Rapid trench initiated recrystallization and stagnation in narrow Cu interconnect lines

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

O'Brien, Brendan B.; Rizzolo, Michael; Prestowitz, Luke C.

2015-10-26

Understanding and ultimately controlling the self-annealing of Cu in narrow interconnect lines has remained a top priority in order to continue down-scaling of back-end of the line interconnects. Recently, it was hypothesized that a bottom-up microstructural transformation process in narrow interconnect features competes with the surface-initiated overburden transformation. Here, a set of transmission electron microscopy images which captures the grain coarsening process in 48 nm lines in a time resolved manner is presented, supporting such a process. Grain size measurements taken from these images have demonstrated that the Cu microstructural transformation in 48 nm interconnect lines stagnates after only 1.5 h atmore » room temperature. This stubborn metastable structure remains stagnant, even after aggressive elevated temperature anneals, suggesting that a limited internal energy source such as dislocation content is driving the transformation. As indicated by the extremely low defect density found in 48 nm trenches, a rapid recrystallization process driven by annihilation of defects in the trenches appears to give way to a metastable microstructure in the trenches.« less

Differential Off-line LC-NMR (DOLC-NMR) Metabolomics To Monitor Tyrosine-Induced Metabolome Alterations in Saccharomyces cerevisiae.

PubMed

Hammerl, Richard; Frank, Oliver; Hofmann, Thomas

2017-04-19

A novel differential off-line LC-NMR approach (DOLC-NMR) was developed to capture and quantify nutrient-induced metabolome alterations in Saccharomyces cerevisiae. Off-line coupling of HPLC separation and 1 H NMR spectroscopy supported by automated comparative bucket analyses, followed by quantitative 1 H NMR using ERETIC 2 (electronic reference to access in vivo concentrations), has been successfully used to quantitatively record changes in the metabolome of S. cerevisiae upon intervention with the aromatic amino acid l-tyrosine. Among the 33 metabolites identified, glyceryl succinate, tyrosol acetate, tyrosol lactate, tyrosol succinate, and N-acyl-tyrosine derivatives such as N-(1-oxooctyl)-tyrosine are reported for the first time as yeast metabolites. Depending on the chain length, N-(1-oxooctyl)-, N-(1-oxodecanyl)-, N-(1-oxododecanyl)-, N-(1-oxomyristinyl)-, N-(1-oxopalmityl)-, and N-(1-oxooleoyl)-l-tyrosine imparted a kokumi taste enhancement above their recognition thresholds ranging between 145 and 1432 μmol/L (model broth). Finally, carbon module labeling (CAMOLA) and carbon bond labeling (CABOLA) experiments with 13 C 6 -glucose as the carbon source confirmed the biosynthetic pathway leading to the key metabolites; for example, the aliphatic side chain of N-(1-oxooctyl)-tyrosine could be shown to be generated via de novo fatty acid biosynthesis from four C 2 -carbon modules (acetyl-CoA) originating from glucose.

Microsputterer with integrated ion-drag focusing for additive manufacturing of thin, narrow conductive lines

NASA Astrophysics Data System (ADS)

Kornbluth, Y. S.; Mathews, R. H.; Parameswaran, L.; Racz, L. M.; Velásquez-García, L. F.

2018-04-01

We report the design, modelling, and proof-of-concept demonstration of a continuously fed, atmospheric-pressure microplasma metal sputterer that is capable of printing conductive lines narrower than the width of the target without the need for post-processing or lithographic patterning. Ion drag-induced focusing is harnessed to print narrow lines; the focusing mechanism is modelled via COMSOL Multiphysics simulations and validated with experiments. A microplasma sputter head with gold target is constructed and used to deposit imprints with minimum feature sizes as narrow as 9 µm, roughness as small as 55 nm, and electrical resistivity as low as 1.1 µΩ · m.

The Correlated Variations of {\\rm{C}}\\,{\\rm{IV}} Narrow Absorption Lines and Quasar Continuum

NASA Astrophysics Data System (ADS)

Chen, Zhi-Fu; Pang, Ting-Ting; He, Bing; Huang, Yong

2018-06-01

We assemble 207 variable quasars from the Sloan Digital Sky Survey, all with at least 3 observations, to analyze C IV narrow absorption doublets, and obtain 328 C IV narrow absorption line systems. We find that 19 out of 328 C IV narrow absorption line systems were changed by | {{Δ }}{W}rλ 1548| ≥slant 3{σ }{{Δ }{W}rλ 1548} on timescales from 15.9 to 1477 days at rest-frame. Among the 19 obviously variable C IV systems, we find that (1) 14 systems have relative velocities {\\upsilon }r> 0.01c and 4 systems have {\\upsilon }r> 0.1c, where c is the speed of light; (2) 13 systems are accompanied by other variable C IV systems; (3) 9 systems were changed continuously during multiple observations; and (4) 1 system with {\\upsilon }r = 16,862 km s‑1 was enhanced by {{Δ }}{W}rλ 1548=2.7{σ }{{Δ }{W}rλ 1548} in 0.67 day at rest-frame. The variations of absorption lines are inversely correlated with the changes in the ionizing continuum. We also find that large variations of C IV narrow absorption lines are form differently over a short timescale.

Comprehensive analysis of NMR data using advanced line shape fitting.

PubMed

Niklasson, Markus; Otten, Renee; Ahlner, Alexandra; Andresen, Cecilia; Schlagnitweit, Judith; Petzold, Katja; Lundström, Patrik

2017-10-01

NMR spectroscopy is uniquely suited for atomic resolution studies of biomolecules such as proteins, nucleic acids and metabolites, since detailed information on structure and dynamics are encoded in positions and line shapes of peaks in NMR spectra. Unfortunately, accurate determination of these parameters is often complicated and time consuming, in part due to the need for different software at the various analysis steps and for validating the results. Here, we present an integrated, cross-platform and open-source software that is significantly more versatile than the typical line shape fitting application. The software is a completely redesigned version of PINT ( https://pint-nmr.github.io/PINT/ ). It features a graphical user interface and includes functionality for peak picking, editing of peak lists and line shape fitting. In addition, the obtained peak intensities can be used directly to extract, for instance, relaxation rates, heteronuclear NOE values and exchange parameters. In contrast to most available software the entire process from spectral visualization to preparation of publication-ready figures is done solely using PINT and often within minutes, thereby, increasing productivity for users of all experience levels. Unique to the software are also the outstanding tools for evaluating the quality of the fitting results and extensive, but easy-to-use, customization of the fitting protocol and graphical output. In this communication, we describe the features of the new version of PINT and benchmark its performance.

CHEERS Results from NGC 3393. II. Investigating the Extended Narrow-line Region Using Deep Chandra Observations and Hubble Space Telescope Narrow-line Imaging

NASA Astrophysics Data System (ADS)

Maksym, W. Peter; Fabbiano, Giuseppina; Elvis, Martin; Karovska, Margarita; Paggi, Alessandro; Raymond, John; Wang, Junfeng; Storchi-Bergmann, Thaisa

2017-07-01

The CHandra Extended Emission Line Region Survey (CHEERS) is an X-ray study of nearby active galactic nuclei (AGNs) designed to take full advantage of Chandra's unique angular resolution by spatially resolving feedback signatures and effects. In the second paper of a series on CHEERS target NGC 3393, we examine deep high-resolution Chandra images and compare them with Hubble Space Telescope narrow-line images of [O III], [S II], and Hα, as well as previously unpublished mid-ultraviolet (MUV) images. The X-rays provide unprecedented evidence that the S-shaped arms that envelope the nuclear radio outflows extend only ≲0.″2 (≲50 pc) across. The high-resolution multiwavelength data suggest that the extended narrow-line region is a complex multiphase structure in the circumnuclear interstellar medium (ISM). Its ionization structure is highly stratified with respect to outflow-driven bubbles in the bicone and varies dramatically on scales of ˜10 pc. Multiple findings show likely contributions from shocks to the feedback in regions where radio outflows from the AGN most directly influence the ISM. These findings include Hα evidence for gas compression and extended MUV emission and are in agreement with existing STIS kinematics. Extended filamentary structure in the X-rays and optical suggests the presence of an undetected plasma component, whose existence could be tested with deeper radio observations.

