nm, dependent on materials, and is much smaller than the in-plane coherence length. Such a thin but low resistance at normal state results in extremely weak pinning beyond the dirty Boson model in the amorphous metallic films. (3) Due to the electric filed, the inversion symmetry is inherently broken in EDLT. This feature appears in the enhancement of Pauli limit of the upper critical field for the in-plane magnetic fields. In transition metal dichalcogenide with a substantial spin-orbit interactions, we were able to confirm the stabilization of Cooper pair due to its spin-valley locking. This work has been supported by Grant-in-Aid for Specially

  7. Use of near infrared correlation spectroscopy for quantitation of surface iron, absorbed water and stored electronic energy in a suite of Mars soil analog materials

    NASA Technical Reports Server (NTRS)

    Coyne, Lelia M.; Banin, Amos; Carle, Glenn; Orenberg, James; Scattergood, Thomas

    1989-01-01

    A number of questions concerning the surface mineralogy and the history of water on Mars remain unresolved using the Viking analyses and Earth-based telescopic data. Identification and quantitation of iron-bearing clays on Mars would elucidate these outstanding issues. Near infrared correlation analysis, a method typically applied to qualitative and quantitative analysis of individual constituents of multicomponent mixtures, is adapted here to selection of distinctive features of a small, highly homologous series of Fe/Ca-exchanged montmorillonites and several kalinites. Independently determined measures of surface iron, relative humidity and stored electronic energy were used as constituent data for linear regression of the constituent vs. reflectance data throughout the spectral region 0.68 to 2.5 micrometers. High correlations were found in appropriate regions for all three constituents, though that with stored energy is still considered tenuous. Quantitation was improved using 1st and 2nd derivative spectra. High resolution data over a broad spectral range would be required to quantitatively identify iron-bearing clays by remotely sensed reflectance.

  8. Serotonin transporter polymorphism modulates neural correlates of real-life joint action. An investigation with functional near-infrared spectroscopy (fNIRS).

    PubMed

    Herrmann, M J; Bogon, J; Quester, S; Cordes, A; Stenneken, P; Reif, A; Ehlis, A-C

    2015-04-30

    A functional polymorphism (5-HTTLPR) within the serotonin transporter gene (SERT) has been associated with personality dimensions such as neuroticism, with emotional reactivity to negative events, and with an increased risk of affective disorders. More specifically, the short (S) allele of 5-HTTLPR has been linked to increased amygdala activity and has been identified as a risk allele for depressive disorders. Recently, Homberg and Lesch (2011) urged for a conceptual change in the current deficit-oriented connotation of the 5-HTTLPR S-allele and argued that the S-allele could be considered adaptive in certain contexts. They postulated that S-allele carriers show hypervigilant behavior in social situations and should thus show increased social conformity. Therefore, we tested whether 5-HTTLPR modulates the neural correlates of real-life social joint action through functional near-infrared spectroscopy (fNIRS). Thirty participants, homozygote for 5-HTTLPR, were measured and analyzed while they were involved in a previously published joint-action paradigm, which reliably leads to an activation of the left parietal cortex. We found that homozygote S-allele carriers showed increased inferior parietal lobe activation, compared to the LL-allele carriers for the contrast "joint action greater solo action". Therefore, our results provide evidence for beneficial effects of the S-allele on the neural correlates of social interactions.

  9. Correlation of functional and resting state connectivity of cerebral oxy-, deoxy-, and total hemoglobin concentration changes measured by near-infrared spectrophotometry

    NASA Astrophysics Data System (ADS)

    Wolf, Ursula; Toronov, Vladislav; Choi, Jee H.; Gupta, Rajarsi; Michalos, Antonios; Gratton, Enrico; Wolf, Martin

    2011-08-01

    The aim is to study cerebral vascular functional connectivity during motor tasks and resting state using multichannel frequency-domain near-infrared spectrophotometry. Maps of 5.7 × 10.8 cm size displaying changes in cerebral oxyhemoglobin (O2Hb), deoxyhemoglobin (HHb), and total hemoglobin (tHb) concentrations were measured in the motor cortex in 12 subjects (mean age of 28.8+/-12.7 yrs) during resting state and during two palm squeezing tasks with different timing. For each condition, phase plane plots, cross correlation functions, and connectivity indices were generated for O2Hb, HHb, and tHb. The amplitude of the concentration changes in O2Hb and HHb depends on the age of the subject. We found large regions of connectivity, which were similar for resting state and task conditions. This means the spatial relationships during resting state, when changes in O2Hb, HHb, and tHb corresponded to spontaneous oscillations, were correlated to the spatial patterns during the activation tasks, when changes in O2Hb, HHb, and tHb concentration were related to the alternation of stimulation and rest. Thus, the vascular functional connectivity was also present during resting state. The findings suggest that the vascular response to functional activation may be a nonlinear synchronization phenomenon and that resting state processes are more important than previously expected.

  10. Calibration of diffuse correlation spectroscopy with a time-resolved near-infrared technique to yield absolute cerebral blood flow measurements

    PubMed Central

    Diop, Mamadou; Verdecchia, Kyle; Lee, Ting-Yim; St Lawrence, Keith

    2011-01-01

    A primary focus of neurointensive care is the prevention of secondary brain injury, mainly caused by ischemia. A noninvasive bedside technique for continuous monitoring of cerebral blood flow (CBF) could improve patient management by detecting ischemia before brain injury occurs. A promising technique for this purpose is diffuse correlation spectroscopy (DCS) since it can continuously monitor relative perfusion changes in deep tissue. In this study, DCS was combined with a time-resolved near-infrared technique (TR-NIR) that can directly measure CBF using indocyanine green as a flow tracer. With this combination, the TR-NIR technique can be used to convert DCS data into absolute CBF measurements. The agreement between the two techniques was assessed by concurrent measurements of CBF changes in piglets. A strong correlation between CBF changes measured by TR-NIR and changes in the scaled diffusion coefficient measured by DCS was observed (R2 = 0.93) with a slope of 1.05 ± 0.06 and an intercept of 6.4 ± 4.3% (mean ± standard error). PMID:21750781

  11. Correlation of functional and resting state connectivity of cerebral oxy-, deoxy-, and total hemoglobin concentration changes measured by near-infrared spectrophotometry.

    PubMed

    Wolf, Ursula; Toronov, Vladislav; Choi, Jee H; Gupta, Rajarsi; Michalos, Antonios; Gratton, Enrico; Wolf, Martin

    2011-08-01

    The aim is to study cerebral vascular functional connectivity during motor tasks and resting state using multichannel frequency-domain near-infrared spectrophotometry. Maps of 5.7 × 10.8 cm size displaying changes in cerebral oxyhemoglobin (O(2)Hb), deoxyhemoglobin (HHb), and total hemoglobin (tHb) concentrations were measured in the motor cortex in 12 subjects (mean age of 28.8±12.7 yrs) during resting state and during two palm squeezing tasks with different timing. For each condition, phase plane plots, cross correlation functions, and connectivity indices were generated for O(2)Hb, HHb, and tHb. The amplitude of the concentration changes in O(2)Hb and HHb depends on the age of the subject. We found large regions of connectivity, which were similar for resting state and task conditions. This means the spatial relationships during resting state, when changes in O(2)Hb, HHb, and tHb corresponded to spontaneous oscillations, were correlated to the spatial patterns during the activation tasks, when changes in O(2)Hb, HHb, and tHb concentration were related to the alternation of stimulation and rest. Thus, the vascular functional connectivity was also present during resting state. The findings suggest that the vascular response to functional activation may be a nonlinear synchronization phenomenon and that resting state processes are more important than previously expected.

  12. Low-frequency oscillations measured in the periphery with near-infrared spectroscopy are strongly correlated with blood oxygen level-dependent functional magnetic resonance imaging signals

    NASA Astrophysics Data System (ADS)

    Tong, Yunjie; Hocke, Lia Maria; Licata, Stephanie C.; deB. Frederick, Blaise

    2012-10-01

    Low-frequency oscillations (LFOs) in the range of 0.01-0.15 Hz are commonly observed in functional imaging studies, such as blood oxygen level-dependent functional magnetic resonance imaging (BOLD fMRI) and functional near-infrared spectroscopy (fNIRS). Some of these LFOs are nonneuronal and are closely related to autonomic physiological processes. In the current study, we conducted a concurrent resting-state fMRI and NIRS experiment with healthy volunteers. LFO data was collected simultaneously at peripheral sites (middle fingertip and big toes) by NIRS, and centrally in the brain by BOLD fMRI. The cross-correlations of the LFOs collected from the finger, toes, and brain were calculated. Our data show that the LFOs measured in the periphery (NIRS signals) and in the brain (BOLD fMRI) were strongly correlated with varying time delays. This demonstrates that some portion of the LFOs actually reflect systemic physiological circulatory effects. Furthermore, we demonstrated that NIRS is effective for measuring the peripheral LFOs, and that these LFOs and the temporal shifts between them are consistent in healthy participants and may serve as useful biomarkers for detecting and monitoring circulatory dysfunction.

  13. Correlative near-infrared light and cathodoluminescence microscopy using Y2O3:Ln, Yb (Ln = Tm, Er) nanophosphors for multiscale, multicolour bioimaging

    NASA Astrophysics Data System (ADS)

    Fukushima, S.; Furukawa, T.; Niioka, H.; Ichimiya, M.; Sannomiya, T.; Tanaka, N.; Onoshima, D.; Yukawa, H.; Baba, Y.; Ashida, M.; Miyake, J.; Araki, T.; Hashimoto, M.

    2016-05-01

    This paper presents a new correlative bioimaging technique using Y2O3:Tm, Yb and Y2O3:Er, Yb nanophosphors (NPs) as imaging probes that emit luminescence excited by both near-infrared (NIR) light and an electron beam. Under 980 nm NIR light irradiation, the Y2O3:Tm, Yb and Y2O3:Er, Yb NPs emitted NIR luminescence (NIRL) around 810 nm and 1530 nm, respectively, and cathodoluminescence at 455 nm and 660 nm under excitation of accelerated electrons, respectively. Multimodalities of the NPs were confirmed in correlative NIRL/CL imaging and their locations were visualized at the same observation area in both NIRL and CL images. Using CL microscopy, the NPs were visualized at the single-particle level and with multicolour. Multiscale NIRL/CL bioimaging was demonstrated through in vivo and in vitro NIRL deep-tissue observations, cellular NIRL imaging, and high-spatial resolution CL imaging of the NPs inside cells. The location of a cell sheet transplanted onto the back muscle fascia of a hairy rat was visualized through NIRL imaging of the Y2O3:Er, Yb NPs. Accurate positions of cells through the thickness (1.5 mm) of a tissue phantom were detected by NIRL from the Y2O3:Tm, Yb NPs. Further, locations of the two types of NPs inside cells were observed using CL microscopy.

  14. Correlative near-infrared light and cathodoluminescence microscopy using Y2O3:Ln, Yb (Ln = Tm, Er) nanophosphors for multiscale, multicolour bioimaging

    PubMed Central

    Fukushima, S.; Furukawa, T.; Niioka, H.; Ichimiya, M.; Sannomiya, T.; Tanaka, N.; Onoshima, D.; Yukawa, H.; Baba, Y.; Ashida, M.; Miyake, J.; Araki, T.; Hashimoto, M.

    2016-01-01

    This paper presents a new correlative bioimaging technique using Y2O3:Tm, Yb and Y2O3:Er, Yb nanophosphors (NPs) as imaging probes that emit luminescence excited by both near-infrared (NIR) light and an electron beam. Under 980 nm NIR light irradiation, the Y2O3:Tm, Yb and Y2O3:Er, Yb NPs emitted NIR luminescence (NIRL) around 810 nm and 1530 nm, respectively, and cathodoluminescence at 455 nm and 660 nm under excitation of accelerated electrons, respectively. Multimodalities of the NPs were confirmed in correlative NIRL/CL imaging and their locations were visualized at the same observation area in both NIRL and CL images. Using CL microscopy, the NPs were visualized at the single-particle level and with multicolour. Multiscale NIRL/CL bioimaging was demonstrated through in vivo and in vitro NIRL deep-tissue observations, cellular NIRL imaging, and high-spatial resolution CL imaging of the NPs inside cells. The location of a cell sheet transplanted onto the back muscle fascia of a hairy rat was visualized through NIRL imaging of the Y2O3:Er, Yb NPs. Accurate positions of cells through the thickness (1.5 mm) of a tissue phantom were detected by NIRL from the Y2O3:Tm, Yb NPs. Further, locations of the two types of NPs inside cells were observed using CL microscopy. PMID:27185264

  15. Correlative Synchrotron Fourier Transform Infrared Spectroscopy and Single Molecule Super Resolution Microscopy for the Detection of Composition and Ultrastructure Alterations in Single Cells.

    PubMed

    Whelan, Donna R; Bell, Toby D M

    2015-12-18

    Single molecule localization microscopy (SMLM) and synchrotron Fourier transform infrared (S-FTIR) spectroscopy are two techniques capable of elucidating unique and valuable biological detail. SMLM provides images of the structures and distributions of targeted biomolecules at spatial resolutions up to an order of magnitude better than the diffraction limit, whereas IR spectroscopy objectively measures the holistic biochemistry of an entire sample, thereby revealing any variations in overall composition. Both tools are currently applied extensively to detect cellular response to disease, chemical treatment, and environmental change. Here, these two techniques have been applied correlatively at the single cell level to probe the biochemistry of common fixation methods and have detected various fixation-induced losses of biomolecular composition and cellular ultrastructure. Furthermore, by extensive honing and optimizing of fixation protocols, many fixation artifacts previously considered pervasive and regularly identified using IR spectroscopy and fluorescence techniques have been avoided. Both paraformaldehyde and two-step glutaraldehyde fixation were identified as best preserving biochemistry for both SMLM and IR studies while other glutaraldehyde and methanol fixation protocols were demonstrated to cause significant biochemical changes and higher variability between samples. Moreover, the potential complementarity of the two techniques was strikingly demonstrated in the correlated detection of biochemical changes as well as in the detection of fixation-induced damage that was only revealed by one of the two techniques.

  16. Targeting multiple types of tumors using NKG2D-coated iron oxide nanoparticles

    NASA Astrophysics Data System (ADS)

    Wu, Ming-Ru; Cook, W. James; Zhang, Tong; Sentman, Charles L.

    2014-11-01

    Iron oxide nanoparticles (IONPs) hold great potential for cancer therapy. Actively targeting IONPs to tumor cells can further increase therapeutic efficacy and decrease off-target side effects. To target tumor cells, a natural killer (NK) cell activating receptor, NKG2D, was utilized to develop pan-tumor targeting IONPs. NKG2D ligands are expressed on many tumor types and its ligands are not found on most normal tissues under steady state conditions. The data showed that mouse and human fragment crystallizable (Fc)-fusion NKG2D (Fc-NKG2D) coated IONPs (NKG2D/NPs) can target multiple NKG2D ligand positive tumor types in vitro in a dose dependent manner by magnetic cell sorting. Tumor targeting effect was robust even under a very low tumor cell to normal cell ratio and targeting efficiency correlated with NKG2D ligand expression level on tumor cells. Furthermore, the magnetic separation platform utilized to test NKG2D/NP specificity has the potential to be developed into high throughput screening strategies to identify ideal fusion proteins or antibodies for targeting IONPs. In conclusion, NKG2D/NPs can be used to target multiple tumor types and magnetic separation platform can facilitate the proof-of-concept phase of tumor targeting IONP development.

  17. The role of the cytoskeleton in cellular force generation in 2D and 3D environments

    NASA Astrophysics Data System (ADS)

    Kraning-Rush, Casey M.; Carey, Shawn P.; Califano, Joseph P.; Smith, Brooke N.; Reinhart-King, Cynthia A.

    2011-02-01

    To adhere and migrate, cells generate forces through the cytoskeleton that are transmitted to the surrounding matrix. While cellular force generation has been studied on 2D substrates, less is known about cytoskeletal-mediated traction forces of cells embedded in more in vivo-like 3D matrices. Recent studies have revealed important differences between the cytoskeletal structure, adhesion, and migration of cells in 2D and 3D. Because the cytoskeleton mediates force, we sought to directly compare the role of the cytoskeleton in modulating cell force in 2D and 3D. MDA-MB-231 cells were treated with agents that perturbed actin, microtubules, or myosin, and analyzed for changes in cytoskeletal organization and force generation in both 2D and 3D. To quantify traction stresses in 2D, traction force microscopy was used; in 3D, force was assessed based on single cell-mediated collagen fibril reorganization imaged using confocal reflectance microscopy. Interestingly, even though previous studies have observed differences in cell behaviors like migration in 2D and 3D, our data indicate that forces generated on 2D substrates correlate with forces within 3D matrices. Disruption of actin, myosin or microtubules in either 2D or 3D microenvironments disrupts cell-generated force. These data suggest that despite differences in cytoskeletal organization in 2D and 3D, actin, microtubules and myosin contribute to contractility and matrix reorganization similarly in both microenvironments.

  18. Differentiation and quality estimation of Cordyceps with infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Yang, Ping; Song, Ping; Sun, Su-Qin; Zhou, Qun; Feng, Shu; Tao, Jia-Xun

    2009-11-01

    Heretofore, a scientific and systemic method for differentiation and quality estimation of a well-known Chinese traditional medicine, 'Cordyceps', has not been established in modern market. In this paper, Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to propose a method for analysis of Cordyceps. It has presented that IR spectra of real Cordyceps of different origins and counterfeits have their own macroscopic fingerprints, with discriminated shapes, positions and intensities. Their secondary derivative spectra can amplify the differences and confirm the potentially characteristic IR absorption bands 1400-1700 cm -1 to be investigated in 2D-IR. Many characteristic fingerprints are discovered in 2D-IR spectra in the range of 1400-1700 cm -1 and hetero 2D spectra of 670-780 cm -1 × 1400-1700 cm -1. The different fingerprints display different chemical constitutes. Through the three steps, different Cordyceps and their counterfeits can be discriminated effectively and their qualities distinctly display. Successful analysis of eight Cordyceps capsule products has proved the practicability of the method, which can also be applied to the quality estimation of other Chinese traditional medicines.

  19. Investigation of neural correlates between perception of pain and hemodynamic response measured in the pre-frontal cortex using functional near infra-red spectroscopy

    NASA Astrophysics Data System (ADS)

    Krishnamurthy, Venkatagiri

    Perception of pain is multi-dimensional, comprising three major psychological dimensions: sensory-discriminative, motivational-affective and cognitive-evaluative. This dissertation study investigates the cognitive evaluation of pain, by acquiring functional Near Infra-Red Spectroscopic (fNIRS) measurements from the prefrontal cortex (PFC) areas, during mechanical and thermal pain stimulation induced on the subject's volar forearm. Clustered-wise analysis on the oxy-hemoglobin (HbO) response from specific PFC areas was followed by categorizing the resulting HbO response into early (0.1--12sec) and late (12.1--25sec) phases. For each respective phase, regression analysis was carried between the HbO-derived parameters and behaviorally measured pain rating. The major findings of this study include: (1) across both 41°C and 48°C thermal stimulation, significant DeltaHbO deactivation was observed during the late phase, in the left hemispheric (LH) anterior PFC (aPFC) or Brodmann area 10 (BA 10). (2) Significant correlates of pain rating were observed in the LH prefrontal areas: (a) under mechanical stimulation, early phase HbO-derived peak intensity (PI) from LH aPFC correlated with the pain rating. (b) Under both 41°C and 48°C thermal stimulation, late phase HbO-derived PI from the LH dorsolateral PFC (DLPFC or BA 46) showed correlation with the pain rating. (3) The significant correlates observed from the right hemispheric (RH) PFC were: (a) under mechanical stimulation, early phase HbO-derived FWHM from the RH aPFC correlated with the pain rating. (b) Under 41°C thermal stimulation, late phase HbO-derived PI from the RH DLPFC area correlated with the pain rating. (4) The late phase HbO-derived time to peak from LH aPFC reflected cognitive discrimination of two different pain levels (41°C and 48°C). The observed trend for DeltaHbO activation and deactivation could possibly be due to synaptic-induced vasodilation and vasoconstriction leading to increased or

  20. Anharmonic vibrational modes of nucleic acid bases revealed by 2D IR spectroscopy.

    PubMed

    Peng, Chunte Sam; Jones, Kevin C; Tokmakoff, Andrei

    2011-10-05

    Polarization-dependent two-dimensional infrared (2D IR) spectra of the purine and pyrimadine base vibrations of five nucleotide monophosphates (NMPs) were acquired in D(2)O at neutral pH in the frequency range 1500-1700 cm(-1). The distinctive cross-peaks between the ring deformations and carbonyl stretches of NMPs indicate that these vibrational modes are highly coupled, in contrast with the traditional peak assignment, which is based on a simple local mode picture such as C═O, C═N, and C═C double bond stretches. A model of multiple anharmonically coupled oscillators was employed to characterize the transition energies, vibrational anharmonicities and couplings, and transition dipole strengths and orientations. No simple or intuitive structural correlations are found to readily assign the spectral features, except in the case of guanine and cytosine, which contain a single local CO stretching mode. To help interpret the nature of these vibrational modes, we performed density functional theory (DFT) calculations and found that multiple ring vibrations are coupled and delocalized over the purine and pyrimidine rings. Generally, there is close correspondence between the experimental and computational results, provided that the DFT calculations include explicit waters solvating hydrogen-bonding sites. These results provide direct experimental evidence of the delocalized nature of the nucleotide base vibrations via a nonperturbative fashion and will serve as building blocks for constructing a structure-based model of DNA and RNA vibrational spectroscopy.

  1. Noninvasive Measurement of Cerebral Blood Flow and Blood Oxygenation Using Near-Infrared and Diffuse Correlation Spectroscopies in Critically Brain-Injured Adults

    PubMed Central

    Durduran, Turgut; Frangos, Suzanne; Edlow, Brian L.; Buckley, Erin M.; Moss, Heather E.; Zhou, Chao; Yu, Guoqiang; Choe, Regine; Maloney-Wilensky, Eileen; Wolf, Ronald L.; Grady, M. Sean; Greenberg, Joel H.; Levine, Joshua M.; Yodh, Arjun G.; Detre, John A.; Kofke, W. Andrew

    2009-01-01

    Background This study assesses the utility of a hybrid optical instrument for noninvasive transcranial monitoring in the neurointensive care unit. The instrument is based on diffuse correlation spectroscopy (DCS) for measurement of cerebral blood flow (CBF), and near-infrared spectroscopy (NIRS) for measurement of oxy- and deoxy-hemoglobin concentration. DCS/NIRS measurements of CBF and oxygenation from frontal lobes are compared with concurrent xenon-enhanced computed tomography (XeCT) in patients during induced blood pressure changes and carbon dioxide arterial partial pressure variation. Methods Seven neurocritical care patients were included in the study. Relative CBF measured by DCS (rCBFDCS), and changes in oxy-hemoglobin (ΔHbO2), deoxy-hemoglobin (ΔHb), and total hemoglobin concentration (ΔTHC), measured by NIRS, were continuously monitored throughout XeCT during a baseline scan and a scan after intervention. CBF from XeCT regions-of-interest (ROIs) under the optical probes were used to calculate relative XeCT CBF (rCBFXeCT) and were then compared to rCBFDCS. Spearman’s rank coefficients were employed to test for associations between rCBFDCS and rCBFXeCT, as well as between rCBF from both modalities and NIRS parameters. Results rCBFDCS and rCBFXeCT showed good correlation (rs = 0.73, P = 0.010) across the patient cohort. Moderate correlations between rCBFDCS and ΔHbO2/ΔTHC were also observed. Both NIRS and DCS distinguished the effects of xenon inhalation on CBF, which varied among the patients. Conclusions DCS measurements of CBF and NIRS measurements of tissue blood oxygenation were successfully obtained in neurocritical care patients. The potential for DCS to provide continuous, noninvasive bedside monitoring for the purpose of CBF management and individualized care is demonstrated. PMID:19908166

  2. VizieR Online Data Catalog: c2d Spitzer final data release (DR4) (Evans+, 2003)

    NASA Astrophysics Data System (ADS)

    Evans, N. J., II; Allen, L. E.; Blake, G. A.; Boogert, A. C. A.; Bourke, T.; Harvey, P. M.; Kessler, J. E.; Koerner, D. W.; Lee, C. W.; Mundy, L. G.; Myers, P. C.; Padgett, D. L.; Pontoppidan, K.; Sargent, A. I.; Stapelfeldt, K. R.; van Dishoeck, E. F.; Young, C. H.; Young, K. E.

    2014-05-01

    This is the final delivery (DR4, Fall 2006 and Fall 2007) of the Spitzer Space Telescope "From Molecular Cores to Planet-Forming Disks" (c2d) Legacy Project. The data are also available as Enhanced Products from the Spitzer Science Center (SSC). c2d has delivered 867 catalogs. IRSA has merged these delivered catalogs into four groups - Clouds, Off-Cloud, Cores, Stars - and serves them through the general catalog search engine Gator. Many of the delivered catalogs, images and spectra are accessible through IRSA's general search service, Atlas. As a service to its users, the CDS has downloaded a dataset containing most of the c2d data (but not all columns) from the IRSA archive. The individual catalogs are listed below: C2D Fall '07 Full CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 High Reliability (HREL) CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 candidate Young Stellar Objects (YSO) CLOUDS Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 Full OFF-CLOUD Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 candidate Young Stellar Objects (YSO) OFF-CLOUD Catalog (CHA_II, LUP, OPH, PER, SER) C2D Fall '07 Full CORES Catalog C2D Fall '07 candidate Young Stellar Objects (YSO) CORES Catalog C2D Fall '07 Full STARS Catalog C2D Fall '07 candidate Young Stellar Objects (YSO) STARS Catalog These tables have been merged into a single table at CDS. All three SIRTF instruments (Infrared Array Camera [IRAC], Multiband Imaging Photometer for SIRTF [MIPS], and Infrared Spectrograph [IRS]) were used to observe sources that span the evolutionary sequence from molecular cores to protoplanetary disks, encompassing a wide range of cloud masses, stellar masses, and star-forming environments. (1 data file).

  3. Periodically sheared 2D Yukawa systems

    SciTech Connect

    Kovács, Anikó Zsuzsa; Hartmann, Peter; Donkó, Zoltán

    2015-10-15

    We present non-equilibrium molecular dynamics simulation studies on the dynamic (complex) shear viscosity of a 2D Yukawa system. We have identified a non-monotonic frequency dependence of the viscosity at high frequencies and shear rates, an energy absorption maximum (local resonance) at the Einstein frequency of the system at medium shear rates, an enhanced collective wave activity, when the excitation is near the plateau frequency of the longitudinal wave dispersion, and the emergence of significant configurational anisotropy at small frequencies and high shear rates.

  4. ENERGY LANDSCAPE OF 2D FLUID FORMS

    SciTech Connect

    Y. JIANG; ET AL

    2000-04-01

    The equilibrium states of 2D non-coarsening fluid foams, which consist of bubbles with fixed areas, correspond to local minima of the total perimeter. (1) The authors find an approximate value of the global minimum, and determine directly from an image how far a foam is from its ground state. (2) For (small) area disorder, small bubbles tend to sort inwards and large bubbles outwards. (3) Topological charges of the same sign repel while charges of opposite sign attract. (4) They discuss boundary conditions and the uniqueness of the pattern for fixed topology.

  5. Codon Constraints on Closed 2D Shapes,

    DTIC Science & Technology

    2014-09-26

    19843$ CODON CONSTRAINTS ON CLOSED 2D SHAPES Go Whitman Richards "I Donald D. Hoffman’ D T 18 Abstract: Codons are simple primitives for describing plane...RSONAL AUT"ORtIS) Richards, Whitman & Hoffman, Donald D. 13&. TYPE OF REPORT 13b. TIME COVERED N/A P8 AT F RRrT t~r. Ago..D,) is, PlE COUNT Reprint...outlines, if figure and ground are ignored. Later, we will address the problem of indexing identical codon descriptors that have different figure

  6. CROSS-CORRELATING COSMIC INFRARED AND X-RAY BACKGROUND FLUCTUATIONS: EVIDENCE OF SIGNIFICANT BLACK HOLE POPULATIONS AMONG THE CIB SOURCES

    SciTech Connect

    Cappelluti, N.; Comastri, A.; Kashlinsky, A.; Mather, J. C.; Moseley, S. H.; Arendt, R. G.; Finoguenov, A.; Fazio, G. G.; Hasinger, G.; Miyaji, T.

    2013-05-20

    In order to understand the nature of the sources producing the recently uncovered cosmic infrared background (CIB) fluctuations, we study cross-correlations between the fluctuations in the source-subtracted CIB from Spitzer/IRAC data and the unresolved cosmic X-ray background from deep Chandra observations. Our study uses data from the EGS/AEGIS field, where both data sets cover an {approx_equal} 8' Multiplication-Sign 45' region of the sky. Our measurement is the cross-power spectrum between the IR and X-ray data. The cross-power signal between the IRAC maps at 3.6 {mu}m and 4.5 {mu}m and the Chandra [0.5-2] keV data has been detected, at angular scales {approx}> 20'', with an overall significance of {approx_equal} 3.8{sigma} and {approx_equal} 5.6{sigma}, respectively. At the same time we find no evidence of significant cross-correlations at the harder Chandra bands. The cross-correlation signal is produced by individual IR sources with 3.6 {mu}m and 4.5 {mu}m magnitudes m{sub AB} {approx}> 25-26 and [0.5-2] keV X-ray fluxes <<7 Multiplication-Sign 10{sup -17} erg cm{sup 2} s{sup -1}. We determine that at least 15%-25% of the large scale power of the CIB fluctuations is correlated with the spatial power spectrum of the X-ray fluctuations. If this correlation is attributed to emission from accretion processes at both IR and X-ray wavelengths, this implies a much higher fraction of accreting black holes than among the known populations. We discuss the various possible origins for the cross-power signal and show that neither local foregrounds nor the known remaining normal galaxies and active galactic nuclei can reproduce the measurements. These observational results are an important new constraint on theoretical modeling of the near-IR CIB fluctuations.

  7. Correlation Between Band Structure and Magneto- Transport Properties in HgTe/CdTe Two-Dimensional Far-Infrared Detector Superlattice

    NASA Astrophysics Data System (ADS)

    Braigue, M.; Nafidi, A.; Idbaha, A.; Chaib, H.; Sahsah, H.; Daoud, M.; Marí Soucase, B.; Mollar García, M.; Chander Singh, K.; Hartiti, B.

    2013-06-01

    Theoretical calculations of the electronic properties of n-type HgTe/CdTe superlattices (SLs) have provided an agreement with the experimental data on the magneto-transport behaviour. We have measured the conductivity, Hall mobility, Seebeck and Shubnikov-de Haas effects and angular dependence of the magneto-resistance. Our sample, grown by MBE, had a period d= d 1+ d 2 (124 layers) of d1=8.6 nm (HgTe) /d2=3.2 nm (CdTe). Calculations of the spectras of energy E( d 2), E( k z ) and E( k p ), respectively, in the direction of growth and in plane of the superlattice; were performed in the envelope function formalism. The energy E( d 2, Γ,4.2 K), shown that when d 2 increase the gap E g decrease to zero at the transition semiconductor to semimetal conductivity behaviour and become negative accusing a semimetallic conduction. At 4.2 K, the sample exhibits n type conductivity, confirmed by Hall and Seebeck effects, with a Hall mobility of 2.5 × 105 cm2/ V s. This allowed us to observe the Shubnikov-de Haas effect with n=3.20×1012 cm-2. Using the calculated effective mass (m^{*}_{E1}(EF) = 0.05 m0) of the degenerated electrons gas, the Fermi energy (2D) was E F =88 meV in agreement with 91 meV of thermoelectric power α. In intrinsic regime, α˜ T -3/2 and R H T 3/2 indicates a gap E g = E 1- HH 1=101 meV in agreement with calculated E g ( Γ,300 K)=105 meV. The formalism used here predicts that the system is semiconductor for d 1/ d 2=2.69 and d 2<100 nm. Here, d 2=3.2 nm and E g ( Γ,4.2 K)=48 meV so this sample is a two-dimensional modulated nano-semiconductor and far-infrared detector (12 μm< λ c <28 μm).

  8. Bottom-up design of 2D organic photocatalysts for visible-light driven hydrogen evolution.

    PubMed

    Wang, Peng; Jiang, Xue; Zhao, Jijun

    2016-01-27

    To design two-dimensional (2D) organocatalysts, three series of covalent organic frameworks (COFs) are constructed using bottom-up strategies, i.e. molecular selection, tunable linkage, and functionalization. First-principles calculations are performed to confirm their photocatalytic activity under visible light. Two of our constructed 2D COF models (B1 and C3) are identified as a sufficiently efficient organocatalyst for visible light water splitting. The controllable construction of such COFs from suitable organic subunit, linkage, and functional groups paves the way for correlating band edge alignments and geometry parameters of 2D organic materials. Our theoretical prediction not only provides essential insights into designing 2D-COF photocatalysts for water splitting, but also sparks other technological applications for 2D organic materials.