CHEERS Results from NGC 3393. II. Investigating the Extended Narrow-line Region Using Deep Chandra Observations and Hubble Space Telescope Narrow-line Imaging

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

Maksym, W. Peter; Fabbiano, Giuseppina; Elvis, Martin

The CHandra Extended Emission Line Region Survey (CHEERS) is an X-ray study of nearby active galactic nuclei (AGNs) designed to take full advantage of Chandra 's unique angular resolution by spatially resolving feedback signatures and effects. In the second paper of a series on CHEERS target NGC 3393, we examine deep high-resolution Chandra images and compare them with Hubble Space Telescope narrow-line images of [O iii], [S ii], and H α , as well as previously unpublished mid-ultraviolet (MUV) images. The X-rays provide unprecedented evidence that the S-shaped arms that envelope the nuclear radio outflows extend only ≲0.″2 (≲50 pc)more » across. The high-resolution multiwavelength data suggest that the extended narrow-line region is a complex multiphase structure in the circumnuclear interstellar medium (ISM). Its ionization structure is highly stratified with respect to outflow-driven bubbles in the bicone and varies dramatically on scales of ∼10 pc. Multiple findings show likely contributions from shocks to the feedback in regions where radio outflows from the AGN most directly influence the ISM. These findings include H α evidence for gas compression and extended MUV emission and are in agreement with existing STIS kinematics. Extended filamentary structure in the X-rays and optical suggests the presence of an undetected plasma component, whose existence could be tested with deeper radio observations.« less

Phosphorus-31 MRI of bones using quadratic echo line-narrowing

NASA Astrophysics Data System (ADS)

Frey, Merideth; Barrett, Sean; Insogna, Karl; Vanhouten, Joshua

2012-02-01

There is a great need to probe the internal composition of bone on the sub-0.1 mm length scale, both to study normal features and to look for signs of disease. Despite the obvious importance of the mineral fraction to the biomechanical properties of skeletal tissue, few non-destructive techniques are available to evaluate changes in its chemical structure and functional microarchitecture on the interior of bones. MRI would be an excellent candidate, but bone is a particularly challenging tissue to study given the relatively low water density and wider linewidths of its solid components. Recent fundamental research in quantum computing gave rise to a new NMR pulse sequence - the quadratic echo - that can be used to narrow the broad NMR spectrum of solids. This offers a new route to do high spatial resolution, 3D ^31P MRI of bone that complements conventional MRI and x-ray based techniques to study bone physiology and structure. We have used our pulse sequence to do 3D ^31P MRI of ex vivo bones with a spatial resolution of (sub-450 μm)^3, limited only by the specifications of a conventional 4 Tesla liquid-state MRI system. We will describe our plans to push this technique towards the factor of 1000 increase in spatial resolution imposed by fundamental limits.

Narrow Quasar Absorption Lines and the History of the Universe

NASA Astrophysics Data System (ADS)

Liebscher, Dierck-Ekkehard

In order to get an estimation of the parameters of the cosmological model the statistics of narrow absorption lines in quasar spectra is evaluated. To this end a phenomenological model of the evolution of the corresponding absorbers in density, size, number and dimension is presented and compared with the observed evolution in the spectral density of the lines and their column density seen in the equivalent width. In spite of the wide range of possible models, the Einstein-deSitter model is shown to be unlikely because of the implied fast evolution in mass.

Visible and Near-Infrared Spectroscopy of Seyfert 1 and Narrow-Line Seyfert 1 Galaxies

NASA Astrophysics Data System (ADS)

Rodríguez-Ardila, Alberto; Pastoriza, Miriani G.; Donzelli, Carlos J.

2000-01-01

This paper studies the continuum and emission-line properties of a sample composed of 16 normal Seyfert 1 and seven narrow-line Seyfert 1 (NLS1) galaxies using optical and near-IR CCD spectroscopy. The continuum emission of the galaxies can be described in terms of a combination of stellar population, a nonstellar continuum of power-law form, and Fe II emission. A significative difference in the optical spectral index between NLS1's and normal Seyfert 1's is observed; the latter is steeper. Most NLS1's show Fe II/Hβ ratios larger than those observed in the other Seyfert 1's. In the IRAS band, both groups of galaxies have very similar properties. We have searched for the presence of optically thin gas in the broad-line region (BLR) of the galaxies by comparing the broad O I λ8446 and Hα emission-line profiles. Our analysis show that in the NLS1's, both profiles are similar in shape and width. This result contradicts the hypothesis of thin gas emission in the high-velocity part of the BLR to explain the ``narrowness'' of broad optical permitted lines in these objects. Evidence of narrow O I λ8446 emission is found in six galaxies of our sample, implying that this line is not restricted to a pure BLR phenomenon. In the narrow-line region, we find similar luminosities in the permitted and high-ionization lines of NLS1's and normal Seyfert 1's. However, low-ionization lines such as [O I] λ6300, [O II] λ3727, and [S II] λλ6717, 6731 are intrinsically less luminous in NLS1's. Physical properties derived from density- and temperature-sensitive line ratios suggest that the [O II] and [S II] emitting zones are overlapping in normal Seyfert 1's and separated in NLS1's. Based on observations made at CASLEO. Complejo Astronómico El Leoncito (CASLEO) is operated under agreement between the Consejo Nacional de Investigaciones Científicas y técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juán.

NMR Observation of Mobile Protons in Proton-Implanted ZnO Nanorods

PubMed Central

Park, Jun Kue; Kwon, Hyeok-Jung; Lee, Cheol Eui

2016-01-01

The diffusion properties of H+ in ZnO nanorods are investigated before and after 20 MeV proton beam irradiation by using 1H nuclear magnetic resonance (NMR) spectroscopy. Herein, we unambiguously observe that the implanted protons occupy thermally unstable site of ZnO, giving rise to a narrow NMR line at 4.1 ppm. The activation barrier of the implanted protons was found to be 0.46 eV by means of the rotating-frame spin-lattice relaxation measurements, apparently being interstitial hydrogens. High-energy beam irradiation also leads to correlated jump diffusion of the surface hydroxyl group of multiple lines at ~1 ppm, implying the presence of structural disorder at the ZnO surface. PMID:26988733

Extreme gaseous outflows in radio-loud narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Komossa, S.; Xu, D. W.; Wagner, A. Y.

2018-07-01

We present four radio-loud narrow-line Seyfert 1 (NLS1) galaxies with extreme emission-line shifts, indicating radial outflow velocities of the ionized gas of up to 2450 km s-1, above the escape velocity of the host galaxies. The forbidden lines show strong broadening, up to 2270 km s-1. An ionization stratification (higher line shift at higher ionization potential) implies that we see a large-scale outflow rather than single, localized jet-cloud interactions. Similarly, the paucity of zero-velocity [O III] λ5007 emitting gas implies the absence of a second narrow-line region (NLR) component at rest, and therefore a large part of the high-ionization NLR is affected by the outflow. Given the radio loudness of these NLS1 galaxies, the observations are consistent with a pole on view onto their central engines, so that the effects of polar outflows are maximized. In addition, a very efficient driving mechanism is required to reach the high observed velocities. We explore implications from recent hydrodynamic simulations of the interaction between fast winds or jets with the large-scale NLR. Overall, the best agreement with observations (and especially the high outflow speeds of the [Ne V] emitting gas) can be reached if the NLS1 galaxies are relatively young sources with lifetimes not much exceeding 1 Myr. These systems represent sites of strong feedback at NLR scales at work, well below redshift one.

Narrow absorption lines complex I: one form of broad absorption line

NASA Astrophysics Data System (ADS)

Lu, Wei-Jian; Lin, Ying-Ru

2018-03-01

We discover that some of the broad absorption lines (BALs) are actually a complex of narrow absorption lines (NALs). As a pilot study of this type of BAL, we show this discovery through a typical example in this paper. Utilizing the two-epoch observations of J002710.06-094435.3 (hereafter J0027-0944) from the Sloan Digital Sky Survey (SDSS), we find that each of the C IV and Si IV BAL troughs contains at least four NAL doublets. By resolving the Si IV BAL into multiple NALs, we present the following main results and conclusions. First, all these NALs show coordinated variations between the two-epoch SDSS observations, suggesting that they all originate in the quasar outflow, and that their variations are due to global changes in the ionization condition of the absorbing gas. Secondly, a BAL consisting of a number of NAL components indicates that this type of BAL is basically the same as the intrinsic NAL, which tends to support the inclination model rather than the evolution model. Thirdly, although both the C IV and Si IV BALs originate from the same clumpy substructures of the outflow, they show different profile shapes: multiple absorption troughs for the Si IV BAL in a wider velocity range, while P-Cygni for the C IV BAL in a narrower velocity range. This can be interpreted by the substantial differences in fine structure and oscillator strength between the Si IVλλ1393, 1402 and C IVλλ1548, 1551 doublets. Based on the above conclusions, we consider that the decomposition of a BAL into NALs can serve as a way to resolve the clumpy structure for outflows, and it can be used to learn more about characteristics of the clumpy structure and to test the outflow model, when utilizing high-resolution spectra and photoionization model.

Optical Variability of Narrow-line and Broad-line Seyfert 1 Galaxies

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

Rakshit, Suvendu; Stalin, C. S., E-mail: suvenduat@gmail.com

We studied the optical variability (OV) of a large sample of narrow-line Seyfert 1 (NLSy1) and broad-line Seyfert 1 (BLSy1) galaxies with z < 0.8 to investigate any differences in their OV properties. Using archival optical V -band light curves from the Catalina Real Time Transient Survey that span 5–9 years and modeling them using damped random walk, we estimated the amplitude of variability. We found that NLSy1 galaxies as a class show lower amplitude of variability than their broad-line counterparts. In the sample of both NLSy1 and BLSy1 galaxies, radio-loud sources are found to have higher variability amplitude thanmore » radio-quiet sources. Considering only sources that are detected in the X-ray band, NLSy1 galaxies are less optically variable than BLSy1 galaxies. The amplitude of variability in the sample of both NLSy1 and BLSy1 galaxies is found to be anti-correlated with Fe ii strength but correlated with the width of the H β line. The well-known anti-correlation of variability–luminosity and the variability–Eddington ratio is present in our data. Among the radio-loud sample, variability amplitude is found to be correlated with radio-loudness and radio-power, suggesting that jets also play an important role in the OV in radio-loud objects, in addition to the Eddington ratio, which is the main driving factor of OV in radio-quiet sources.« less

Optical Variability of Narrow-line and Broad-line Seyfert 1 Galaxies

NASA Astrophysics Data System (ADS)

Rakshit, Suvendu; Stalin, C. S.

2017-06-01

We studied the optical variability (OV) of a large sample of narrow-line Seyfert 1 (NLSy1) and broad-line Seyfert 1 (BLSy1) galaxies with z < 0.8 to investigate any differences in their OV properties. Using archival optical V-band light curves from the Catalina Real Time Transient Survey that span 5-9 years and modeling them using damped random walk, we estimated the amplitude of variability. We found that NLSy1 galaxies as a class show lower amplitude of variability than their broad-line counterparts. In the sample of both NLSy1 and BLSy1 galaxies, radio-loud sources are found to have higher variability amplitude than radio-quiet sources. Considering only sources that are detected in the X-ray band, NLSy1 galaxies are less optically variable than BLSy1 galaxies. The amplitude of variability in the sample of both NLSy1 and BLSy1 galaxies is found to be anti-correlated with Fe II strength but correlated with the width of the Hβ line. The well-known anti-correlation of variability-luminosity and the variability-Eddington ratio is present in our data. Among the radio-loud sample, variability amplitude is found to be correlated with radio-loudness and radio-power, suggesting that jets also play an important role in the OV in radio-loud objects, in addition to the Eddington ratio, which is the main driving factor of OV in radio-quiet sources.

Dependence of NMR noise line shapes on tuning, matching, and transmission line properties

PubMed Central

Bendet-Taicher, Eli; Müller, Norbert; Jerschow, Alexej

2014-01-01

The tuning and matching conditions of rf circuits, as well as the properties of the transmission lines connecting these to the preamplifier, have direct consequences for NMR probe sensitivity and as for the optimum delivery of rf power to the sample. In addition, tuning/matching conditions influence radiation damping effects, which manifest themselves as fast signal flip-back and line broadening effects, and can lead to concentration-dependent frequency shifts. Previous studies have also shown that the appearance of spin-noise and absorbed circuit noise signals heavily depended on tuning settings. Consequently, all these phenomena are linked together. The mutual connections and interdependences of these effects are highlighted and reviewed here. PMID:25505374

Properties of Narrow line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Rakshit, Suvendu; Stalin, Chelliah Subramonian; Chand, Hum; Zhang, Xue-Guang

2018-04-01

Narrow line Seyfert 1 (NLSy1) galaxies constitute a class of active galactic nuclei characterized by the full width at half maximum (FWHM) of the Hα broad emission line <2000 km s-1 and the flux ratio of [O III] to Hα <3. Their properties are not well understood since only a few NLSy1 galaxies were known earlier. We have studied various properties of NLSy1 galaxies using an enlarged sample and compared them with the conventional broad-line Seyfert 1 (BLSy1) galaxies. Both the sample of sources have z˜ 0.8 and their optical spectra from SDSS-DR12 that are used to derive various physical parameters have a median signal to noise (S/N) ratio >10 pixel-1. A strong correlation between the Hα and Hα emission lines is found both in the FWHM and flux. The nuclear continuum luminosity is found to be strongly correlated with the luminosity of Hα, Hα and [O III] emission lines. The black hole mass in NLSy1 galaxies is lower compared to their broad line counterparts. Compared to BLSy1 galaxies, NLSy1 galaxies have a stronger FeII emission and a higher Eddington ratio that place them in the extreme upper right corner of the R4570 - λEdd diagram. The distribution of the radio-loudness parameter (R) in NLSy1 galaxies drops rapidly at R>10 compared to the BLSy1 galaxies that have powerful radio jets. The soft X-ray photon index in NLSy1 galaxies is on average higher (2.9 ± 0.9) than BLSy1 galaxies (2.4 ± 0.8). It is anti-correlated with the Hα width but correlated with the FeII strength. NLSy1 galaxies on average have a lower amplitude of optical variability compared to their broad lines counterparts. These results suggest Eddington ratio as the main parameter that drives optical variability in these sources.

Separation and analysis of trace degradants in a pharmaceutical formulation using on-line capillary isotachophoresis-NMR.

PubMed

Eldridge, Stacie L; Almeida, Valentino K; Korir, Albert K; Larive, Cynthia K

2007-11-15

NMR spectroscopy is widely used in the pharmaceutical industry for the structure elucidation of pharmaceutical impurities, especially when coupled to a separation method, such as HPLC. However, NMR has relatively poor sensitivity compared with other techniques such as mass spectrometry, limiting its applicability in impurity analyses. This limitation is addressed here through the on-line coupling of microcoil NMR with capillary isotachophoresis (cITP), a separation method that can concentrate dilute components by 2-3 orders of magnitude. With this approach, 1H NMR spectra can be acquired for microgram (nanomole) quantities of trace impurities in a complex sample matrix. cITP-NMR was used in this work to isolate and detect 4-aminophenol (PAP) in an acetaminophen sample spiked at the 0.1% level, with no interference from the parent compound. Analysis of an acetaminophen thermal degradation sample revealed resonances of several degradation products in addition to PAP, confirming the effectiveness of on-line cITP-NMR for trace analyses of pharmaceutical formulations. Subsequent LC-MS/MS analysis provided complementary information for the structure elucidation of the unknown degradation products, which were dimers formed during the degradation process.