  9. Bottom-up design of 2D organic photocatalysts for visible-light driven hydrogen evolution

    NASA Astrophysics Data System (ADS)

    Wang, Peng; Jiang, Xue; Zhao, Jijun

    2016-01-01

    To design two-dimensional (2D) organocatalysts, three series of covalent organic frameworks (COFs) are constructed using bottom-up strategies, i.e. molecular selection, tunable linkage, and functionalization. First-principles calculations are performed to confirm their photocatalytic activity under visible light. Two of our constructed 2D COF models (B1 and C3) are identified as a sufficiently efficient organocatalyst for visible light water splitting. The controllable construction of such COFs from suitable organic subunit, linkage, and functional groups paves the way for correlating band edge alignments and geometry parameters of 2D organic materials. Our theoretical prediction not only provides essential insights into designing 2D-COF photocatalysts for water splitting, but also sparks other technological applications for 2D organic materials.

  10. Detection of an endogenous urinary biomarker associated with CYP2D6 activity using global metabolomics

    PubMed Central

    Tay-Sontheimer, Jessica; Shireman, Laura M; Beyer, Richard P; Senn, Taurence; Witten, Daniela; Pearce, Robin E; Gaedigk, Andrea; Fomban, Cletus L Gana; Lutz, Justin D; Isoherranen, Nina; Thummel, Kenneth E; Fiehn, Oliver; Leeder, J Steven; Lin, Yvonne S

    2015-01-01

    Aim We sought to discover endogenous urinary biomarkers of human CYP2D6 activity. Patients & methods Healthy pediatric subjects (n = 189) were phenotyped using dextromethorphan and randomized for candidate biomarker selection and validation. Global urinary metabolomics was performed using liquid chromatography quadrupole time-of-flight mass spectrometry. Candidate biomarkers were tested in adults receiving fluoxetine, a CYP2D6 inhibitor. Results A biomarker, M1 (m/z 444.3102) was correlated with CYP2D6 activity in both the pediatric training and validation sets. Poor metabolizers had undetectable levels of M1, whereas it was present in subjects with other phenotypes. In adult subjects, a 9.56-fold decrease in M1 abundance was observed during CYP2D6 inhibition. Conclusion Identification and validation of M1 may provide a noninvasive means of CYP2D6 phenotyping. PMID:25521354

  11. Microwave Assisted 2D Materials Exfoliation

    NASA Astrophysics Data System (ADS)

    Wang, Yanbin

    Two-dimensional materials have emerged as extremely important materials with applications ranging from energy and environmental science to electronics and biology. Here we report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent-quality, few-layered nanosheets in liquid phase from well-known 2D materials such as such hexagonal boron nitride (h-BN), graphite, and MoS2. We start by mixing the uniform bulk-layered material with a common organic solvent that matches its surface energy to reduce the van der Waals attractive interactions between the layers; next, the solutions are heated in a commercial microwave oven to overcome the energy barrier between bulk and few-layers states. We discovered the minutes-long rapid exfoliation process is highly temperature dependent, which requires precise thermal management to obtain high-quality inks. We hypothesize a possible mechanism of this proposed solvo-thermal process; our theory confirms the basis of this novel technique for exfoliation of high-quality, layered 2D materials by using an as yet unknown role of the solvent.

  12. 2-D or not 2-D, that is the question: A Northern California test

    SciTech Connect

    Mayeda, K; Malagnini, L; Phillips, W S; Walter, W R; Dreger, D

    2005-06-06

    Reliable estimates of the seismic source spectrum are necessary for accurate magnitude, yield, and energy estimation. In particular, how seismic radiated energy scales with increasing earthquake size has been the focus of recent debate within the community and has direct implications on earthquake source physics studies as well as hazard mitigation. The 1-D coda methodology of Mayeda et al. has provided the lowest variance estimate of the source spectrum when compared against traditional approaches that use direct S-waves, thus making it ideal for networks that have sparse station distribution. The 1-D coda methodology has been mostly confined to regions of approximately uniform complexity. For larger, more geophysically complicated regions, 2-D path corrections may be required. The complicated tectonics of the northern California region coupled with high quality broadband seismic data provides for an ideal ''apples-to-apples'' test of 1-D and 2-D path assumptions on direct waves and their coda. Using the same station and event distribution, we compared 1-D and 2-D path corrections and observed the following results: (1) 1-D coda results reduced the amplitude variance relative to direct S-waves by roughly a factor of 8 (800%); (2) Applying a 2-D correction to the coda resulted in up to 40% variance reduction from the 1-D coda results; (3) 2-D direct S-wave results, though better than 1-D direct waves, were significantly worse than the 1-D coda. We found that coda-based moment-rate source spectra derived from the 2-D approach were essentially identical to those from the 1-D approach for frequencies less than {approx}0.7-Hz, however for the high frequencies (0.7{le} f {le} 8.0-Hz), the 2-D approach resulted in inter-station scatter that was generally 10-30% smaller. For complex regions where data are plentiful, a 2-D approach can significantly improve upon the simple 1-D assumption. In regions where only 1-D coda correction is available it is still preferable over 2

  13. Digital image correlation and infrared measurements to determine the influence of a uniaxial pre-strain on fatigue properties of a dual phase steel.

    NASA Astrophysics Data System (ADS)

    Munier, R.; Doudard, C.; Calloch, S.; Weber, B.

    2010-06-01

    The high cycle fatigue (HCF) is a major element for a great design of automotive parts. A wide part of the steel sheets for the automotive industry are stamped, sometimes deeply. During this operation, the steel is plastically strained in different directions, so that a good prediction of the fatigue behavior requires the determination of the fatigue properties of the pre-strained material. Nowadays, the evolution of HCF properties is often neglected, because of prohibitive time dedicated to traditional fatigue campaigns. To reduce the characterization time, self-heating measurements are used. This approach permits to identify the influence of homogeneous pre-strain on fatigue properties. The aim of this paper is to develop an original experimental test to identify this influence for a wide range of pre-strain with only one specimen. The study of a particular case of specimen with a constant gradient of pre-strain is presented. Digital image correlation is a way to determine the heterogeneity of the plastic pre-strain on the specimen and infrared measurements with a ”1D” approach allows the determination of the influence of a plastic pre-strain on the fatigue properties of the studied steel.

  14. [Study on the effect of temperature on the conformation of cross-linked collagen by two-dimensional infrared correlation spectroscopy].

    PubMed

    Chen, Yi-Hui; Tian, Hui-Lin; Li, Ji-Heng; Li, Guo-Ying

    2012-06-01

    The Fourier transform infrared spectroscopy and two dimensional correlation analysis method were applied to study a denaturing process of uncross-linked collagen and cross-linked collagen during varying temperature. It was found that the intensity of typically characteristic absorptions of collagen decreased and its peak shifted to low frequency, The amide II central absorbance peak moved to a lower frequency by about 10 cm(-1), which indicated that the inter-chain hydrogen bonds which stabilized the triple helix conformation of collagen were disrupted during thermal denaturation, resulting in a conformational change. The intensity of auto-peak at 1 515 cm(-1) was maximum, which suggested that the temperature had a big impact on amide II. In comparison with uncross-linked collagen, the intensity of cross-peaks of cross-linked collagen was weaker, which demonstrated that the effect of temperature on the structure of cross-linked collagen was smaller, and the thermal stability properties of collagen solution could be improved by cross-linking. While the order of second structure changes of cross-linked collagen was different. These fundamental data should provide available information for understanding the relationship between the structure and function of cross-linked collagen.

  15. Tutorial on use of intraclass correlation coefficients for assessing intertest reliability and its application in functional near-infrared spectroscopy-based brain imaging

    NASA Astrophysics Data System (ADS)

    Li, Lin; Zeng, Li; Lin, Zi-Jing; Cazzell, Mary; Liu, Hanli

    2015-05-01

    Test-retest reliability of neuroimaging measurements is an important concern in the investigation of cognitive functions in the human brain. To date, intraclass correlation coefficients (ICCs), originally used in inter-rater reliability studies in behavioral sciences, have become commonly used metrics in reliability studies on neuroimaging and functional near-infrared spectroscopy (fNIRS). However, as there are six popular forms of ICC, the adequateness of the comprehensive understanding of ICCs will affect how one may appropriately select, use, and interpret ICCs toward a reliability study. We first offer a brief review and tutorial on the statistical rationale of ICCs, including their underlying analysis of variance models and technical definitions, in the context of assessment on intertest reliability. Second, we provide general guidelines on the selection and interpretation of ICCs. Third, we illustrate the proposed approach by using an actual research study to assess intertest reliability of fNIRS-based, volumetric diffuse optical tomography of brain activities stimulated by a risk decision-making protocol. Last, special issues that may arise in reliability assessment using ICCs are discussed and solutions are suggested.

  16. Transition to turbulence: 2D directed percolation

    NASA Astrophysics Data System (ADS)

    Chantry, Matthew; Tuckerman, Laurette; Barkley, Dwight

    2016-11-01

    The transition to turbulence in simple shear flows has been studied for well over a century, yet in the last few years has seen major leaps forward. In pipe flow, this transition shows the hallmarks of (1 + 1) D directed percolation, a universality class of continuous phase transitions. In spanwisely confined Taylor-Couette flow the same class is found, suggesting the phenomenon is generic to shear flows. However in plane Couette flow the largest simulations and experiments to-date find evidence for a discrete transition. Here we study a planar shear flow, called Waleffe flow, devoid of walls yet showing the fundamentals of planar transition to turbulence. Working with a quasi-2D yet Navier-Stokes derived model of this flow we are able to attack the (2 + 1) D transition problem. Going beyond the system sizes previously possible we find all of the required scalings of directed percolation and thus establish planar shears flow in this class.

  17. 2D quantum gravity from quantum entanglement.

    PubMed

    Gliozzi, F

    2011-01-21

    In quantum systems with many degrees of freedom the replica method is a useful tool to study the entanglement of arbitrary spatial regions. We apply it in a way that allows them to backreact. As a consequence, they become dynamical subsystems whose position, form, and extension are determined by their interaction with the whole system. We analyze, in particular, quantum spin chains described at criticality by a conformal field theory. Its coupling to the Gibbs' ensemble of all possible subsystems is relevant and drives the system into a new fixed point which is argued to be that of the 2D quantum gravity coupled to this system. Numerical experiments on the critical Ising model show that the new critical exponents agree with those predicted by the formula of Knizhnik, Polyakov, and Zamolodchikov.

  18. Simulation of Yeast Cooperation in 2D.

    PubMed

    Wang, M; Huang, Y; Wu, Z

    2016-03-01

    Evolution of cooperation has been an active research area in evolutionary biology in decades. An important type of cooperation is developed from group selection, when individuals form spatial groups to prevent them from foreign invasions. In this paper, we study the evolution of cooperation in a mixed population of cooperating and cheating yeast strains in 2D with the interactions among the yeast cells restricted to their small neighborhoods. We conduct a computer simulation based on a game theoretic model and show that cooperation is increased when the interactions are spatially restricted, whether the game is of a prisoner's dilemma, snow drifting, or mutual benefit type. We study the evolution of homogeneous groups of cooperators or cheaters and describe the conditions for them to sustain or expand in an opponent population. We show that under certain spatial restrictions, cooperator groups are able to sustain and expand as group sizes become large, while cheater groups fail to expand and keep them from collapse.

  19. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  20. Graphene suspensions for 2D printing

    NASA Astrophysics Data System (ADS)

    Soots, R. A.; Yakimchuk, E. A.; Nebogatikova, N. A.; Kotin, I. A.; Antonova, I. V.

    2016-04-01

    It is shown that, by processing a graphite suspension in ethanol or water by ultrasound and centrifuging, it is possible to obtain particles with thicknesses within 1-6 nm and, in the most interesting cases, 1-1.5 nm. Analogous treatment of a graphite suspension in organic solvent yields eventually thicker particles (up to 6-10 nm thick) even upon long-term treatment. Using the proposed ink based on graphene and aqueous ethanol with ethylcellulose and terpineol additives for 2D printing, thin (~5 nm thick) films with sheet resistance upon annealing ~30 MΩ/□ were obtained. With the ink based on aqueous graphene suspension, the sheet resistance was ~5-12 kΩ/□ for 6- to 15-nm-thick layers with a carrier mobility of ~30-50 cm2/(V s).

  1. Canard configured aircraft with 2-D nozzle

    NASA Technical Reports Server (NTRS)

    Child, R. D.; Henderson, W. P.

    1978-01-01

    A closely-coupled canard fighter with vectorable two-dimensional nozzle was designed for enhanced transonic maneuvering. The HiMAT maneuver goal of a sustained 8g turn at a free-stream Mach number of 0.9 and 30,000 feet was the primary design consideration. The aerodynamic design process was initiated with a linear theory optimization minimizing the zero percent suction drag including jet effects and refined with three-dimensional nonlinear potential flow techniques. Allowances were made for mutual interference and viscous effects. The design process to arrive at the resultant configuration is described, and the design of a powered 2-D nozzle model to be tested in the LRC 16-foot Propulsion Wind Tunnel is shown.

  2. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  3. Metrology for graphene and 2D materials

    NASA Astrophysics Data System (ADS)

    Pollard, Andrew J.

    2016-09-01

    The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the

  4. Effect of solvent polarity on the vibrational dephasing dynamics of the nitrosyl stretch in an Fe(II) complex revealed by 2D IR spectroscopy.

    PubMed

    Brookes, Jennifer F; Slenkamp, Karla M; Lynch, Michael S; Khalil, Munira

    2013-07-25

    The vibrational dephasing dynamics of the nitrosyl stretching vibration (ν(NO)) in sodium nitroprusside (SNP, Na2[Fe(CN)5NO]·2H2O) are investigated using two-dimensional infrared (2D IR) spectroscopy. The ν(NO) in SNP acts as a model system for the nitrosyl ligand found in metalloproteins which play an important role in the transportation and detection of nitric oxide (NO) in biological systems. We perform a 2D IR line shape study of the ν(NO) in the following solvents: water, deuterium oxide, methanol, ethanol, ethylene glycol, formamide, and dimethyl sulfoxide. The frequency of the ν(NO) exhibits a large vibrational solvatochromic shift of 52 cm(-1), ranging from 1884 cm(-1) in dimethyl sulfoxide to 1936 cm(-1) in water. The vibrational anharmonicity of the ν(NO) varies from 21 to 28 cm(-1) in the solvents used in this study. The frequency-frequency correlation functions (FFCFs) of the ν(NO) in SNP in each of the seven solvents are obtained by fitting the experimentally obtained 2D IR spectra using nonlinear response theory. The fits to the 2D IR line shape reveal that the spectral diffusion time scale of the ν(NO) in SNP varies from 0.8 to 4 ps and is negatively correlated with the empirical solvent polarity scales. We compare our results with the experimentally determined FFCFs of other charged vibrational probes in polar solvents and in the active sites of heme proteins. Our results suggest that the vibrational dephasing dynamics of the ν(NO) in SNP reflect the fluctuations of the nonhomogeneous electric field created by the polar solvents around the nitrosyl and cyanide ligands. The solute solvent interactions occurring at the trans-CN ligand are sensed through the π-back-bonding network along the Fe-NO bond in SNP.

  5. Digit ratio (2D:4D), salivary testosterone, and handedness.

    PubMed

    Beaton, Alan A; Rudling, Nick; Kissling, Christian; Taurines, Regine; Thome, Johannes

    2011-03-01

    The length of the index finger relative to that of the ring finger, the 2D:4D ratio, has been taken to be a marker of the amount of testosterone (T) that was present in the foetal environment (Manning, Scutt, Wilson, & Lewis-Jones, 1998). It has also been suggested (Geschwind & Galaburda, 1987) that elevated levels of foetal T are associated with left-handedness and that adult levels of circulating T might relate to foetal levels (Jamison, Meier, & Campbell, 1993). We used multiple regression analyses to investigate whether there is any relationship between either left or right hand 2D:4D ratio and handedness. We also examined whether adult levels of salivary T (or cortisol, used as a control hormone) predict digit ratio and/or handedness. Although the 2D:4D ratio of neither the left nor the right hand was related to handedness, the difference between the digit ratios of the right and left hands, D(R-L), was a significant predictor of handedness and of the performance difference between the hands on a peg-moving task, supporting previous findings (Manning & Peters, 2009; Manning et al., 1998; Manning, Trivers, Thornhill, & Singh, 2000; Stoyanov, Marinov, & Pashalieva, 2009). Adult circulating T levels did not predict the digit ratio of the left or right hand; nor was there a significant relationship between concentrations of salivary T (or cortisol) and either hand preference or asymmetry in manual skill. We suggest that the association between D(R-L) and hand preference arises because D(R-L) is a correlate of sensitivity to T in the developing foetus.