Are Narrow Line Seyfert 1 Galaxies Viewed Pole-on?

DTIC Science & Technology

2011-04-01

0.2’’ respectively. Figure 1 displays the position of each slit over a Barbosa et al. (2009) GMOS IFU image of the [S III] flux (which originates...C. Winge, H. Schmitt: Gemini/ GMOS IFU gas velocity ’tomography’ of the narrow line region of nearby active galaxies, MNRAS, 396 (2009) 2. [2] D...1995) 81. 4 P o S ( N L S 1 ) 0 5 0 Are NLS1s Pole-on? Travis C. Fischer 5 Figure 1: NGC 4051 GMOS IFU image showing integrated [SIII] flux

Narrow-line region kinematics in Seyfert nuclei

NASA Astrophysics Data System (ADS)

Moore, David J.

1994-01-01

We present results of a study of narrow-line region (NLR) kinematics in Seyfert nuclei. This study has involved extensive modeling which includes collimated emission, radially dependent rotation and turbulence, explicit photoionization calculations, realistic treatments of both internal and external obscuration, and allows for gradients in the electron density and the radial velocity of clouds throughout the NLR. Line profiles of (O II) lambda 3727, (Ne III) lambda 3869, (O III) lambda 5007, (Fe VII) lambda 6087, (Fe X) lambda 6374, (O I) lambda 6300, H alpha lambda 6563, and (S II) lambda 6731 are calculated for a wide range of physical conditions throughout the NLR. The model profiles are compared with line profiles derived from data taken with the Mount Palomar 5 m Hale Telescope as well as from profiles taken from the literature. The scenario in agreement with the largest of observational considerations consists of clouds which are accelerating outward with v varies as square root of r (i.e., constant force) and ne varies as 1/r2. The cloud start out at the inner NLR radium with ne approximately equal to 106/cu cm and with a very large column density (1023 - 10(exp 24/sq cm). These clouds are uniformly accelerated from a few tens of km/sec to approximately less than 1,000 km/sec. When the clouds reached the outer NLR radius, they have ne approximately greater than 102/cu cm and a column density of 1021-1022/sq cm. The clouds maintain an ionization parameter of about 0.3 throughout the NLR.

A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy.

PubMed

Sans, Victor; Porwol, Luzian; Dragone, Vincenza; Cronin, Leroy

2015-02-01

A configurable platform for synthetic chemistry incorporating an in-line benchtop NMR that is capable of monitoring and controlling organic reactions in real-time is presented. The platform is controlled via a modular LabView software control system for the hardware, NMR, data analysis and feedback optimization. Using this platform we report the real-time advanced structural characterization of reaction mixtures, including 19 F, 13 C, DEPT, 2D NMR spectroscopy (COSY, HSQC and 19 F-COSY) for the first time. Finally, the potential of this technique is demonstrated through the optimization of a catalytic organic reaction in real-time, showing its applicability to self-optimizing systems using criteria such as stereoselectivity, multi-nuclear measurements or 2D correlations.

DOUBLE-PEAKED NARROW-LINE ACTIVE GALACTIC NUCLEI. II. THE CASE OF EQUAL PEAKS

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

Smith, K. L.; Shields, G. A.; Salviander, S.

Active galactic nuclei (AGNs) with double-peaked narrow lines (DPAGNs) may be caused by kiloparsec-scale binary AGNs, bipolar outflows, or rotating gaseous disks. We examine the class of DPAGNs in which the two narrow-line components have closely similar intensity as being especially likely to involve disks or jets. Two spectroscopic indicators support this likelihood. For DPAGNs from Smith et al., the 'equal-peaked' objects (EPAGNs) have [Ne V]/[O III]ratios lower than for a control sample of non-double-peaked AGNs. This is unexpected for a pair of normal AGNs in a galactic merger, but may be consistent with [O III] emission from a rotatingmore » ring with relatively little gas at small radii. Also, [O III]/H{beta} ratios of the redshifted and blueshifted systems in the EPAGN are more similar to each other than in a control sample, suggestive of a single ionizing source and inconsistent with the binary interpretation.« less

NARROW-LINE X-RAY-SELECTED GALAXIES IN THE CHANDRA -COSMOS FIELD. I. OPTICAL SPECTROSCOPIC CATALOG

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

Pons, E.; Watson, M. G.; Elvis, M.

2016-04-20

The COSMOS survey is a large and deep survey with multiwavelength observations of sources from X-rays to the UV, allowing an extensive study of their properties. The central 0.9 deg{sup 2} of the COSMOS field have been observed by Chandra with a sensitivity up to 1.9 × 10{sup −16} erg cm{sup −2} s{sup −1} in the full (0.5–10 keV) band. Photometric and spectroscopic identification of the Chandra -COSMOS (C-COSMOS) sources is available from several catalogs and campaigns. Despite the fact that the C-COSMOS galaxies have a reliable spectroscopic redshift in addition to a spectroscopic classification, the emission-line properties of thismore » sample have not yet been measured. We present here the creation of an emission-line catalog of 453 narrow-line sources from the C-COSMOS spectroscopic sample. We have performed spectral fitting for the more common lines in galaxies ([O ii] λ 3727, [Ne iii] λ 3869, H β , [O iii] λλ 4959, 5007, H α , and [N ii] λλ 6548, 6584). These data provide an optical classification for 151 (i.e., 33%) of the C-COSMOS narrow-line galaxies based on emission-line diagnostic diagrams.« less

Development of stable, narrow spectral line-width, fiber delivered laser source for spin exchange optical pumping

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

Liu, Bo; Tong, Xin; Jiang, Chenyang

2015-06-05

In this study, we developed a stable, narrow spectral line-width, fiber delivered laser source for spin exchange optical pumping. An optimized external cavity equipped with an off-the-shelf volume holographic grating narrowed the spectral line-width of a 100 W high-power diode laser and stabilized the laser spectrum. The laser spectrum showed a high side mode suppression ratio of >30 dB and good long-term stability (center wavelength drifting within ±0.002 nm during 220 h of operation). Finally, our laser is delivered by a multimode fiber with power ~70 W, center wavelength of 794.77 nm, and spectral bandwidth of ~0.12 nm.

NMR logging apparatus

DOEpatents

Walsh, David O; Turner, Peter

2014-05-27

Technologies including NMR logging apparatus and methods are disclosed. Example NMR logging apparatus may include surface instrumentation and one or more downhole probes configured to fit within an earth borehole. The surface instrumentation may comprise a power amplifier, which may be coupled to the downhole probes via one or more transmission lines, and a controller configured to cause the power amplifier to generate a NMR activating pulse or sequence of pulses. Impedance matching means may be configured to match an output impedance of the power amplifier through a transmission line to a load impedance of a downhole probe. Methods may include deploying the various elements of disclosed NMR logging apparatus and using the apparatus to perform NMR measurements.

Non-Linear Signal Detection Improvement by Radiation Damping in Single-Pulse NMR Spectra

PubMed Central

Schlagnitweit, Judith; Morgan, Steven W; Nausner, Martin; Müller, Norbert; Desvaux, Hervé

2012-01-01

When NMR lines overlap and at least one of them is affected by radiation damping, the resonance line shapes of all lines are no longer Lorentzian. We report the appearance of narrow signal distortions, which resemble hole-burnt spectra. This new experimental phenomenon facilitates the detection of tiny signals hidden below the main resonance. Theoretical analysis based on modified Maxwell–Bloch equations shows that the presence of strong transverse magnetization creates a feedback through the coil, which influences the magnetization of all spins with overlapping resonance lines. In the time domain this leads to cross-precession terms between magnetization densities, which ultimately cause non-linear behavior. Numerical simulations corroborate this interpretation. PMID:22266720

The Suzaku Observation of NGC 3516: Complex Absorption and the Broad and Narrow Fe K Lines

NASA Technical Reports Server (NTRS)

Markowitz, Alex; Reeves, James N.; Miniutti, Giovanni; Serlemitsos, Peter; Kunieda, Hideyo; Taqoob, Tahir; Fabian, Andrew C.; Fukazawa, Yasushi; Mushotzky, Richard; Okajima, Takashi;

Towards Using NMR to Screen for Spoiled Tomatoes Stored in 1,000 L, Aseptically Sealed, Metal-Lined Totes

PubMed Central

Pinter, Michael D.; Harter, Tod; McCarthy, Michael J.; Augustine, Matthew P.

2014-01-01

Nuclear magnetic resonance (NMR) spectroscopy is used to track factory relevant tomato paste spoilage. It was found that spoilage in tomato paste test samples leads to longer spin lattice relaxation times T1 using a conventional low magnetic field NMR system. The increase in T1 value for contaminated samples over a five day room temperature exposure period prompted the work to be extended to the study of industry standard, 1,000 L, non-ferrous, metal-lined totes. NMR signals and T1 values were recovered from a large format container with a single-sided NMR sensor. The results of this work suggest that a handheld NMR device can be used to study tomato paste spoilage in factory process environments. PMID:24594611

Towards using NMR to screen for spoiled tomatoes stored in 1,000 L, aseptically sealed, metal-lined totes.

PubMed

Pinter, Michael D; Harter, Tod; McCarthy, Michael J; Augustine, Matthew P

2014-03-03

Nuclear magnetic resonance (NMR) spectroscopy is used to track factory relevant tomato paste spoilage. It was found that spoilage in tomato paste test samples leads to longer spin lattice relaxation times T1 using a conventional low magnetic field NMR system. The increase in T1 value for contaminated samples over a five day room temperature exposure period prompted the work to be extended to the study of industry standard, 1,000 L, non-ferrous, metal-lined totes. NMR signals and T1 values were recovered from a large format container with a single-sided NMR sensor. The results of this work suggest that a handheld NMR device can be used to study tomato paste spoilage in factory process environments.

PCF based high power narrow line width pulsed fiber laser

NASA Astrophysics Data System (ADS)

Chen, H.; Yan, P.; Xiao, Q.; Wang, Y.; Gong, M.

2012-09-01

Based on semiconductor diode seeded multi-stage cascaded fiber amplifiers, we have obtained 88-W average power of a 1063-nm laser with high repetition rate of up to 1.5 MHz and a constant 2-ns pulse duration. No stimulated Brillouin scattering pulse or optical damage occurred although the maximum pulse peak power has exceeded 112 kW. The output laser exhibits excellent beam quality (M2x = 1.24 and M2y = 1.18), associated with a spectral line width as narrow as 0.065 nm (FWHM). Additionally, we demonstrate high polarization extinction ratio of 18.4 dB and good pulse stabilities superior to 1.6 % (RMS).

NARROW-LINE-WIDTH UV BURSTS IN THE TRANSITION REGION ABOVE SUNSPOTS OBSERVED BY IRIS

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

Hou, Zhenyong; Huang, Zhenghua; Xia, Lidong

Various small-scale structures abound in the solar atmosphere above active regions, playing an important role in the dynamics and evolution therein. We report on a new class of small-scale transition region structures in active regions, characterized by strong emissions but extremely narrow Si iv line profiles as found in observations taken with the Interface Region Imaging Spectrograph (IRIS). Tentatively named as narrow-line-width UV bursts (NUBs), these structures are located above sunspots and comprise one or multiple compact bright cores at sub-arcsecond scales. We found six NUBs in two data sets (a raster and a sit-and-stare data set). Among these, fourmore » events are short-lived with a duration of ∼10 minutes, while two last for more than 36 minutes. All NUBs have Doppler shifts of 15–18 km s{sup −1}, while the NUB found in sit-and-stare data possesses an additional component at ∼50 km s{sup −1} found only in the C ii and Mg ii lines. Given that these events are found to play a role in the local dynamics, it is important to further investigate the physical mechanisms that generate these phenomena and their role in the mass transport in sunspots.« less

An Extreme, Blueshifted Iron Line in the Narrow Line Seyfert 1 PG 1402+261

NASA Technical Reports Server (NTRS)

Reeves, J. N.; Porquet, D.; Turner, T. J.

2004-01-01

We report on a short, XMM-Newton observation of the radio-quiet Narrow Line Seyfert 1 PG 1402+261. The EPIC X-ray spectrum of PG 1402+261 shows a strong excess of counts between 6 - 9 keV in the rest frame. This feature can be modeled by an unusually strong (equivalent width 2 keV) and very broad energy at 7.3 keV appears blue-shifted with respect to the iron Kalpha emission band between 6.4 - 6.97 keV, whilst the blue-wing of the line extends to 9 keV in the quasar rest frame. The line profile can be fitted by reflection from the inner accretion disk, but an inclination angle of greater than 60 degrees is required to model the extreme blue-wing of the line. Furthermore the extreme strength of the line requires a geometry whereby the hard X-ray emission from PG1402+261 above 2 keV is dominated by the pure-reflection component from the disk, whilst little or none of the direct hard power-law is observed. Alternatively the spectrum above 2 keV may instead be explained by an ionized absorber, if the column density is sufficiently high (NH greater than 3 x 10(exp 23) per square centimeter) and if the matter is ionized enough to produce a deep (tau approximately equal to 1) iron K-shell absorption edge at 9 keV. This absorber could originate in a large column density, high velocity outflow, perhaps similar to those which appear to be observed in several other high accretion rate AGN. Further observations, especially at higher spectral resolution, are required to distinguish between the accretion disk reflection or outflow scenarios.

Constraining the variation of the fine-structure constant with observations of narrow quasar absorption lines

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

Songaila, A.; Cowie, L. L., E-mail: acowie@ifa.hawaii.edu

2014-10-01

The unequivocal demonstration of temporal or spatial variability in a fundamental constant of nature would be of enormous significance. Recent attempts to measure the variability of the fine-structure constant α over cosmological time, using high-resolution spectra of high-redshift quasars observed with 10 m class telescopes, have produced conflicting results. We use the many multiplet (MM) method with Mg II and Fe II lines on very high signal-to-noise, high-resolution (R = 72, 000) Keck HIRES spectra of eight narrow quasar absorption systems. We consider both systematic uncertainties in spectrograph wavelength calibration and also velocity offsets introduced by complex velocity structure inmore » even apparently simple and weak narrow lines and analyze their effect on claimed variations in α. We find no significant change in α, Δα/α = (0.43 ± 0.34) × 10{sup –5}, in the redshift range z = 0.7-1.5, where this includes both statistical and systematic errors. We also show that the scatter in measurements of Δα/α arising from absorption line structure can be considerably larger than assigned statistical errors even for apparently simple and narrow absorption systems. We find a null result of Δα/α = (– 0.59 ± 0.55) × 10{sup –5} in a system at z = 1.7382 using lines of Cr II, Zn II, and Mn II, whereas using Cr II and Zn II lines in a system at z = 1.6614 we find a systematic velocity trend that, if interpreted as a shift in α, would correspond to Δα/α = (1.88 ± 0.47) × 10{sup –5}, where both results include both statistical and systematic errors. This latter result is almost certainly caused by varying ionic abundances in subcomponents of the line: using Mn II, Ni II, and Cr II in the analysis changes the result to Δα/α = (– 0.47 ± 0.53) × 10{sup –5}. Combining the Mg II and Fe II results with estimates based on Mn II, Ni II, and Cr II gives Δα/α = (– 0.01 ± 0.26) × 10{sup –5}. We conclude that spectroscopic measurements

The X-ray spectrum and time variability of narrow emission line galaxies

NASA Technical Reports Server (NTRS)

Mushotzky, R.