  6. BLAST: CORRELATIONS IN THE COSMIC FAR-INFRARED BACKGROUND AT 250, 350, AND 500 mum REVEAL CLUSTERING OF STAR-FORMING GALAXIES

    SciTech Connect

    Viero, Marco P.; Martin, Peter G.; Netterfield, Calvin B.; Ade, Peter A. R.; Griffin, Matthew; Hargrave, Peter C.; Mauskopf, Philip; Moncelsi, Lorenzo; Pascale, Enzo; Bock, James J.; Chapin, Edward L.; Halpern, Mark; Marsden, Gaelen; Devlin, Mark J.; Klein, Jeff; Gundersen, Joshua O.; Hughes, David H.; MacTavish, Carrie J.; Negrello, Mattia; Olmi, Luca

    2009-12-20

    We detect correlations in the cosmic far-infrared background due to the clustering of star-forming galaxies in observations made with the Balloon-borne Large Aperture Submillimeter Telescope, at 250, 350, and 500 mum. We perform jackknife and other tests to confirm the reality of the signal. The measured correlations are well fitted by a power law over scales of 5'-25', with DELTAI/I = 15.1% +- 1.7%. We adopt a specific model for submillimeter sources in which the contribution to clustering comes from sources in the redshift ranges 1.3 <= z <= 2.2, 1.5 <= z <= 2.7, and 1.7 <= z <= 3.2, at 250, 350, and 500 mum, respectively. With these distributions, our measurement of the power spectrum, P(k{sub t}heta), corresponds to linear bias parameters, b = 3.8 +- 0.6, 3.9 +- 0.6, and 4.4 +- 0.7, respectively. We further interpret the results in terms of the halo model, and find that at the smaller scales, the simplest halo model fails to fit our results. One way to improve the fit is to increase the radius at which dark matter halos are artificially truncated in the model, which is equivalent to having some star-forming galaxies at z >= 1 located in the outskirts of groups and clusters. In the context of this model, we find a minimum halo mass required to host a galaxy is log(M{sub min}/M{sub sun}) = 11.5{sup +0.4}{sub -0.1}, and we derive effective biases b{sub eff} = 2.2 +- 0.2, 2.4 +- 0.2, and 2.6 +- 0.2, and effective masses log(M{sub eff}/M{sub odot})=12.9+-0.3, 12.8 +- 0.2, and 12.7 +- 0.2, at 250, 350 and 500 mum, corresponding to spatial correlation lengths of r{sub 0} = 4.9, 5.0, and 5.2+-0.7 h{sup -1}Mpc, respectively. Finally, we discuss implications for clustering measurement strategies with Herschel and Planck.

  7. [Infrared spectroscopic analysis of Guilin watermelon frost products].

    PubMed

    Huang, Dong-lan; Chen, Xiao-kang; Xu, Yong-qun; Sun, Su-qin; Zhou, Qun; Lu, Wen-guan

    2012-08-01

    The objective of the present study is to analyze different products of Guilin watermelon frost by Fourier transform infrared spectroscopy (FTIR), second derivative infrared spectroscopy and two-dimensional correlation spectroscopy (2D-IR) under thermal perturbation. The structural information of the samples indicates that samples from the same factory but of different brands had some dissimilarities in the IR spectra, and the type and content of accessories of them were different compared with conventional IR spectra of samples, peaks at 638 and 616 cm(-1) all arise from anhydrous sodium sulfate in watermelon frost spray and watermelon frost capsule; the characteristic absorption peaks of the sucrose, dextrin or other accessories can be seen clearly in the spectra of watermelon frost throat-clearing buccal tablets, watermelon frost throat tablets and watermelon frost lozenge. And the IR spectra of watermelon frost lozenge is very similar to the IR spectra of sucrose, so it can be easily proved that the content of sucrose in watermelon frost lozenge is high. In the 2D-IR correlation spectra, the samples presented the differences in the position, number and relative intensity of autopeaks and correlation peak clusters. Consequently, the macroscopical fingerprint characters of FTIR, second derivative infrared spectra and 2D-IR spectra can not only provide the information about main chemical constituents in medical materials, but also analyze and identify the type and content of accessories in Guilin watermelon frost. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

  8. Micro-reflectance and transmittance spectroscopy: a versatile and powerful tool to characterize 2D materials

    NASA Astrophysics Data System (ADS)

    Frisenda, Riccardo; Niu, Yue; Gant, Patricia; Molina-Mendoza, Aday J.; Schmidt, Robert; Bratschitsch, Rudolf; Liu, Jinxin; Fu, Lei; Dumcenco, Dumitru; Kis, Andras; Perez De Lara, David; Castellanos-Gomez, Andres

    2017-02-01

    Optical spectroscopy techniques such as differential reflectance and transmittance have proven to be very powerful techniques for studying 2D materials. However, a thorough description of the experimental setups needed to carry out these measurements is lacking in the literature. We describe a versatile optical microscope setup for carrying out differential reflectance and transmittance spectroscopy in 2D materials with a lateral resolution of ~1 µm in the visible and near-infrared part of the spectrum. We demonstrate the potential of the presented setup to determine the number of layers of 2D materials and characterize their fundamental optical properties, such as excitonic resonances. We illustrate its performance by studying mechanically exfoliated and chemical vapor-deposited transition metal dichalcogenide samples.

  9. CBP/p300 acetyltransferases regulate the expression of NKG2D ligands on tumor cells

    PubMed Central

    Sauer, M; Schuldner, M; Hoffmann, N; Cetintas, A; Reiners, K S; Shatnyeva, O; Hallek, M; Hansen, H P; Gasser, S; von Strandmann, E P

    2017-01-01

    Tumor surveillance of natural killer (NK) cells is mediated by the cytotoxicity receptor natural-killer group 2 member D (NKG2D). Ligands for NKG2D are generally not expressed on healthy cells, but induced on the surface of malignant cells. To date, NKG2D ligand (NKG2D-L) induction was mainly described to depend on the activation of the DNA damage response, although the molecular mechanisms that regulate NKG2D-L expression remain largely unknown. Here, we show that the acetyltransferases CBP (CREB-binding protein) and p300 play a crucial role in the regulation of NKG2D-L on tumor cells. Loss of CBP/p300 decreased the basal cell surface expression of human ligands and reduced the upregulation of MICA/B and ULBP2 in response to histone deacetylase inhibitors or DNA damage. Furthermore, CBP/P300 deficiency abrogated the sensitivity of stressed cells to NK cell-mediated killing. CBP/p300 were also identified as major regulators of mouse NKG2D ligand RAE-1 in vitro and in vivo using the Eμ-Myc lymphoma model. Mechanistically, we observed an enhanced activation of the CBP/p300 binding transcription factor CREB (cAMP response element-binding protein) correlating to the NKG2D-L upregulation. Moreover, increased binding of CREB and CBP/p300 to NKG2D-L promoters and elevated histone acetylation were detectable. This study provides strong evidence for a major role of CBP and p300 in orchestrating NKG2D-L induction and consequently immunosurveillance of tumors in mice and humans. These findings might help to develop novel immunotherapeutic approaches against cancer. PMID:27477692

  10. Photorealistic image synthesis and camera validation from 2D images

    NASA Astrophysics Data System (ADS)

    Santos Ferrer, Juan C.; González Chévere, David; Manian, Vidya

    2014-06-01

    This paper presents a new 3D scene reconstruction technique using the Unity 3D game engine. The method presented here allow us to reconstruct the shape of simple objects and more complex ones from multiple 2D images, including infrared and digital images from indoor scenes and only digital images from outdoor scenes and then add the reconstructed object to the simulated scene created in Unity 3D, these scenes are then validated with real world scenes. The method used different cameras settings and explores different properties in the reconstructions of the scenes including light, color, texture, shapes and different views. To achieve the highest possible resolution, it was necessary the extraction of partial textures from visible surfaces. To recover the 3D shapes and the depth of simple objects that can be represented by the geometric bodies, there geometric characteristics were used. To estimate the depth of more complex objects the triangulation method was used, for this the intrinsic and extrinsic parameters were calculated using geometric camera calibration. To implement the methods mentioned above the Matlab tool was used. The technique presented here also let's us to simulate small simple videos, by reconstructing a sequence of multiple scenes of the video separated by small margins of time. To measure the quality of the reconstructed images and video scenes the Fast Low Band Model (FLBM) metric from the Video Quality Measurement (VQM) software was used. Low bandwidth perception based features include edges and motion.

  11. Persistence Measures for 2d Soap Froth

    NASA Astrophysics Data System (ADS)

    Feng, Y.; Ruskin, H. J.; Zhu, B.

    Soap froths as typical disordered cellular structures, exhibiting spatial and temporal evolution, have been studied through their distributions and topological properties. Recently, persistence measures, which permit representation of the froth as a two-phase system, have been introduced to study froth dynamics at different length scales. Several aspects of the dynamics may be considered and cluster persistence has been observed through froth experiment. Using a direct simulation method, we have investigated persistent properties in 2D froth both by monitoring the persistence of survivor cells, a topologically independent measure, and in terms of cluster persistence. It appears that the area fraction behavior for both survivor and cluster persistence is similar for Voronoi froth and uniform froth (with defects). Survivor and cluster persistent fractions are also similar for a uniform froth, particularly when geometries are constrained, but differences observed for the Voronoi case appear to be attributable to the strong topological dependency inherent in cluster persistence. Survivor persistence, on the other hand, depends on the number rather than size and position of remaining bubbles and does not exhibit the characteristic decay to zero.

  12. SEM signal emulation for 2D patterns

    NASA Astrophysics Data System (ADS)

    Sukhov, Evgenii; Muelders, Thomas; Klostermann, Ulrich; Gao, Weimin; Braylovska, Mariya

    2016-03-01

    The application of accurate and predictive physical resist simulation is seen as one important use model for fast and efficient exploration of new patterning technology options, especially if fully qualified OPC models are not yet available at an early pre-production stage. The methodology of using a top-down CD-SEM metrology to extract the 3D resist profile information, such as the critical dimension (CD) at various resist heights, has to be associated with a series of presumptions which may introduce such small, but systematic CD errors. Ideally, the metrology effects should be carefully minimized during measurement process, or if possible be taken into account through proper metrology modeling. In this paper we discuss the application of a fast SEM signal emulation describing the SEM image formation. The algorithm is applied to simulated resist 3D profiles and produces emulated SEM image results for 1D and 2D patterns. It allows estimating resist simulation quality by comparing CDs which were extracted from the emulated and from the measured SEM images. Moreover, SEM emulation is applied for resist model calibration to capture subtle error signatures through dose and defocus. Finally, it should be noted that our SEM emulation methodology is based on the approximation of physical phenomena which are taking place in real SEM image formation. This approximation allows achieving better speed performance compared to a fully physical model.

  13. 2D ultrasonic elastography with lateral displacement estimation using statistics.

    PubMed

    Zhang, Zhihong; Liu, Haolin; Cheng, Yangjie

    2014-01-01

    Ultrasound elastography is the method of obtaining relative stiffness information of biological tissue, which plays an important role in early diagnosis. Generally, a gradient-based strain imaging algorithm assumes that motion only occurs in an axial direction. However, because tissue has different relative stiffness, the scatter presents lateral motion under high freehand compression. Therefore, errors occur in estimating the cross-correlation phase in the calculation window. A 2D elastography algorithm with lateral displacement estimation using statistics was proposed to reduce errors. The new method was investigated through simulation, and the experiment confirmed that errors introduced by lateral tissue movement have been greatly reduced with no sacrifice of real-time ultrasonic imaging quality.

  14. Effective Hamiltonians of 2D Spin Glass Clusters

    NASA Astrophysics Data System (ADS)

    Clement, Colin; Liarte, Danilo; Middleton, Alan; Sethna, James

    2015-03-01

    We have a method for directly identifying the clusters which are thought to dominate the dynamics of spin glasses. We also have a method for generating an effective Hamiltonian treating each cluster as an individual spin. We used these methods on a 2D Ising spin glass with Gaussian bonds. We study these systems by generating samples and correlation functions using a combination of Monte Carlo and high-performance numerically exact Pfaffian methods. With effective cluster Hamiltonians we can calculate the free energy asymmetry of the original clusters and perform a scaling analysis. The scaling exponents found are consistent with Domain-Wall Renormalization Group methods, and probe all length scales. We can also study the flow of these effective Hamiltonians by clustering the clustered spins, and we find that our hard spin Hamiltonians at high temperature retain accurate low-temperature fluctuations when compared to their parent models.

  15. 2D Seismic Reflection Data across Central Illinois

    SciTech Connect

    Smith, Valerie; Leetaru, Hannes

    2014-09-30

    In a continuing collaboration with the Midwest Geologic Sequestration Consortium (MGSC) on the Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins project, Schlumberger Carbon Services and WesternGeco acquired two-dimensional (2D) seismic data in the Illinois Basin. This work included the design, acquisition and processing of approximately 125 miles of (2D) seismic reflection surveys running west to east in the central Illinois Basin. Schlumberger Carbon Services and WesternGeco oversaw the management of the field operations (including a pre-shoot planning, mobilization, acquisition and de-mobilization of the field personnel and equipment), procurement of the necessary permits to conduct the survey, post-shoot closure, processing of the raw data, and provided expert consultation as needed in the interpretation of the delivered product. Three 2D seismic lines were acquired across central Illinois during November and December 2010 and January 2011. Traversing the Illinois Basin, this 2D seismic survey was designed to image the stratigraphy of the Cambro-Ordovician sections and also to discern the basement topography. Prior to this survey, there were no regionally extensive 2D seismic data spanning this section of the Illinois Basin. Between the NW side of Morgan County and northwestern border of Douglas County, these seismic lines ran through very rural portions of the state. Starting in Morgan County, Line 101 was the longest at 93 miles in length and ended NE of Decatur, Illinois. Line 501 ran W-E from the Illinois Basin – Decatur Project (IBDP) site to northwestern Douglas County and was 25 miles in length. Line 601 was the shortest and ran N-S past the IBDP site and connected lines 101 and 501. All three lines are correlated to well logs at the IBDP site. Originally processed in 2011, the 2D seismic profiles exhibited a degradation of signal quality below ~400 millisecond (ms) which made

  16. Radiofrequency Spectroscopy and Thermodynamics of Fermi Gases in the 2D to Quasi-2D Dimensional Crossover

    NASA Astrophysics Data System (ADS)

    Cheng, Chingyun; Kangara, Jayampathi; Arakelyan, Ilya; Thomas, John

    2016-05-01

    We tune the dimensionality of a strongly interacting degenerate 6 Li Fermi gas from 2D to quasi-2D, by adjusting the radial confinement of pancake-shaped clouds to control the radial chemical potential. In the 2D regime with weak radial confinement, the measured pair binding energies are in agreement with 2D-BCS mean field theory, which predicts dimer pairing energies in the many-body regime. In the qausi-2D regime obtained with increased radial confinement, the measured pairing energy deviates significantly from 2D-BCS theory. In contrast to the pairing energy, the measured radii of the cloud profiles are not fit by 2D-BCS theory in either the 2D or quasi-2D regimes, but are fit in both regimes by a beyond mean field polaron-model of the free energy. Supported by DOE, ARO, NSF, and AFOSR.

  17. BAT AGN Spectroscopic Survey - IV: Near-Infrared Coronal Lines, Hidden Broad Lines, and Correlation with Hard X-ray Emission

    NASA Astrophysics Data System (ADS)

    Lamperti, Isabella; Koss, Michael; Trakhtenbrot, Benny; Schawinski, Kevin; Ricci, Claudio; Oh, Kyuseok; Landt, Hermine; Riffel, Rogério; Rodríguez-Ardila, Alberto; Gehrels, Neil; Harrison, Fiona; Masetti, Nicola; Mushotzky, Richard; Treister, Ezequiel; Ueda, Yoshihiro; Veilleux, Sylvain

    2017-01-01

    We provide a comprehensive census of the near-Infrared (NIR, 0.8-2.4 μm) spectroscopic properties of 102 nearby (z < 0.075) active galactic nuclei (AGN), selected in the hard X-ray band (14-195 keV) from the Swift-Burst Alert Telescope (BAT) survey. With the launch of the James Webb Space Telescope this regime is of increasing importance for dusty and obscured AGN surveys. We measure black hole masses in 68% (69/102) of the sample using broad emission lines (34/102) and/or the velocity dispersion of the Ca II triplet or the CO band-heads (46/102). We find that emission line diagnostics in the NIR are ineffective at identifying bright, nearby AGN galaxies because ([Fe II] 1.257μm/Paβ and H2 2.12μm/Brγ) identify only 25% (25/102) as AGN with significant overlap with star forming galaxies and only 20% of Seyfert 2 have detected coronal lines (6/30). We measure the coronal line emission in Seyfert 2 to be weaker than in Seyfert 1 of the same bolometric luminosity suggesting obscuration by the nuclear torus. We find that the correlation between the hard X-ray and the [Fe II] coronal line luminosity is significantly better than with the [O III] λ5007 luminosity. Finally, we find 3/29 galaxies (10%) that are optically classified as Seyfert 2 show broad emission lines in the NIR. These AGN have the lowest levels of obscuration among the Seyfert 2s in our sample (log NH < 22.43 cm-2), and all show signs of galaxy-scale interactions or mergers suggesting that the optical broad emission lines are obscured by host galaxy dust.