1981-01-01

X-ray spectral and temporal observations are reported for six narrow emission line galaxies (NELGs), all of which are fitted by power-law X-ray spectra of energy slope 0.8 and have column densities in the line of sight greater than 1 x 10 to the 22nd atoms/sq cm. Three of the objects, NGC 526a, NGC 2110 and MCG-5-23-16 are variable in their X-ray flux, and the latter two, along with NGC 5506 and NGC 7582, showed detectable variability in at least one observation. The measured X-ray properties of these NELGs, which also included NGC 2992, strongly resemble those of previously-measured type 1 Seyferts of the same X-ray luminosity and lead to the conclusion of great similarity between the NELGs and low-luminosity type 1 Seyferts. The implications of these observations for the optical line-emitting region structure of these galaxies are discussed.

Magnetic polarons in antiferromagnetic CaMnO3-x (x<0.01) probed by O17 NMR

NASA Astrophysics Data System (ADS)

Trokiner, A.; Verkhovskii, S.; Yakubovskii, A.; Gerashenko, A.; Monod, P.; Kumagai, K.; Mikhalev, K.; Buzlukov, A.; Litvinova, Z.; Gorbenko, O.; Kaul, A.; Kartavtzeva, M.

2009-06-01

We study with O17 NMR and bulk magnetization a lightly electron doped CaMnO3-x (x<0.01) polycrystalline sample in the G -type antiferromagnetic state. The O17 NMR spectra show two lines with very different intensities corresponding to oxygen sites with very different local magnetic environments. The more intense unshifted line is due to the antiferromagnetic (AF) matrix. The thermal dependence of the magnetic moment of the AF sublattice deduced from the O17 linewidth is typical of insulating three-dimensional Heisenberg antiferromagnets. The less intense, strongly shifted line directly evidences the existence of ferromagnetic (FM) domains embedded in the AF spin lattice. The extremely narrow line in zero magnetic field indicates a nearly perfect alignment of the manganese spins in the FM domains which also display an unusually weak temperature dependence of their magnetic moment. We show that these FM entities start to move above 40 K in a slow-diffusion regime. These static and dynamic properties bear a strong similarity with those of a small size self-trapped magnetic polaron.

Ein statistisches Modell zum Einfluß der thermischen Bewegung auf NMR-Festkörperspektren

NASA Astrophysics Data System (ADS)

Ploss, W.; Freude, D.; Pfeifer, H.; Schmiedel, H.

Es wird ein statistisches Modell zum Einfluß der thermischen Bewegung auf die NMR-Linienform vorgestellt, das die Verschmälerung von Festkörper-Spektren bei wachsender Temperatur beschreibt. Das Modell geht von der Annahme aus, daß nach einer Ortsveränderung eines Kerns infolge thermischer Bewegung jede beliebige Kernresonanzfrequenz mit der durch das Festkörperspektrum vorgegebenen Wahrscheinlichkeit angenommen werden kann. Am Beispiel der Festkörper-Gaußlinie wird der Unterschied zu dem bekannten Modell von ANDERSON und WEISS verdeutlicht.Translated AbstractA Statistical Model for the Influence of Thermal Motion on N. M. R. Spectra in SolidsA theory is proposed which allows to describe the narrowing of n. m. r.-line width in the presence of thermal motions of the spins. The model is based on the assumption, that the local resonance frequency of a given spin immediately after the jump is distributed according to the n. m. r.-line shape of the rigid lattice. The difference to the well-known ANDERSON-WEISS-model of spectral narrowing is demonstrated for a gaussian line shape.

NMR and transport measurements of copper chalcogenide and clathrate compounds

NASA Astrophysics Data System (ADS)

Sirusi Arvij, Ali

Due to limited sources of fossil fuels worldwide and a large percentage wasted as heat energy, searching for efficient thermoelectric materials to convert heat to electricity has gained a great deal of attention. Most of the attempts are focused on materials with substantially lower lattice thermal conductivity and narrow band gaps. Among them, inorganic clathrates and copper-based chalcogenides possess intrinsic low thermal conductivity which makes them promising thermoelectrics. In this work, nuclear magnetic resonance (NMR), transport, and magnetic measurements were performed on clathrates and copper-based chalcogenides to investigate their vibrational and electronic charge carrier properties, as well as the unknown structures of Cu2Se and Cu 2Te at low temperatures, and the effect of rattling of guest atoms in the clathrates. The NMR results in Ba8Ga16Ge30 indicate a pseudogap in the Ga electronic density of states, superposed upon a surprisingly large Ba contribution to the conduction band. Meanwhile, the phonon contributions to the Ga relaxation rates are large and increase more rapidly with temperature than typical semiconductors due to enhanced anharmonicity of the propagative phonon modes over a wide range. Moreover, the observed NMR shifts in the Ba8Cu5Si xGe41-x clathrates change in a nonlinear way with increasing Si substitution: from x = 0 to about 20 the shifts are essentially constant, while approaching x = 41 they increase rapidly, demonstrating a significant change in hybridizations vs Si substitution. NMR studies of Cu2Se show an initial appearance of ionic hopping in a narrow temperature range above 100 K, coinciding with the recently observed low-temperature phase transition. At room temperature and above, this goes over to rapid Cu-ion hopping and a single motionally narrowed line both above and below the alpha-beta structural transition. Furthermore, the NMR results on Cu2Te and Cu 1.98Ag0.2Te demonstrate unusually large negative chemical

Accumulation of ammonium in Norway spruce (Picea abies) seedlings measured by in vivo 14N-NMR.

PubMed

Aarnes, H; Eriksen, A B; Petersen, D; Rise, F

2007-01-01

(14)N-NMR and (31)P-NMR have been used to monitor the in vivo pH in roots, stems, and needles from seedlings of Norway spruce, a typical ammonium-tolerant plant. The vacuolar and cytoplasmic pH measured by (31)P-NMR was found to be c. pH 4.8 and 7.0, respectively, with no significant difference between plants growing with ammonium or nitrate as the N-source. The (1)H-coupled (14) NH 4+ resonance is pH-sensitive: at alkaline pH it is a narrow singlet line and below pH 4 it is an increasing multiplet line with five signals. The pH values in ammonium-containing compartments measured by (14)N-NMR ranged from 3.7 to 3.9, notably lower than the estimated pH values of the P(i) pools. This suggests that, in seedlings of Norway spruce, ammonium is stored in vacuoles with low pH possibly to protect the seedlings against the toxic effects of ammonium ( NH 4+) or ammonia (NH3). It was also found that concentrations of malate were 3-6 times higher in stems than in roots and needles, with nitrate-grown plants containing more malate than plants grown with ammonium.

Narrow line width dual wavelength semiconductor optical amplifier based random fiber laser

NASA Astrophysics Data System (ADS)

Shawki, Heba A.; Kotb, Hussein E.; Khalil, Diaa

2018-02-01

A novel narrow line-width Single longitudinal mode (SLM) dual wavelength random fiber laser of 20 nm separation between wavelengths of 1530 and 1550 nm is presented. The laser is based on Rayleigh backscattering in a standard single mode fiber of 2 Km length as distributed mirrors, and a semiconductor optical amplifier (SOA) as the optical amplification medium. Two optical bandpass filters are used for the two wavelengths selectivity, and two Faraday Rotator mirrors are used to stabilize the two lasing wavelengths against fiber random birefringence. The optical signal to noise ratio (OSNR) was measured to be 38 dB. The line-width of the laser was measured to be 13.3 and 14 KHz at 1530 and 1550 nm respectively, at SOA pump current of 370 mA.