  18. Reduction and analysis of seasons 15 and 16 (1991 - 1992) Pioneer Venus radio occultation data and correlative studies with observations of the near-infrared emission of Venus

    NASA Technical Reports Server (NTRS)

    Jenkins, Jon M.

    1992-01-01

    Radio occultation experiments, and radio astronomical observations have suggested that significant variations (both spatial and temporal) in the abundances of sulfur-bearing gases are occurring below the Venus cloud layers. In addition, recent Near Infra-Red images of the nightside of Venus revealed large-scale features which sustain their shape over multiple rotations (the rotation periods of the features are 6.0 +/- 0.5 days). Presumably, the contrast variations in the NIR images are caused by variations in the abundance of large particles in the cloud deck. If these particles are composed of liquid sulfuric acid, one would expect a strong anticorrelation between regions with a high abundance of sulfuric acid vapor, and regions where there are large particles. One technique for monitoring the abundance and distribution of sulfuric acid vapor (H2SO4) at and below the main Venus cloud layer (altitudes below 50 km) is to measure the 13-cm wavelength opacity using Pioneer Venus Orbiter Radio Occultation Studies (PV-ORO). We are working to characterize variations in the abundance and distribution of subcloud H2SO4(g) in the Venus atmosphere by using a number of 13-cm radio occultation measurements conducted with the Pioneer Venus Orbiter near the inferior conjunction of 1991. When retrieved, the vertical profiles of the abundance of H2SO4(g) will be compared and correlated with NIR images of the night side of Venus made during the same period of time. Hopefully, the combination of these two different types of data will make it possible to constrain or identify the composition of the large particles causing the features observed in the NIR images. Considered on their own, however, the parameters retrieved from the radio occultation experiments are valuable science products.

  19. Identification of weak transitions using moving-window two-dimensional correlation analysis: treatment with scaling techniques.

    PubMed

    Zhou, Tao; Liu, Yongcheng; Peng, Leilei; Zhan, Yanhui; Liu, Feiwei; Zhang, Aiming; Li, Lin

    2014-07-01

    In the present study, the theory of the data treatment with scaling techniques for moving-window two-dimensional (scaling-MW2D) correlation analysis was first proposed. This new analytical method of spectroscopy can significantly enhance the resolving capacity of the moving-window two-dimensional (MW2D) correlation infrared spectroscopy in the direction of the perturbation variable. So, it strengthened the ability of MW2D to highlight the weak transitions. The in situ infrared spectra of four common polymers, including polyamide 66 (PA66), polystyrene-block-polybutadiene-block-polystyrene block copolymer (SBS), isotactic polypropylene (iPP), and polyoxymethylene (POM), were employed to illustrate the advantages of scaling-MW2D. In the applications of the present study, the conventional autocorrelation MW2D can only distinguish the melting point of PA66, the maximum crystallization temperature of POM, and the primary oxidation of SBS. However, the autocorrelation scaling-MW2D not only can more easily determine the above transitions, but also can identify PA66 brill transition, the dissociation of adsorbed water in PA66, POM secondary crystallization, the glass transition of hard blocks in SBS, and the generation of the aldehyde and hydroxyl groups during SBS oxidation. Our further study found that the selection of the scaling factor α was very important. The golden point α = 0.618 was the best value, and satisfactory application results can be achieved. The slice scaling-MW2D was also investigated. The scaling-MW2D method of spectroscopy can be used elsewhere. The application of this analytical method should not be limited to the infrared spectra, and it also should not be limited to transitions in polymers. This method can be easily extended and applied to other materials and spectra.

  20. Graphene and Other 2D Colloids: Liquid Crystals and Macroscopic Fibers.

    PubMed

    Liu, Yingjun; Xu, Zhen; Gao, Weiwei; Cheng, Zhengdong; Gao, Chao

    2017-02-24

    Two-dimensional colloidal nanomaterials are running into renaissance after the enlightening researches of graphene. Macroscopic one-dimensional fiber is an optimal ordered structural form to express the in-plane merits of 2D nanomaterials, and the formation of liquid crystals (LCs) allows the creation of continuous fibers. In the correlated system from LCs to fibers, understanding their macroscopic organizing behavior and transforming them into new solid fibers is greatly significant for applications. Herein, we retrospect the history of 2D colloids and discuss about the concept of 2D nanomaterial fibers in the context of LCs, elaborating the motivation, principle and possible strategies of fabrication. Then we highlight the creation, development and typical applications of graphene fibers. Additionally, the latest advances of other 2D nanomaterial fibers are also summarized. Finally, conclusions, challenges and perspectives are provided to show great expectations of better and more fibrous materials of 2D nanomaterials. This review gives a comprehensive retrospect of the past century-long effort about the whole development of 2D colloids, and plots a clear roadmap - "lamellar solid - LCs - macroscopic fibers - flexible devices", which will certainly open a new era of structural-multifunctional application for the conventional 2D colloids.

  1. 2D discrete Fourier transform on sliding windows.

    PubMed

    Park, Chun-Su

    2015-03-01

    Discrete Fourier transform (DFT) is the most widely used method for determining the frequency spectra of digital signals. In this paper, a 2D sliding DFT (2D SDFT) algorithm is proposed for fast implementation of the DFT on 2D sliding windows. The proposed 2D SDFT algorithm directly computes the DFT bins of the current window using the precalculated bins of the previous window. Since the proposed algorithm is designed to accelerate the sliding transform process of a 2D input signal, it can be directly applied to computer vision and image processing applications. The theoretical analysis shows that the computational requirement of the proposed 2D SDFT algorithm is the lowest among existing 2D DFT algorithms. Moreover, the output of the 2D SDFT is mathematically equivalent to that of the traditional DFT at all pixel positions.

  2. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1989-03-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculations assume local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  3. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1988-08-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculation assumes local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  4. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  5. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  6. NIKE2D96. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Raboin, P.; Engelmann, B.; Halquist, J.O.

    1992-01-24

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  7. Interferometric 2D Sum Frequency Generation Spectroscopy Reveals Structural Heterogeneity of Catalytic Monolayers on Transparent Materials.

    PubMed

    Vanselous, Heather; Stingel, Ashley M; Petersen, Poul B

    2017-02-16

    Molecular monolayers exhibit structural and dynamical properties that are different from their bulk counterparts due to their interaction with the substrate. Extracting these distinct properties is crucial for a better understanding of processes such as heterogeneous catalysis and interfacial charge transfer. Ultrafast nonlinear spectroscopic techniques such as 2D infrared (2D IR) spectroscopy are powerful tools for understanding molecular dynamics in complex bulk systems. Here, we build on technical advancements in 2D IR and heterodyne-detected sum frequency generation (SFG) spectroscopy to study a CO2 reduction catalyst on nanostructured TiO2 with interferometric 2D SFG spectroscopy. Our method combines phase-stable heterodyne detection employing an external local oscillator with a broad-band pump pulse pair to provide the first high spectral and temporal resolution 2D SFG spectra of a transparent material. We determine the overall molecular orientation of the catalyst and find that there is a static structural heterogeneity reflective of different local environments at the surface.

  8. Occluded target viewing and identification high-resolution 2D imaging laser radar

    NASA Astrophysics Data System (ADS)

    Grasso, Robert J.; Dippel, George F.; Cecchetti, Kristen D.; Wikman, John C.; Drouin, David P.; Egbert, Paul I.

    2007-09-01

    BAE SYSTEMS has developed a high-resolution 2D imaging laser radar (LADAR) system that has proven its ability to detect and identify hard targets in occluded environments, through battlefield obscurants, and through naturally occurring image-degrading atmospheres. Limitations of passive infrared imaging for target identification using medium wavelength infrared (MWIR) and long wavelength infrared (LWIR) atmospheric windows are well known. Of particular concern is that as wavelength is increased the aperture must be increased to maintain resolution, hence, driving apertures to be very larger for long-range identification; impractical because of size, weight, and optics cost. Conversely, at smaller apertures and with large f-numbers images may become photon starved with long integration times. Here, images are most susceptible to distortion from atmospheric turbulence, platform vibration, or both. Additionally, long-range identification using passive thermal imaging is clutter limited arising from objects in close proximity to the target object.

  9. 2D to 3D transition of polymeric carbon nitride nanosheets

    SciTech Connect

    Chamorro-Posada, Pedro; Vázquez-Cabo, José; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

    2014-11-15

    The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

  10. Divergences in KIR2D+ natural killer and KIR2D+CD8+ T-cell reconstitution following liver transplantation.

    PubMed

    López-Álvarez, M R; Campillo, J A; Legaz, I; Blanco-García, R M; Salgado-Cecilia, G; Bolarín, J M; Gimeno, L; Gil, J; García-Alonso, A M; Muro, M; Alvarez-López, M R; Miras, M; Minguela, A

    2011-03-01

    Natural killer (NK) and CD8(+) T cells may be active elements in the allograft response, but little is known about their role in liver transplantation. Some of these cells express killer immunoglobulin-like receptors (KIRs), which after binding specific ligands may transmit inhibitory/activating signals. In this study, circulating NK and CD8(+) T cells expressing CD158a/h (KIR2DL1/S1) or CD158b/j (KIR2DL2/3/S(2)) receptors were analyzed in 142 liver recipients by flow cytometry. They were underrepresented in patients before transplantation, but following transplantation, whereas the KIR2D(+) NK subsets experienced a late recuperation (day 365) mainly in C2-homozygous patients developing early acute rejection, recovery of the 2 CD8(+)KIR2D(+) T cells started earlier, showing significant differences on day 365 between patients without acute rejection and those suffering from it (p = 0.004 and p < 0.0001, respectively). These differences were also evident when the human leukocute antigen-C genotypes of the recipient were considered. In conclusion, whereas the late recovery of KIR2D(+) NK cells in C2/C2 patients appears to be linked to acute rejection, the increase in early CD8(+)KIR2D(+) T cells in overall liver recipients correlates with a most successful early graft outcome. Therefore, monitoring of KIR2D(+) cells appears to be a useful tool for liver transplant follow-up.

  11. Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy.

    PubMed

    van Wilderen, Luuk J G W; Kern-Michler, Daniela; Müller-Werkmeister, Henrike M; Bredenbeck, Jens

    2014-09-28

    We investigated the characteristics of the thiocyanate (SCN) functional group as a probe of local structural dynamics for 2D-IR spectroscopy of proteins, exploiting the dependence of vibrational frequency on the environment of the label. Steady-state and time-resolved infrared spectroscopy are performed on the model compound methylthiocyanate (MeSCN) in solvents of different polarity, and compared to data obtained on SCN as a local probe introduced as cyanylated cysteine in the protein bovine hemoglobin. The vibrational lifetime of the protein label is determined to be 37 ps, and its anharmonicity is observed to be lower than that of the model compound (which itself exhibits solvent-independent anharmonicity). The vibrational lifetime of MeSCN generally correlates with the solvent polarity, i.e. longer lifetimes in less polar solvents, with the longest lifetime being 158 ps. However, the capacity of the solvent to form hydrogen bonds complicates this simplified picture. The long lifetime of the SCN vibration is in contrast to commonly used azide labels or isotopically-labeled amide I and better suited to monitor structural rearrangements by 2D-IR spectroscopy. We present time-dependent 2D-IR data on the labeled protein which reveal an initially inhomogeneous structure around the CN oscillator. The distribution becomes homogeneous after 5 picoseconds so that spectral diffusion has effectively erased the 'memory' of the CN stretching frequency. Therefore, the 2D-IR data of the label incorporated in hemoglobin demonstrate how SCN can be utilized to sense rearrangements in the local structure on a picosecond timescale.

  12. Socioeconomic status is associated with striatal dopamine D2/D3 receptors in healthy volunteers but not in cocaine abusers

    PubMed Central

    Wiers, Corinde E.; Shokri-Kojori, Ehsan; Cabrera, Elizabeth; Cunningham, Samantha; Wong, Christopher; Tomasi, Dardo; Wang, Gene-Jack; Volkow, Nora D.

    2016-01-01

    Positron emission tomography (PET) studies in animals and humans have shown that social status is associated with striatal dopamine D2/D3 receptor (D2/D3R) availability. That is, higher social hierarchy and higher scores on questionnaires assessing social status correlated positively with striatal D2/D3R availability in animals and humans respectively. Furthermore, subordinate monkeys were vulnerable to cocaine self-administration, suggesting that alternations in social hierarchy can change D2/D3R availability and vulnerability to cocaine use. Here, we investigated whether socioeconomic status (SES) measured with the Hollingshead scale is associated with striatal D2D/3R availability using [11C]raclopride PET in 38 cocaine abusers and 42 healthy controls matched for age and education. Compared to controls, cocaine abusers showed lower D2/D3R availability in the caudate, putamen and ventral striatum (all p≤.001). Despite matching groups for education, SES scores were lower in cocaine abusers than controls (p<.001). In the control group only, SES scores significantly correlated with D2/D3R in caudate (r=.35, p=.024) and putamen (r=.39, p=.011) but not in ventral striatum (p=.61); all corrected for age. The study confirms that SES is associated with striatal D2/D3R availability in healthy human volunteers. However, reductions in D2/D3R availability in cocaine abusers may be driven by factors other than SES such as chronic cocaine exposure. PMID:26828302

  13. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  14. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  15. 2D-fractal based algorithms for nanoparticles characterization

    NASA Astrophysics Data System (ADS)

    Bonifazi, Giuseppe; Serranti, Silvia

    2014-02-01

    Fractal geometry concerns the study of non-Euclidean geometrical figures generated by a recursive sequence of mathematical operations. The proposed 2D-fractal approach was applied to characterise the image structure and texture generated by fine and ultra-fine particles when impacting on a flat surface. The work was developed with reference to particles usually produced by ultra-fine milling addressed to generate nano-particles population. In order to generate different particle populations to utilize in the study, specific milling actions have been thus performed adopting different milling actions and utilising different materials, both in terms of original size class distribution and chemical-physical attributes. The aim of the work was to develop a simple, reliable and low cost analytical set of procedures with the ability to establish correlations between particles detected by fractal characteristics and their milled-induced-properties (i.e. size class distribution, shape, surface properties, etc.). Such logic should constitute the core of a control engine addressed to realize a full monitoring of the milling process as well as to establish correlation between operative parameters, fed and resulting products characteristics.

  16. 2-d Packing of Prolate Granular Materials

    NASA Astrophysics Data System (ADS)

    Franklin, Scott

    2002-11-01

    Piles of extremely prolate (aspect ratio α=L/D>10) granular materials are qualitatively different than lower aspect-ratio particles. One can run a hand through sand, for example, but not through nails. In three dimensions this transition occurs at α ˜ 35. We investigate the two-dimensional packing of particles with aspect ratios ranging from 10-44, comparing experiments with Monte-Carlo simulations. Particle alignment can quantified by an orientational order correlation function and related to the packing fraction. In both simulation and experiment the correlation between particle orientation decays after a distance of two particle lengths. We also quantify the distribution of voids in the pile, finding it to follow a power law with exponent -β=-2.370.05. Dynamic experiments involve rotating the pile. Particles with aspect ratio as low as 10 do not appear to have a well defined angle of repose, suggesting that the transition to rigidity occurs at a far lower aspect ratio in two dimensions. Preliminary results from this experiment will be presented.

  17. Critical Slowing of Density Fluctuations Approaching the Isotropic-Nematic Transition in Liquid Crystals: 2D IR Measurements and Mode Coupling Theory.

    PubMed

    Sokolowsky, Kathleen P; Bailey, Heather E; Hoffman, David J; Andersen, Hans C; Fayer, Michael D

    2016-07-21

    Two-dimensional infrared (2D IR) data are presented for a vibrational probe in three nematogens: 4-cyano-4'-pentylbiphenyl, 4-cyano-4'-octylbiphenyl, and 4-(trans-4-amylcyclohexyl)-benzonitrile. The spectral diffusion time constants in all three liquids in the isotropic phase are proportional to [T*/(T - T*)](1/2), where T* is 0.5-1 K below the isotropic-nematic phase transition temperature (TNI). Rescaling to a reduced temperature shows that the decays of the frequency-frequency correlation function (FFCF) for all three nematogens fall on the same curve, suggesting a universal dynamic behavior of nematogens above TNI. Spectral diffusion is complete before significant orientational relaxation in the liquid, as measured by optically heterodyne detected-optical Kerr effect (OHD-OKE) spectroscopy, and before any significant orientational randomization of the probe measured by polarization selective IR pump-probe experiments. To interpret the OHD-OKE and FFCF data, we constructed a mode coupling theory (MCT) schematic model for the relationships among three correlation functions: ϕ1, a correlator for large wave vector density fluctuations; ϕ2, the orientational correlation function whose time derivative is the observable in the OHD-OKE experiment; and ϕ3, the FFCF for the 2D IR experiment. The equations for ϕ1 and ϕ2 match those in the previous MCT schematic model for nematogens, and ϕ3 is coupled to the first two correlators in a straightforward manner. Resulting models fit the data very well. Across liquid crystals, the temperature dependences of the coupling constants show consistent, nonmonotonic behavior. A remarkable change in coupling occurs at ∼5 K above TNI, precisely where the rate of spectral diffusion in 5CB was observed to deviate from that of a similar nonmesogenic liquid.

  18. Infrared Investigations.

    ERIC Educational Resources Information Center

    Lascours, Jean; Albe, Virginie

    2001-01-01

    Describes a series of simple and nontraditional experiments that enable students to discover the properties of infrared radiation by studying the propagation, reflection, diffusion, and refraction of infrared. The experiments rely on two modules, an infrared transmitter and an infrared receiver. (SAH)

  19. Line shape analysis of two-dimensional infrared spectra

    PubMed Central

    Guo, Qi; Pagano, Philip; Li, Yun-Liang; Kohen, Amnon; Cheatum, Christopher M.

    2015-01-01

    Ultrafast two-dimensional infrared (2D IR) spectroscopy probes femtosecond to picosecond time scale dynamics ranging from solvation to protein motions. The frequency-frequency correlation function (FFCF) is the quantitative measure of the spectral diffusion that reports those dynamics and, within certain approximations, can be extracted directly from 2D IR line shapes. A variety of methods have been developed to extract the FFCF from 2D IR spectra, which, in principle, should give the same FFCF parameters, but the complexity of real experimental systems will affect the results of these analyses differently. Here, we compare five common analysis methods using both simulated and experimental 2D IR spectra to understand the effects of apodization, anharmonicity, phasing errors, and finite signal-to-noise ratios on the results of each of these analyses. Our results show that although all of the methods can, in principle, yield the FFCF under idealized circumstances, under more realistic experimental conditions they behave quite differently, and we find that the centerline slope analysis yields the best compromise between the effects we test and is most robust to the distortions that they cause. PMID:26049447

  20. HI Intensity Mapping: Parkes-2dFGRS and BAO science

    NASA Astrophysics Data System (ADS)

    Li, Yi-Chao; Staveley-Smith, Lister; Pen, Ue-Li; Chang, Tzu-Ching; Peterson, Jeff; Bandura, Kevin; Chen, Xuelei; Wang, Xin; Price, Danny; Montero-Castano, Maria; Anderson, Christopher; Voytek, Tabitha; Masui, Kiyoshi; Switzer, Eric; Wu, Feng-Quan; Timbie, Peter; Liao, Yu-Wei Victor; Li, zhigang

    2012-10-01

    We propose to scan the 2dF survey field with Parkes multibeam in driftscan mode to make a map of cosmological large scale structure. This allows a statistical detection of HI large scale structure out to z=0.15. In this cross correlation, the HI in ALL galaxies contributes, not only the bright ones, which significantly boosts the sensitivity.

  1. The potential of 2D Kalman filtering for soil moisture data assimilation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We examine the potential for parameterizing a two-dimensional (2D) land data assimilation system using spatial error auto-correlation statistics gleaned from a triple collocation analysis and the triplet of: (1) active microwave-, (2) passive microwave- and (3) land surface model-based surface soil ...

  2. Antibody-NKG2D Ligand (Rae-1Beta) Fusion Protein for Breast Cancer Therapy

    DTIC Science & Technology

    2005-08-01

    IgG3) is included for L 25 - comparison. ,20- ൜- Non-Reduced Reduced Purified Proteins NKG2D ligand, Rae-113, and to explore the possibility the...significanti correlation tp flMtc(Aini 4) theric hiu of these prelciminacx aicalysc, inidicaite cadiciiintal stcccles webh farce- &-trillirs of wciitien hav

  3. Residual lens effects in 2D mode of auto-stereoscopic lenticular-based switchable 2D/3D displays

    NASA Astrophysics Data System (ADS)

    Sluijter, M.; IJzerman, W. L.; de Boer, D. K. G.; de Zwart, S. T.

    2006-04-01

    We discuss residual lens effects in multi-view switchable auto-stereoscopic lenticular-based 2D/3D displays. With the introduction of a switchable lenticular, it is possible to switch between a 2D mode and a 3D mode. The 2D mode displays conventional content, whereas the 3D mode provides the sensation of depth to the viewer. The uniformity of a display in the 2D mode is quantified by the quality parameter modulation depth. In order to reduce the modulation depth in the 2D mode, birefringent lens plates are investigated analytically and numerically, by ray tracing. We can conclude that the modulation depth in the 2D mode can be substantially decreased by using birefringent lens plates with a perfect index match between lens material and lens plate. Birefringent lens plates do not disturb the 3D performance of a switchable 2D/3D display.

  4. Differential CYP 2D6 metabolism alters primaquine pharmacokinetics.

    PubMed

    Potter, Brittney M J; Xie, Lisa H; Vuong, Chau; Zhang, Jing; Zhang, Ping; Duan, Dehui; Luong, Thu-Lan T; Bandara Herath, H M T; Dhammika Nanayakkara, N P; Tekwani, Babu L; Walker, Larry A; Nolan, Christina K; Sciotti, Richard J; Zottig, Victor E; Smith, Philip L; Paris, Robert M; Read, Lisa T; Li, Qigui; Pybus, Brandon S; Sousa, Jason C; Reichard, Gregory A; Marcsisin, Sean R

    2015-04-01

    Primaquine (PQ) metabolism by the cytochrome P450 (CYP) 2D family of enzymes is required for antimalarial activity in both humans (2D6) and mice (2D). Human CYP 2D6 is highly polymorphic, and decreased CYP 2D6 enzyme activity has been linked to decreased PQ antimalarial activity. Despite the importance of CYP 2D metabolism in PQ efficacy, the exact role that these enzymes play in PQ metabolism and pharmacokinetics has not been extensively studied in vivo. In this study, a series of PQ pharmacokinetic experiments were conducted in mice with differential CYP 2D metabolism characteristics, including wild-type (WT), CYP 2D knockout (KO), and humanized CYP 2D6 (KO/knock-in [KO/KI]) mice. Plasma and liver pharmacokinetic profiles from a single PQ dose (20 mg/kg of body weight) differed significantly among the strains for PQ and carboxy-PQ. Additionally, due to the suspected role of phenolic metabolites in PQ efficacy, these were probed using reference standards. Levels of phenolic metabolites were highest in mice capable of metabolizing CYP 2D6 substrates (WT and KO/KI 2D6 mice). PQ phenolic metabolites were present in different quantities in the two strains, illustrating species-specific differences in PQ metabolism between the human and mouse enzymes. Taking the data together, this report furthers understanding of PQ pharmacokinetics in the context of differential CYP 2D metabolism and has important implications for PQ administration in humans with different levels of CYP 2D6 enzyme activity.

  5. Mechanical characterization of 2D, 2D stitched, and 3D braided/RTM materials

    NASA Technical Reports Server (NTRS)

    Deaton, Jerry W.; Kullerd, Susan M.; Portanova, Marc A.

    1993-01-01

    Braided composite materials have potential for application in aircraft structures. Fuselage frames, floor beams, wing spars, and stiffeners are examples where braided composites could find application if cost effective processing and damage tolerance requirements are met. Another important consideration for braided composites relates to their mechanical properties and how they compare to the properties of composites produced by other textile composite processes being proposed for these applications. Unfortunately, mechanical property data for braided composites do not appear extensively in the literature. Data are presented in this paper on the mechanical characterization of 2D triaxial braid, 2D triaxial braid plus stitching, and 3D (through-the-thickness) braid composite materials. The braided preforms all had the same graphite tow size and the same nominal braid architectures, (+/- 30 deg/0 deg), and were resin transfer molded (RTM) using the same mold for each of two different resin systems. Static data are presented for notched and unnotched tension, notched and unnotched compression, and compression after impact strengths at room temperature. In addition, some static results, after environmental conditioning, are included. Baseline tension and compression fatigue results are also presented, but only for the 3D braided composite material with one of the resin systems.

  6. Cytochrome P450 2D6 Activity Predicts Discontinuation of Tamoxifen Therapy in Breast Cancer Patients

    PubMed Central

    Rae, James M.; Sikora, Matthew J.; Henry, N. Lynn; Li, Lang; Kim, Seongho; Oesterreich, Steffi; Skaar, Todd; Nguyen, Anne T.; Desta, Zeruesenay; Storniolo, Anna Maria; Flockhart, David A.; Hayes, Daniel F.; Stearns, Vered

    2009-01-01

    The selective estrogen receptor modulator tamoxifen is routinely used for treatment and prevention of estrogen receptor positive breast cancer. Studies of tamoxifen adherence suggest that over half of patients discontinue treatment before the recommended 5 years. We hypothesized that polymorphisms in CYP2D6, the enzyme responsible for tamoxifen activation, predict for tamoxifen discontinuation. Tamoxifen-treated women (n = 297) were genotyped for CYP2D6 variants and assigned a “score” based on predicted allele activities from 0 (no activity) to 2 (high activity). Correlation between CYP2D6 score and discontinuation rates at 4 months were tested. We observed a strong non-linear correlation between higher CYP2D6 score and increased rates of discontinuation (r2 = 0.935, p = 0.018). These data suggest that presence of active CYP2D6 alleles may predict for higher likelihood of tamoxifen discontinuation. Therefore, patients who may be most likely to benefit from tamoxifen may paradoxically be most likely to discontinue treatment prematurely. PMID:19421167

  7. Genetic polymorphism of CYP2D6 in patients with systemic lupus erythematosus and systemic sclerosis.

    PubMed

    Barańska, Małgorzata; Rychlik-Sych, Mariola; Kaszuba, Andrzej; Dziankowska-Bartkowiak, Bożena; Skrętkowicz, Jadwiga; Waszczykowska, Elżbieta

    2016-01-20

    Human organism is constantly exposed to harmful exogenous factors (xenobiotics) including drugs and carcinogenic compounds that can induce development of a large number of diseases. The processes of biotransformation in the organism are multidirectional and xenobiotics can be transformed into active or inactive metabolites via the oxidative route. The knowledge of oxidation polymorphism in the course of systemic lupus erythematosus and systemic sclerosis may be helpful in choosing more efficient and safer therapy, particularly in the case of a disease involving various organs and treated with drugs belonging to diverse therapeutic groups. The aim of the study was to evaluate the CYP2D6 polymorphism in the SLE (systemic lupus erythematosus) and SSc (systemic sclerosis) patients and to investigate a possible correlation with disease susceptibility. The study was carried out in 296 patients: 65 patients with SLE, 81 patients with SSc, and 150 healthy volunteers. The CYP2D6 genotypes were analyzed by polymerase chain reaction fragment length polymorphism (PCR-RFLP) method. The relative risk of developing SSc, expressed by the odds ratio, was three-fold higher for persons with the CYP2D6*1/CYP2D6*4 genotype (OR = 2.9; statistically significant difference, p = 0.0002). A statistically significant correlation between the CYP2D6*4 allele prevalence and the risk for developing SSc was found (OR = 1.53; p = 0.047). No effect of the CYP2D6 gene mutations on the incidence of SLE was noted. The obtained results may suggest the influence of CYP2D6*4 gene variants alleles on increased incidence of systemic sclerosis.

  8. Correlation among far-infrared reflection modes, crystal structures and dielectric properties of Ba(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–CaTiO{sub 3} ceramics

    SciTech Connect

    Shi, Feng Sun, Haiqing; Liu, Hongquan; Xu, Guogang; Wang, Jing; Han, Ye

    2016-03-15

    Highlights: • Crystal symmetry decreases with CT concentration from cubic to hexagonal structure. • Lattice constants as well as the ordered degree change with CT concentration. • Ordered structures turn from 1:1 to 1:2 ordering with change of crystal structures. • There is a correlation between FIR phonon modes and dielectric properties. • There is a correlation between FIR phonon modes and crystal structures. - Abstract: Ba(Zn{sub 1/3}Nb{sub 2/3})O{sub 3} (BZN)–CaTiO{sub 3} (CT) microwave dielectric ceramics were synthesized at 1395 °C for 4 h using conventional solid-state sintering technique with different CT contents. The ceramics were characterized by X-ray diffraction (XRD) and far-infrared reflection (FIR) spectroscopy to evaluate correlations among crystal structures, dielectric properties, and infrared modes. XRD results showed that crystal symmetry decreased with increased CT concentration from cubic to hexagonal structure, and lattice constants and ordered degree changed accordingly. Ordered phases transformed from 1:1 to 1:2 ordered structure with crystal-structure change. FIR results demonstrated that two new IR active modes appeared at 300 cm{sup −1}, and another new mode appeared at 600 cm{sup −1} for the x ≥ 0.60 sample, which agreed with the change in crystal structures as confirmed by XRD results. Correlations between FIR modes and dielectric properties were established.

  9. 2D/3D Visual Tracker for Rover Mast

    NASA Technical Reports Server (NTRS)

    Bajracharya, Max; Madison, Richard W.; Nesnas, Issa A.; Bandari, Esfandiar; Kunz, Clayton; Deans, Matt; Bualat, Maria

    2006-01-01

    A visual-tracker computer program controls an articulated mast on a Mars rover to keep a designated feature (a target) in view while the rover drives toward the target, avoiding obstacles. Several prior visual-tracker programs have been tested on rover platforms; most require very small and well-estimated motion between consecutive image frames a requirement that is not realistic for a rover on rough terrain. The present visual-tracker program is designed to handle large image motions that lead to significant changes in feature geometry and photometry between frames. When a point is selected in one of the images acquired from stereoscopic cameras on the mast, a stereo triangulation algorithm computes a three-dimensional (3D) location for the target. As the rover moves, its body-mounted cameras feed images to a visual-odometry algorithm, which tracks two-dimensional (2D) corner features and computes their old and new 3D locations. The algorithm rejects points, the 3D motions of which are inconsistent with a rigid-world constraint, and then computes the apparent change in the rover pose (i.e., translation and rotation). The mast pan and tilt angles needed to keep the target centered in the field-of-view of the cameras (thereby minimizing the area over which the 2D-tracking algorithm must operate) are computed from the estimated change in the rover pose, the 3D position of the target feature, and a model of kinematics of the mast. If the motion between the consecutive frames is still large (i.e., 3D tracking was unsuccessful), an adaptive view-based matching technique is applied to the new image. This technique uses correlation-based template matching, in which a feature template is scaled by the ratio between the depth in the original template and the depth of pixels in the new image. This is repeated over the entire search window and the best correlation results indicate the appropriate match. The program could be a core for building application programs for systems

  10. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

  11. Synthetic Covalent and Non-Covalent 2D Materials.

    PubMed

    Boott, Charlotte E; Nazemi, Ali; Manners, Ian

    2015-11-16

    The creation of synthetic 2D materials represents an attractive challenge that is ultimately driven by their prospective uses in, for example, electronics, biomedicine, catalysis, sensing, and as membranes for separation and filtration. This Review illustrates some recent advances in this diverse field with a focus on covalent and non-covalent 2D polymers and frameworks, and self-assembled 2D materials derived from nanoparticles, homopolymers, and block copolymers.

  12. Cytochrome P450 2D6 variants in a Caucasian population: Allele frequencies and phenotypic consequences

    SciTech Connect

    Sachse, C.; Brockmoeller, J.; Bauer, S.; Roots, I.