Two Active States of the Narrow-Line Gamma-Ray-Loud AGN GB 1310 + 487

NASA Technical Reports Server (NTRS)

Sokolovsky, K. V.; Schinzel, F. K.; Tanaka, Y. T.; Abolmasov, P. K.; Angelakis, E.; Bulgarelli, A.; Carrasco, L.; Cenko, S. B.; Cheung, C. C.; Clubb, K. I.;

Two active states of the narrow-line gamma-ray-loud AGN GB 1310+487

DOE PAGES

Sokolovsky, K. V.

2014-04-28

Context. Previously unremarkable, the extragalactic radio source GB1310+487 showed a γ-ray flare on 2009 November 18, reaching a daily flux of ~ 10 -6 photons cm -2 s -1 at energies E > 100MeV and became one of the brightest GeV sources for about two weeks. Its optical spectrum shows strong forbidden-line emission while lacking broad permitted lines, which is not typical for a blazar. Instead, the spectrum resembles those of narrow emission-line galaxies. Aims. We investigate changes in the object’s radio-to-GeV spectral energy distribution (SED) during and after the prominent γ-ray flare with the aim of determining the naturemore » of the object and of constraining the origin of the variable high-energy emission. Methods. The data collected by the Fermi and AGILE satellites at γ-ray energies; Swift at X-ray and ultraviolet (UV); the Kanata, NOT, and Keck telescopes at optical; OAGH andWISE at infrared (IR); and IRAM30m, OVRO 40m, Effelsberg 100m, RATAN-600, and VLBA at radio are analyzed together to trace the SED evolution on timescales of months. Results. The γ-ray/radio-loud narrow-line active galactic nucleus (AGN) is located at redshift z = 0.638. It shines through an unrelated foreground galaxy at z = 0.500. The AGN light is probably amplified by gravitational lensing. The AGN SED shows a two-humped structure typical of blazars and γ-ray-loud narrow-line Seyfert 1 galaxies, with the high-energy (inverse-Compton) emission dominating by more than an order of magnitude over the low-energy (synchrotron) emission during γ-ray flares. The difference between the two SED humps is smaller during the low-activity state. Fermi observations reveal a strong correlation between the γ-ray flux and spectral index, with the hardest spectrum observed during the brightest γ-ray state. The γ-ray flares occurred before and during a slow rising trend in the radio, but no direct association between γ-ray and radio flares could be established. Conclusions. If the �

Improved Characterization of Healthy and Malignant Tissue by NMR Line-Shape Relaxation Correlations

PubMed Central

Peemoeller, H.; Shenoy, R.K.; Pintar, M.M.; Kydon, D.W.; Inch, W.R.

1982-01-01

We performed a relaxation-line-shape correlation NMR experiment on muscle, liver, kidney, and spleen tissues of healthy mice and of mouse tumor tissue. In each tissue studied, five spin groups were resolved and characterized by their relaxation parameters. We report a previously uncharacterized semi-solid spin group and discuss briefly the value of this method for the identification of malignant tissues. PMID:7104438

SPECTRAL OPTICAL MONITORING OF THE NARROW-LINE SEYFERT 1 GALAXY Ark 564

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

Shapovalova, A. I.; Burenkov, A. N.; Popovic, L. C.

2012-09-15

We present the results of a long-term (1999-2010) spectral optical monitoring campaign of the active galactic nucleus (AGN) Ark 564, which shows a strong Fe II line emission in the optical. This AGN is a narrow-line Seyfert 1 (NLS1) galaxy, a group of AGNs with specific spectral characteristics. We analyze the light curves of the permitted H{alpha}, H{beta}, optical Fe II line fluxes, and the continuum flux in order to search for a time lag between them. Additionally, in order to estimate the contribution of iron lines from different multiplets, we fit the H{beta} and Fe II lines with amore » sum of Gaussian components. We find that during the monitoring period the spectral variation (F{sub max}/F{sub min}) of Ark 564 is between 1.5 for H{alpha} and 1.8 for the Fe II lines. The correlation between the Fe II and H{beta} flux variations is of higher significance than that of H{alpha} and H{beta} (whose correlation is almost absent). The permitted-line profiles are Lorentzian-like and do not change shape during the monitoring period. We investigate, in detail, the optical Fe II emission and find different degrees of correlation between the Fe II emission arising from different spectral multiplets and the continuum flux. The relatively weak and different degrees of correlations between permitted lines and continuum fluxes indicate a rather complex source of ionization of the broad-line emission region.« less

A spectroscopic analysis of a sample of narrow-line Seyfert 1 galaxies selected from the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Cracco, V.; Ciroi, S.; Berton, M.; Di Mille, F.; Foschini, L.; La Mura, G.; Rafanelli, P.

2016-10-01

We revisited the spectroscopic characteristics of narrow-line Seyfert 1 galaxies (NLS1s) by analysing a homogeneous sample of 296 NLS1s at redshift between 0.028 and 0.345, extracted from the Sloan Digital Sky Survey (SDSS-DR7) public archive. We confirm that NLS1s are mostly characterized by Balmer lines with Lorentzian profiles, lower black hole masses and higher Eddington ratios than classic broad-line Seyfert 1 (BLS1s), but they also appear to be active galactic nuclei (AGNs) contiguous with BLS1s and sharing with them common properties. Strong Fe II emission does not seem to be a distinctive property of NLS1s, as low values of Fe II/Hβ are equally observed in these AGNs. Our data indicate that Fe II and Ca II kinematics are consistent with the one of Hβ. On the contrary, O I λ8446 seems to be systematically narrower and it is likely emitted by gas of the broad-line region more distant from the ionizing source and showing different physical properties. Finally, almost all NLS1s of our sample show radial motions of the narrow-line region highly ionized gas. The mechanism responsible for this effect is not yet clear, but there are hints that very fast outflows require high continuum luminosities (>1044 erg s-1) or high Eddington ratios (log (Lbol/LEdd) > -0.1).

PHL 1092: A narrow-line quasar emerging from the darkness

NASA Astrophysics Data System (ADS)

Gallo, Luigi

2013-10-01

The radio quiet, narrow line quasar, PHL1092 exhibits the extreme behaviour associated with 1H0707 and IRAS13224, but at a high redshift (z=0.396) and with high luminosity (~10^45 erg/s). From a short, bright state observation of PHL1092 we discovered a super soft excess, possible relativistically broadened FeL and K emission, high radiative efficiency, and possible high velocity outflow. Follow up observations between 2008-10 caught the quasar in a deep minimum that could be attributed to disruption of the corona. We will monitor PHL1092 with Swift to catch the quasar emerging from its current low-flux state so that we can study the bright state of the AGN with a triggered 130ks XMM observation.

Extreme Gaseous Outflows in Radio-Loud Narrow-Line Seyfert 1 Galaxies

NASA Astrophysics Data System (ADS)

Komossa, S.; Xu, D. W.; Wagner, A. Y.

2018-04-01

We present four radio-loud NLS1 galaxies with extreme emission-line shifts, indicating radial outflow velocities of the ionized gas of up to 2450 km/s, above the escape velocity of the host galaxies. The forbidden lines show strong broadening, up to 2270 km/s. An ionization stratification (higher line shift at higher ionization potential) implies that we see a large-scale outflow rather than single, localized jet-cloud interactions. Similarly, the paucity of zero-velocity [OIII]λ5007 emitting gas implies the absence of a second narrow-line region (NLR) component at rest, and therefore a large part of the high-ionization NLR is affected by the outflow. Given the radio loudness of these NLS1 galaxies, the observations are consistent with a pole on view onto their central engines, so that the effects of polar outflows are maximized. In addition, a very efficient driving mechanism is required, to reach the high observed velocities. We explore implications from recent hydrodynamic simulations of the interaction between fast winds or jets with the large-scale NLR. Overall, the best agreement with observations (and especially the high outflow speeds of the [NeV] emitting gas) can be reached if the NLS1 galaxies are relatively young sources with lifetimes not much exceeding 1 Myr. These systems represent sites of strong feedback at NLR scales at work, well below redshift one.