    1997-02-01

    Cytochrome P450 2D6 (CYP2D6) metabolizes many important drugs. CYP2D6 activity ranges from complete deficiency to ultrafast metabolism, depending on at least 16 different known alleles. Their frequencies were determined in 589 unrelated German volunteers and correlated with enzyme activity measured by phenotyping with dextromethorphan or debrisoquine. For genotyping, nested PCR-RFLP tests from a PCR amplificate of the entire CYP2D6 gene were developed. The frequency of the CYP2D6*1 allele coding for extensive metabolizer (EM) phenotype was .364. The alleles coding for slightly (CYP2D6*2) or moderately (*9 and *10) reduced activity (intermediate metabolizer phenotype [IM]) showed frequencies of .324, .018, and .015, respectively. By use of novel PCR tests for discrimination, CYP2D6 gene duplication alleles were found with frequencies of.005 (*1 x 2), .013 (* 2 x 2), and .001 (*4 x 2). Frequencies of alleles with complete deficiency (poor metabolizer phenotype [PM]) were .207 (*4), .020 (*3 and *5), .009 (*6), and .001 (*7, *15, and *16). The defective CYP2D6 alleles *8, *11, *12, *13, and *14 were not found. All 41 PMs (7.0%) in this sample were explained by five mutations detected by four PCR-RFLP tests, which may suffice, together with the gene duplication test, for clinical prediction of CYP2D6 capacity. Three novel variants of known CYP2D6 alleles were discovered: *1C (T{sub 1957}C), *2B (additional C{sub 2558}T), and *4E (additional C{sub 2938}T). Analysis of variance showed significant differences in enzymatic activity measured by the dextromethorphan metabolic ratio (MR) between carriers of EN/PM (mean MR = .006) and IM/PM (mean MR = .014) alleles and between carriers of one (mean MR = .009) and two (mean MR = .003) functional alleles. The results of this study provide a solid basis for prediction of CYP2D6 capacity, as required in drug research and routine drug treatment. 35 refs., 4 figs., 5 tabs.

  13. Experimental studies of spin-imbalanced Fermi gases in 2D geometries

    NASA Astrophysics Data System (ADS)

    Thomas, John

    We study the thermodynamics of a quasi-two-dimensional Fermi gas, which is not quite two-dimensional (2D), but far from three dimensional (3D). This system offers opportunities to test predictions that cross interdisciplinary boundaries, such as enhanced superfluid transition temperatures in spin-imbalanced quasi-2D superconductors, and provides important benchmarks for calculations of the phase diagrams. In the experiments, an ultra-cold Fermi gas is confined in an infrared CO2 laser standing-wave, which produces periodic pancake-shaped potential wells, separated by 5.3 μm. To study the thermodynamics, we load an ultra-cold mixture of N1 = 800 spin 1/2 -up and N2 2D-BCS theory, but can be fit by a 2D-polaron gas model, where each atom is surrounded by a cloud of particle-hole pairs of the opposite spin. However, this model fails to predict a transition to a spin-balanced central region as N2/N1is increased. Supported by the physics divisions of ARO, AFOSR, and NSF and by the Division of Materials Science and Engineering, the Office of Basic Energy Sciences, DOE.

  14. 3D surface reconstruction of apples from 2D NIR images

    NASA Astrophysics Data System (ADS)

    Zhu, Bin; Jiang, Lu; Cheng, Xuemei; Tao, Yang

    2005-11-01

    Machine vision methods are widely used in apple defect detection and quality grading applications. Currently, 2D near-infrared (NIR) imaging of apples is often used to detect apple defects because the image intensity of defects is different from normal apple parts. However, a drawback of this method is that the apple calyx also exhibits similar image intensity to the apple defects. Since an apple calyx often appears in the NIR image, the false alarm rate is high with the 2D NIR imaging method. In this paper, a 2D NIR imaging method is extended to a 3D reconstruction so that the apple calyx can be differentiated from apple defects according to their different 3D depth information. The Lambertian model is used to evaluate the reflectance map of the apple surface, and then Pentland's Shape-From-Shading (SFS) method is applied to reconstruct the 3D surface information of the apple based on Fast Fourier Transform (FFT). Pentland's method is directly derived from human perception properties, making it close to the way human eyes recover 3D information from a 2D scene. In addition, the FFT reduces the computation time significantly. The reconstructed 3D apple surface maps are shown in the results, and different depths of apple calyx and defects are obtained correctly.

  15. Epitaxial 2D SnSe2/ 2D WSe2 van der Waals Heterostructures.

    PubMed

    Aretouli, Kleopatra Emmanouil; Tsoutsou, Dimitra; Tsipas, Polychronis; Marquez-Velasco, Jose; Aminalragia Giamini, Sigiava; Kelaidis, Nicolaos; Psycharis, Vassilis; Dimoulas, Athanasios

    2016-09-07

    van der Waals heterostructures of 2D semiconductor materials can be used to realize a number of (opto)electronic devices including tunneling field effect devices (TFETs). It is shown in this work that high quality SnSe2/WSe2 vdW heterostructure can be grown by molecular beam epitaxy on AlN(0001)/Si(111) substrates using a Bi2Se3 buffer layer. A valence band offset of 0.8 eV matches the energy gap of SnSe2 in such a way that the VB edge of WSe2 and the CB edge of SnSe2 are lined up, making this materials combination suitable for (nearly) broken gap TFETs.

  16. Nanohole-array-based device for 2D snapshot multispectral imaging.

    PubMed

    Najiminaini, Mohamadreza; Vasefi, Fartash; Kaminska, Bozena; Carson, Jeffrey J L

    2013-01-01

    We present a two-dimensional (2D) snapshot multispectral imager that utilizes the optical transmission characteristics of nanohole arrays (NHAs) in a gold film to resolve a mixture of input colors into multiple spectral bands. The multispectral device consists of blocks of NHAs, wherein each NHA has a unique periodicity that results in transmission resonances and minima in the visible and near-infrared regions. The multispectral device was illuminated over a wide spectral range, and the transmission was spectrally unmixed using a least-squares estimation algorithm. A NHA-based multispectral imaging system was built and tested in both reflection and transmission modes. The NHA-based multispectral imager was capable of extracting 2D multispectral images representative of four independent bands within the spectral range of 662 nm to 832 nm for a variety of targets. The multispectral device can potentially be integrated into a variety of imaging sensor systems.

  17. Improved rovibrational constants for the v7 = 1 state of ethylene-cis-1,2-d2 (cis-C2H2D2) by high-resolution synchrotron FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Ng, L. L.; Gabona, M. G.; Aruchunan, G.; Wong, Andy; Appadoo, Dominique R. T.; McNaughton, Don

    2017-01-01

    Using the far-infrared beamline of the Australian Synchrotron, the spectrum of the ν7 band of ethylene-cis-1,2-d2 (cis-C2H2D2) was recorded in the 640-990 cm-1 region at an unapodized resolution of 0.00096 cm-1. A rovibrational analysis of a total of 2823 infrared transitions of the ν7 band was carried out using an asymmetric rotor fitting program based on the Watson's A-reduced Hamiltonian in the Ir representation to derive up to four sextic constants with a rms deviation of 0.00035 cm-1. From the fitting of 2634 ground state combination differences (GSCDs) of cis-C2H2D2 which were derived from the infrared transitions of the ν7 band of this work, and ν10 and ν12 bands of previous studies, together with 22 microwave frequencies, accurate ground state constants of cis-C2H2D2 up to four sextic terms were obtained. The rotational constants (A, B, and C) of the v7 = 1 state of cis-C2H2D2 were found to agree within 0.5% with the calculated values using B3LYP/cc-pVTZ and MP2/cc-pVTZ levels of theory. From this work, the band center of ν7 at 842.209489(20) cm-1 and the rovibrational constants of the v7 = 1 state of cis-C2H2D2 were determined with better accuracy than previously reported.

  18. Duality Between Spin Networks and the 2D Ising Model

    NASA Astrophysics Data System (ADS)

    Bonzom, Valentin; Costantino, Francesco; Livine, Etera R.

    2016-06-01

    The goal of this paper is to exhibit a deep relation between the partition function of the Ising model on a planar trivalent graph and the generating series of the spin network evaluations on the same graph. We provide respectively a fermionic and a bosonic Gaussian integral formulation for each of these functions and we show that they are the inverse of each other (up to some explicit constants) by exhibiting a supersymmetry relating the two formulations. We investigate three aspects and applications of this duality. First, we propose higher order supersymmetric theories that couple the geometry of the spin networks to the Ising model and for which supersymmetric localization still holds. Secondly, after interpreting the generating function of spin network evaluations as the projection of a coherent state of loop quantum gravity onto the flat connection state, we find the probability distribution induced by that coherent state on the edge spins and study its stationary phase approximation. It is found that the stationary points correspond to the critical values of the couplings of the 2D Ising model, at least for isoradial graphs. Third, we analyze the mapping of the correlations of the Ising model to spin network observables, and describe the phase transition on those observables on the hexagonal lattice. This opens the door to many new possibilities, especially for the study of the coarse-graining and continuum limit of spin networks in the context of quantum gravity.

  19. Ab initio modeling of 2D layered organohalide lead perovskites

    NASA Astrophysics Data System (ADS)

    Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio

    2016-04-01

    A number of 2D layered perovskites A2PbI4 and BPbI4, with A and B mono- and divalent ammonium and imidazolium cations, have been modeled with different theoretical methods. The periodic structures have been optimized (both in monoclinic and in triclinic systems, corresponding to eclipsed and staggered arrangements of the inorganic layers) at the DFT level, with hybrid functionals, Gaussian-type orbitals and dispersion energy corrections. With the same methods, the various contributions to the solid stabilization energy have been discussed, separating electrostatic and dispersion energies, organic-organic intralayer interactions and H-bonding effects, when applicable. Then the electronic band gaps have been computed with plane waves, at the DFT level with scalar and full relativistic potentials, and including the correlation energy through the GW approximation. Spin orbit coupling and GW effects have been combined in an additive scheme, validated by comparing the computed gap with well known experimental and theoretical results for a model system. Finally, various contributions to the computed band gaps have been discussed on some of the studied systems, by varying some geometrical parameters and by substituting one cation in another's place.

  20. Circular photogalvanic effect caused by the transitions between edge and 2D states in a 2D topological insulator

    NASA Astrophysics Data System (ADS)

    Magarill, L. I.; Entin, M. V.

    2016-12-01

    The electron absorption and the edge photocurrent of a 2D topological insulator are studied for transitions between edge states to 2D states. The circular polarized light is found to produce the edge photocurrent, the direction of which is determined by light polarization and edge orientation. It is shown that the edge-state current is found to exceed the 2D current owing to the topological protection of the edge states.

  1. Comparison of 2-D and 3-D estimates of placental volume in early pregnancy.

    PubMed

    Aye, Christina Y L; Stevenson, Gordon N; Impey, Lawrence; Collins, Sally L

    2015-03-01

    Ultrasound estimation of placental volume (PlaV) between 11 and 13 wk has been proposed as part of a screening test for small-for-gestational-age babies. A semi-automated 3-D technique, validated against the gold standard of manual delineation, has been found at this stage of gestation to predict small-for-gestational-age at term. Recently, when used in the third trimester, an estimate obtained using a 2-D technique was found to correlate with placental weight at delivery. Given its greater simplicity, the 2-D technique might be more useful as part of an early screening test. We investigated if the two techniques produced similar results when used in the first trimester. The correlation between PlaV values calculated by the two different techniques was assessed in 139 first-trimester placentas. The agreement on PlaV and derived "standardized placental volume," a dimensionless index correcting for gestational age, was explored with the Mann-Whitney test and Bland-Altman plots. Placentas were categorized into five different shape subtypes, and a subgroup analysis was performed. Agreement was poor for both PlaV and standardized PlaV (p < 0.001 and p < 0.001), with the 2-D technique yielding larger estimates for both indices compared with the 3-D method. The mean difference in standardized PlaV values between the two methods was 0.007 (95% confidence interval: 0.006-0.009). The best agreement was found for regular rectangle-shaped placentas (p = 0.438 and p = 0.408). The poor correlation between the 2-D and 3-D techniques may result from the heterogeneity of placental morphology at this stage of gestation. In early gestation, the simpler 2-D estimates of PlaV do not correlate strongly with those obtained with the validated 3-D technique.

  2. A Novel 2-D OFDM-DS-CDMA Receiver with Frequency-Time Spreading

    NASA Astrophysics Data System (ADS)

    Chen, Joy Iong-Zong

    This paper presents a novel 2-D (2-dimension) receiver that adopts the reception scheme to promote OFDM-DS-CDMA (orthogonal frequency division multiplexing multi-carrier coded-division multiple-access) system performance. The system model includes spread coding and a system block diagram of the 2-D receiver shown graphically with 3-D (three dimensions) plots. The analytical calculation of system performance for an OFDM-DS-CDMA system combined with the proposed receiver equipment is investigated. To evaluate the results from the channel fading effect is considered over the correlated fading environments. The correlated-Nakagami-m statistical distribution is taken into account in the evaluation. The results show that the number of users, the number of subcarriers and the fading channel correlation generally affect OFDM-DS-CDMA systems. The system is also influenced by the Doppler shift and the signal propagation environment (fading parameter).

  3. Isotope-Labeled Amyloids via Synthesis, Expression, and Chemical Ligation for Use in FTIR, 2D IR, and NMR Studies.

    PubMed

    Zhang, Tianqi O; Grechko, Maksim; Moran, Sean D; Zanni, Martin T

    2016-01-01

    This chapter provides protocols for isotope-labeling the human islet amyloid polypeptide (hIAPP or amylin) involved in type II diabetes and γD-crystallin involved in cataract formation. Because isotope labeling improves the structural resolution, these protocols are useful for experiments using Fourier transform infrared (FTIR), two-dimensional infrared (2D IR), and NMR spectroscopies. Our research group specializes in using 2D IR spectroscopy and isotope labeling. 2D IR spectroscopy provides structural information by measuring solvation from 2D diagonal lineshapes and vibrational couplings from cross peaks. Infrared spectroscopy can be used to study kinetics, membrane proteins, and aggregated proteins. Isotope labeling provides greater certainty in the spectral assignment, which enables new structural insights that are difficult to obtain with other methods. For amylin, we provide a protocol for (13)C/(18)O labeling backbone carbonyls at one or more desired amino acids in order to obtain residue-specific structural resolution. We also provide a protocol for expressing and purifying amylin from E. coli, which enables uniform (13)C or (13)C/(15)N labeling. Uniform labeling is useful for measuring the monomer infrared spectrum in an amyloid oligomer or fiber as well as amyloid protein bound to another polypeptide or protein, such as a chaperone or an inhibitor. In addition, our expression protocol results in 2-2.5 mg of amylin peptide per 1 L cell culture, which is a high enough yield to straightforwardly obtain the 2-10 mg needed for high resolution and solid-state NMR experiments. Finally, we provide a protocol to isotope-label either of the two domains of γD-crystallin using expressed protein ligation. Domain labeling makes it possible to resolve the structures of the two halves of the protein in FTIR and 2D IR spectra. With modifications, these strategies and protocols for isotope labeling can be applied to other amyloid polypeptides and proteins.

  4. Analysis of fingerprints features of infrared spectra of various processed products of Rhizoma Coptidis and their different extracts

    NASA Astrophysics Data System (ADS)

    Xu, Beilei; Zhang, Guijun; Xu, Changhua; Sun, Suqin

    2015-09-01

    Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to analyze various processed products and different extracts of Rhizoma Coptidis. There is a shift of the peak of 1641 cm-1 of raw Rhizoma Coptidis after processed, which drifts to lower wave number. Peaks at 1508, 1387, 1363, 1332, 1274 and 1234 cm-1 barely change in most samples, except an obvious enhancement of these peaks after processed, suggesting that processed Rhizoma Coptidis may have higher content of berberine than raw material, which is corresponding to the results of correlation coefficients analysis. There are some differences in the absorption peaks in the range of 1800-1000 cm-1 in the SD-IR spectra, which have better resolution, of different processed products. 2D-IR spectra, which elevate the resolution further, can present more differences among the products in the range of 1300-800 cm-1 and 1800-1300 cm-1. Analysis of aqueous, ethanol and petroleum ether extracts of various processed products proves that there are distinctive differences of all auto-peaks in shapes and intensities in all of them. With the advantages of high resolution, high speed and convenience, FT-IR combined with 2D-IR can quickly and precisely distinguish various processed products of Rhizoma Coptidis and can be applied to predict the tendency of transformation of the complicated chemical mixture systems under heat perturbation.

  5. Energy Efficiency of D2D Multi-User Cooperation.

    PubMed

    Zhang, Zufan; Wang, Lu; Zhang, Jie

    2017-03-28

    The Device-to-Device (D2D) communication system is an important part of heterogeneous networks. It has great potential to improve spectrum efficiency, throughput and energy efficiency cooperation of multiple D2D users with the advantage of direct communication. When cooperating, D2D users expend extraordinary energy to relay data to other D2D users. Hence, the remaining energy of D2D users determines the life of the system. This paper proposes a cooperation scheme for multiple D2D users who reuse the orthogonal spectrum and are interested in the same data by aiming to solve the energy problem of D2D users. Considering both energy availability and the Signal to Noise Ratio (SNR) of each D2D user, the Kuhn-Munkres algorithm is introduced in the cooperation scheme to solve relay selection problems. Thus, the cooperation issue is transformed into a maximum weighted matching (MWM) problem. In order to enhance energy efficiency without the deterioration of Quality of Service (QoS), the link outage probability is derived according to the Shannon Equation by considering the data rate and delay. The simulation studies the relationships among the number of cooperative users, the length of shared data, the number of data packets and energy efficiency.

  6. Integrating Mobile Multimedia into Textbooks: 2D Barcodes

    ERIC Educational Resources Information Center

    Uluyol, Celebi; Agca, R. Kagan

    2012-01-01

    The major goal of this study was to empirically compare text-plus-mobile phone learning using an integrated 2D barcode tag in a printed text with three other conditions described in multimedia learning theory. The method examined in the study involved modifications of the instructional material such that: a 2D barcode was used near the text, the…

  7. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density.

  8. Adaptation algorithms for 2-D feedforward neural networks.

    PubMed

    Kaczorek, T

    1995-01-01

    The generalized weight adaptation algorithms presented by J.G. Kuschewski et al. (1993) and by S.H. Zak and H.J. Sira-Ramirez (1990) are extended for 2-D madaline and 2-D two-layer feedforward neural nets (FNNs).

  9. The strength of heterogeneous volcanic rocks: A 2D approximation

    NASA Astrophysics Data System (ADS)

    Heap, Michael J.; Wadsworth, Fabian B.; Xu, Tao; Chen, Chong-feng; Tang, Chun'an

    2016-06-01

    that published experimental data (for which the porosity and crystal fraction is known) correlate well with our modelled curves, adding validity to our approach. We present herein a 2D analytical tool to estimate the strength of volcanic rock that can be used when the porosity, crystal fraction, and maximum pore diameter are known.

  10. Regulation of ligands for the NKG2D activating receptor

    PubMed Central

    Raulet, David H.; Gasser, Stephan; Gowen, Benjamin G.; Deng, Weiwen; Jung, Heiyoun

    2014-01-01

    NKG2D is an activating receptor expressed by all NK cells and subsets of T cells. It serves as a major recognition receptor for detection and elimination of transformed and infected cells and participates in the genesis of several inflammatory diseases. The ligands for NKG2D are self-proteins that are induced by pathways that are active in certain pathophysiological states. NKG2D ligands are regulated transcriptionally, at the level of mRNA and protein stability, and by cleavage from the cell surface. In some cases, ligand induction can be attributed to pathways that are activated specifically in cancer cells or infected cells. We review the numerous pathways that have been implicated in the regulation of NKG2D ligands, discuss the pathologic states in which those pathways are likely to act, and attempt to synthesize the findings into general schemes of NKG2D ligand regulation in NK cell responses to cancer and infection. PMID:23298206

  11. 2D materials and van der Waals heterostructures.

    PubMed

    Novoselov, K S; Mishchenko, A; Carvalho, A; Castro Neto, A H

    2016-07-29

    The physics of two-dimensional (2D) materials and heterostructures based on such crystals has been developing extremely fast. With these new materials, truly 2D physics has begun to appear (for instance, the absence of long-range order, 2D excitons, commensurate-incommensurate transition, etc.). Novel heterostructure devices--such as tunneling transistors, resonant tunneling diodes, and light-emitting diodes--are also starting to emerge. Composed from individual 2D crystals, such devices use the properties of those materials to create functionalities that are not accessible in other heterostructures. Here we review the properties of novel 2D crystals and examine how their properties are used in new heterostructure devices.

  12. New generation transistor technologies enabled by 2D crystals

    NASA Astrophysics Data System (ADS)

    Jena, D.

    2013-05-01

    The discovery of graphene opened the door to 2D crystal materials. The lack of a bandgap in 2D graphene makes it unsuitable for electronic switching transistors in the conventional field-effect sense, though possible techniques exploiting the unique bandstructure and nanostructures are being explored. The transition metal dichalcogenides have 2D crystal semiconductors, which are well-suited for electronic switching. We experimentally demonstrate field effect transistors with current saturation and carrier inversion made from layered 2D crystal semiconductors such as MoS2, WS2, and the related family. We also evaluate the feasibility of such semiconducting 2D crystals for tunneling field effect transistors for low-power digital logic. The article summarizes the current state of new generation transistor technologies either proposed, or demonstrated, with a commentary on the challenges and prospects moving forward.

  13. Calcium-dependent activation and autolysis of Arabidopsis metacaspase 2d.

    PubMed

    Watanabe, Naohide; Lam, Eric

    2011-03-25

    Metacaspases (MCPs) are members of a new family of cysteine proteases found in plants, fungi, and protozoa that are structurally related to metazoan caspases. Recent studies showed that plant MCPs are arginine/lysine-specific cysteine proteases with caspase-like processing activities in vitro and in vivo, and some of the plant type II MCPs exhibit Ca(2+) dependence for their endopeptidase activity in vitro. However, the mechanisms and biological relevance of Ca(2+) dependence and self-processing of plant MCPs remains unclear. Here we show that recombinant AtMCP2d, the most abundantly expressed member of Arabidopsis type II MCPs at the transcriptional level, exhibits a strict Ca(2+) dependence for its catalytic activation that is apparently mediated by intramolecular self-cleavage mechanism. However, rapid inactivation of AtMCP2d activity concomitant with Ca(2+)-induced self-processing at multiple internal sites was observed. Because active AtMCP2d can cleave its inactive form, intermolecular cleavage (autolysis) of AtMCP2d could also occur under our assay conditions. Ca(2+)-induced self-processing of recombinant AtMCP2d was found to correlate with the sequential appearance of at least six intermediates, including self-cleaved forms, during the proenzyme purification process. Six of these peptides were characterized, and the cleavage sites were mapped through N-terminal protein sequencing. Mutation analysis of AtMCP2d revealed that cleavage after Lys-225, which is a highly conserved residue among the six Arabidopsis type II MCPs, is critical for the catalytic activation by Ca(2+), and we demonstrate that this residue is essential for AtMCP2d activation of H(2)O(2)-induced cell death in yeast. Together, our results provide clues to understand the mode of regulation for this class of proteases.

  14. Correlation of infrared spectra and phase transitions in annealed proton-exchanged MgO doped LiNbO{sub 3}

    SciTech Connect

    Sun, Jian; Xu, Chang-qing

    2015-01-28

    Infrared spectra of OH{sup −} groups in annealed proton-exchanged (APE) 5 mol. % MgO-doped LiNbO{sub 3} (MgO:LiNbO{sub 3}) crystals were studied using the Fourier transform infrared spectroscopy technique. Samples were prepared by benzoic acid proton-exchange followed with thermal annealing in oxygen. Evolutions of absorption peaks in APE MgO:LiNbO{sub 3} crystals were recorded and analyzed. Comparing with none-doped APE LiNbO{sub 3} crystals, a different phase transition behavior was found during thermal annealing. A periodically poled MgO:LiNbO{sub 3} slab waveguide was prepared using identical procedures, and the second harmonic generation (SHG) signals were measured. Comparing the obtained SHG results with the infrared spectra, relationships between the phase transitions and the recovery of second-order nonlinear coefficients during thermal annealing were investigated. Finally, a method for optimizing the performance of MgO:LiNbO{sub 3} waveguides was proposed.

  15. Estrogen-Induced Cholestasis Leads to Repressed CYP2D6 Expression in CYP2D6-Humanized Mice.

    PubMed

    Pan, Xian; Jeong, Hyunyoung

    2015-07-01

    Cholestasis activates bile acid receptor farnesoid X receptor (FXR) and subsequently enhances hepatic expression of small heterodimer partner (SHP). We previously demonstrated that SHP represses the transactivation of cytochrome P450 2D6 (CYP2D6) promoter by hepatocyte nuclear factor (HNF) 4α. In this study, we investigated the effects of estrogen-induced cholestasis on CYP2D6 expression. Estrogen-induced cholestasis occurs in subjects receiving estrogen for contraception or hormone replacement, or in susceptible women during pregnancy. In CYP2D6-humanized transgenic (Tg-CYP2D6) mice, cholestasis triggered by administration of 17α-ethinylestradiol (EE2) at a high dose led to 2- to 3-fold decreases in CYP2D6 expression. This was accompanied by increased hepatic SHP expression and subsequent decreases in the recruitment of HNF4α to CYP2D6 promoter. Interestingly, estrogen-induced cholestasis also led to increased recruitment of estrogen receptor (ER) α, but not that of FXR, to Shp promoter, suggesting a predominant role of ERα in transcriptional regulation of SHP in estrogen-induced cholestasis. EE2 at a low dose (that does not cause cholestasis) also increased SHP (by ∼ 50%) and decreased CYP2D6 expression (by 1.5-fold) in Tg-CYP2D6 mice, the magnitude of differences being much smaller than that shown in EE2-induced cholestasis. Taken together, our data indicate that EE2-induced cholestasis increases SHP and represses CYP2D6 expression in Tg-CYP2D6 mice in part through ERα transactivation of Shp promoter.

  16. Addressable, large-field second harmonic generation microscopy based on 2D acousto-optical deflector and spatial light modulator.

    PubMed

    Shao, Yonghong; Liu, Honghai; Qin, Wan; Qu, Junle; Peng, Xiang; Niu, Hanben; Gao, Bruce Z

    2012-09-01

    We present an addressable, large-field second harmonic generation microscope by combining a 2D acousto-optical deflector with a spatial light modulator. The SLM shapes an incoming mode-locked, near-infrared Ti:Sapphire laser beam into a multifocus array, which can be rapidly scanned by changing the incident angle of the laser beam using a 2D acousto-optical deflector. Compared to the single-beam-scan technique, the multifocus array scan can increase the scanning rate and the field-of-view size with the multi-region imaging ability.

  17. Addressable, large-field second harmonic generation microscopy based on 2D acousto-optical deflector and spatial light modulator

    PubMed Central

    Shao, Yonghong; Liu, Honghai; Qin, Wan; Qu, Junle; Peng, Xiang; Niu, Hanben

    2013-01-01

    We present an addressable, large-field second harmonic generation microscope by combining a 2D acousto-optical deflector with a spatial light modulator. The SLM shapes an incoming mode-locked, near-infrared Ti:Sapphire laser beam into a multifocus array, which can be rapidly scanned by changing the incident angle of the laser beam using a 2D acousto-optical deflector. Compared to the single-beam-scan technique, the multifocus array scan can increase the scanning rate and the field-of-view size with the multi-region imaging ability. PMID:24307756

  18. Immunological Visibility: Posttranscriptional Regulation of Human NKG2D Ligands by the EGF Receptor Pathway

    PubMed Central

    Vantourout, Pierre; Willcox, Carrie; Turner, Andrea; Swanson, Chad; Haque, Yasmin; Sobolev, Olga; Grigoriadis, Anita; Tutt, Andrew; Hayday, Adrian

    2014-01-01

    Human cytolytic T lymphocytes and NK cells can limit tumor growth and are being increasingly harnessed for tumor immunotherapy. One way cytolytic lymphocytes recognize tumor cells is by engagement of their activating receptor, NKG2D, by stress-antigens of the MICA/B and ULBP families. This study shows that surface upregulation of NKG2D ligands by human epithelial cells in response to ultraviolet irradiation, osmotic shock, oxidative stress, and growth factor provision, is attributable to activation of the EGF-receptor (EGFR). EGFR activation causes intracellular re-localisation of AUF1 proteins that ordinarily destabilise NKG2D ligand mRNAs by targeting an AU-rich element conserved within the 3′ ends of most human but not murine NKG2D ligand genes. Consistent with these findings, NKG2D ligand expression by primary human carcinomas positively correlated with EGFR expression that is commonly hyper-activated in such tumours, and was reduced by clinical EGFR inhibitors. Thus, stress-induced activation of EGFR not only regulates cell growth but concomitantly regulates the cells’ immunological visibility. Thus, therapeutics designed to limit cancer cell growth should also be considered in terms of their impact on immunosurveillance. PMID:24718859

  19. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation.

    PubMed

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-09

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  20. Single-scan 2D NMR: An Emerging Tool in Analytical Spectroscopy

    PubMed Central

    Giraudeau, Patrick; Frydman, Lucio

    2016-01-01

    Two-dimensional Nuclear Magnetic Resonance (2D NMR) spectroscopy is widely used in chemical and biochemical analyses. Multidimensional NMR is also witnessing an increased use in quantitative and metabolic screening applications. Conventional 2D NMR experiments, however, are affected by inherently long acquisition durations, arising from their need to sample the frequencies involved along their indirect domains in an incremented, scan-by-scan nature. A decade ago a so-called “ultrafast” (UF) approach was proposed, capable to deliver arbitrary 2D NMR spectra involving any kind of homo- or hetero-nuclear correlations, in a single scan. During the intervening years the performance of this sub-second 2D NMR methodology has been greatly improved, and UF 2D NMR is rapidly becoming a powerful analytical tool witnessing an expanded scope of applications. The present reviews summarizes the principles and the main developments which have contributed to the success of this approach, and focuses on applications which have been recently demonstrated in various areas of analytical chemistry –from the real time monitoring of chemical and biochemical processes, to extensions in hyphenated techniques and in quantitative applications. PMID:25014342

  1. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation

    NASA Astrophysics Data System (ADS)

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-01

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  2. Acute myocarditis with normal wall motion detected with 2D speckle tracking echocardiography

    PubMed Central

    Niel, Johannes; Aichinger, Josef; Ebner, Christian

    2016-01-01

    Summary We present the case of a 26-year-old male with acute tonsillitis who was referred for coronary angiography because of chest pain, elevated cardiac biomarkers, and biphasic T waves. The patient had no cardiovascular risk factors. Echocardiography showed no wall motion abnormalities and no pericardial effusion. 2D speckle tracking revealed distinct decreased regional peak longitudinal systolic strain in the lateral and posterior walls. Ischemic disease was extremely unlikely in view of his young age, negative family history regarding coronary artery disease, and lack of regional wall motion abnormalities on the conventional 2D echocardiogram. Coronary angiography was deferred as myocarditis was suspected. To confirm the diagnosis, cardiac magnetic resonance tomography (MRT) was performed, showing subepicardial delayed hyperenhancement in the lateral and posterior walls correlating closely with the strain pattern obtained by 2D speckle tracking echocardiography. With a working diagnosis of acute myocarditis associated with acute tonsillitis, we prescribed antibiotics and nonsteroidal anti-inflammatory drugs. The patient’s clinical signs resolved along with normalization of serum creatine kinase (CK) levels, and the patient was discharged on the third day after admission. Learning points Acute myocarditis can mimic acute coronary syndromes.Conventional 2D echocardiography lacks specific features for detection of subtle regional wall motion abnormalities.2D speckle tracking expands the scope of echocardiography in identifying myocardial dysfunction derived from edema in acute myocarditis. PMID:27249814

  3. Evaluation of low-dose limits in 3D-2D rigid registration for surgical guidance

    NASA Astrophysics Data System (ADS)

    Uneri, A.; Wang, A. S.; Otake, Y.; Kleinszig, G.; Vogt, S.; Khanna, A. J.; Gallia, G. L.; Gokaslan, Z. L.; Siewerdsen, J. H.

    2014-09-01

    An algorithm for intensity-based 3D-2D registration of CT and C-arm fluoroscopy is evaluated for use in surgical guidance, specifically considering the low-dose limits of the fluoroscopic x-ray projections. The registration method is based on a framework using the covariance matrix adaptation evolution strategy (CMA-ES) to identify the 3D patient pose that maximizes the gradient information similarity metric. Registration performance was evaluated in an anthropomorphic head phantom emulating intracranial neurosurgery, using target registration error (TRE) to characterize accuracy and robustness in terms of 95% confidence upper bound in comparison to that of an infrared surgical tracking system. Three clinical scenarios were considered: (1) single-view image + guidance, wherein a single x-ray projection is used for visualization and 3D-2D guidance; (2) dual-view image + guidance, wherein one projection is acquired for visualization, combined with a second (lower-dose) projection acquired at a different C-arm angle for 3D-2