Anisotropic ionizing radiation in Seyfert galaxies. I - The extended narrow-line region in Markarian 573

NASA Technical Reports Server (NTRS)

Tsvetanov, Zlatan; Walsh, J. R.

1992-01-01

The morphology, kinematics, and ionization state of the nuclear extended narrow-line region (ENLR) of the Seyfert 2 galaxy Mrk 573 are studied using narrow-band images of a grid of long-slit spectra. The entire ENLR is mapped spectroscopically, and velocity structure is studied. The velocity field map shows a typical galactic rotation picture with some important deviations. A simple geometric model, in accordance with the 'unified schemes', is employed to study the effects of various parameters of the observed picture. The best match is achieved when a biconical radiation field illuminates the ISM of the host galaxy that takes part in a normal galaxy rotation but also has radial motions close to the nucleus. The emission-line images reveal an ENLR elongated along the radio axis in the northwest-southeast direction, but a map of the flux ratio forbidden O III 5007/(H-alpha + forbidden N II) shows a different structure, with the highest excitation peak offset by about 4 arcsec along the radio axis to the southeast.

PROBING THE PHYSICS OF NARROW LINE REGIONS IN ACTIVE GALAXIES. II. THE SIDING SPRING SOUTHERN SEYFERT SPECTROSCOPIC SNAPSHOT SURVEY (S7)

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

Dopita, Michael A.; Davies, Rebecca; Kewley, Lisa

2015-03-15

Here we describe the Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7) and present results on 64 galaxies drawn from the first data release. The S7 uses the Wide Field Spectrograph mounted on the ANU 2.3 m telescope located at the Siding Spring Observatory to deliver an integral field of 38 × 25 arcsec at a spectral resolution of R = 7000 in the red (530–710 nm), and R = 3000 in the blue (340–560 nm). From these data cubes we have extracted the narrow-line region spectra from a 4 arcsec aperture centered on the nucleus. We also determine themore » Hβ and [O iii] λ5007 fluxes in the narrow lines, the nuclear reddening, the reddening-corrected relative intensities of the observed emission lines, and the Hβ and [O iii] λ5007 luminosities determined from spectra for which the stellar continuum has been removed. We present a set of images of the galaxies in [O iii] λ5007, [N ii] λ6584, and Hα, which serve to delineate the spatial extent of the extended narrow-line region and also to reveal the structure and morphology of the surrounding H ii regions. Finally, we provide a preliminary discussion of those Seyfert 1 and Seyfert 2 galaxies that display coronal emission lines in order to explore the origin of these lines.« less

Indirect detection of 10B (I = 3) overtone NMR at very fast magic angle spinning

NASA Astrophysics Data System (ADS)

Duong, Nghia Tuan; Kuprov, Ilya; Nishiyama, Yusuke

2018-06-01

The application of overtone nuclear magnetic resonance (OT NMR) to symmetric spin transitions of integer quadrupolar nuclei is of considerable interest since this transition is immune to the first-order quadrupolar interaction, thus resulting in narrow NMR lines. Owing to its roles in nature and its high natural abundance, 14N (I = 1) OT NMR has been explored, in which the indirect and/or direct acquisitions of 14N OT were experimentally demonstrated. However, other than 14N nucleus, no OT NMR observation of other integer quadrupolar nuclei has been reported in the literature. In this work, we extend the application of OT NMR to another integer quadrupolar nucleus, namely 10B (I = 3). However, this is not straightforward owing to the unfavorable characteristics of 10B isotope. Here, for the first time, we present the selective acquisition of 10B central (-1 ↔ +1) OT NMR via detection of 1H nuclei on perborate monohydrate sample. Numerical calculations are in a good agreement with the experimental results. Both show that the optimal sensitivity is achieved when the carrier frequency is applied at the second OT spinning sideband, i.e. an offset of twice of the spinning frequency from the center band.

Dynamics and conformations of PEO chains chemically bonded on silica: comparison between 1H and 2H NMR.

PubMed

Tajouri, T; Hommel, H

2007-06-01

1H NMR was used to study the motion of monomer units in a layer of poly(ethylene oxide) chains grafted on silica. First, the dependence of the relaxation times on the grafting ratios is discussed qualitatively from a phenomenological point of view. Next, the NMR line narrowing effect by high-speed rotation is observed in the same samples with different grafting ratios. The magic angle spinning technique permits determination of two correlation times for each grafting ratio: tau(c) characteristic of an environment with a fast motion and tau(l) characteristic of an environment with a slow motion. In addition, the dynamics of these grafted chains are investigated by deuterium NMR (2H NMR), which is sensitive to the anisotropy of molecular motion. The evolution has been studied for two extreme grafting ratios and each time as a function of temperature. The anisotropy is more marked at low temperatures and for a low grafting ratio. The results are consistent with the 1H NMR relaxation times measured as a function of temperature. Copyright 2007 John Wiley & Sons, Ltd.

A system for NMR stark spectroscopy of quadrupolar nuclei.

PubMed

Tarasek, Matthew R; Kempf, James G

2010-05-13

Electrostatic influences on NMR parameters are well accepted. Experimental and computational routes have been long pursued to understand and utilize such Stark effects. However, existing approaches are largely indirect informants on electric fields, and/or are complicated by multiple causal factors in spectroscopic change. We present a system to directly measure quadrupolar Stark effects from an applied electric (E) field. Our apparatus and applications are relevant in two contexts. Each uses a radiofrequency (rf) E field at twice the nuclear Larmor frequency (2omega(0)). The mechanism is a distortion of the E-field gradient tensor that is linear in the amplitude (E(0)) of the rf E field. The first uses 2omega(0) excitation of double-quantum transitions for times similar to T(1) (the longitudinal spin relaxation time). This perturbs the steady state distribution of spin population. Nonlinear analysis versus E(0) can be used to determine the Stark response rate. The second context uses POWER (perturbations observed with enhanced resolution) NMR. Here, coherent, short-time (NMR multiple-pulse line-narrowing sequence. Linear analysis of the Stark response is then possible: a quadrupolar multiplet with splitting proportional to E(0). The POWER sequence converts the 2omega(0) interaction from off-diagonal/nonsecular to the familiar diagonal form (I(z)(2)) of static quadrupole interactions. Meanwhile, background contributions to line width are averaged to zero, providing orders-of-magnitude resolution enhancement for correspondingly high sensitivity to the Stark effect. Using GaAs as a test case with well-defined Stark response, we provide the first demonstration of the 2omega(0) effect at high-field (14.1 T) and room temperature. This, along with the simplicity of our apparatus and spectral approach, may facilitate extensions to a wider array of material and molecular systems. The

The ordinary life of the γ-ray emitting narrow-line Seyfert 1 galaxy PKS 1502+036

DOE PAGES

D'Ammando, F.; Orienti, M.; Doi, A.; ...

2013-06-03

In this paper, we report on multifrequency observations of the γ-ray emitting narrow-line Seyfert 1 galaxy PKS 1502+036 performed from radio to γ-rays during 2008 August–2012 November by Fermi-Large Area Telescope (LAT), Swift (X-ray Telescope and Ultraviolet/Optical Telescope), Owens Valley Radio Observatory, Very Long Baseline Array (VLBA) and Very Large Array. No significant variability has been observed in γ-rays, with 0.1–100 GeV flux that ranged between (3–7) × 10 –8 ph cm –2 s –1 using 3-month time bins. The photon index of the LAT spectrum (Γ = 2.60 ± 0.06) and the apparent isotropic γ-ray luminosity (L0.1-100 GeV =more » 7.8 × 10 45 erg s –1) over 51 months are typical of a flat spectrum radio quasar. The radio spectral variability and the one-sided structure, in addition to the observed γ-ray luminosity, suggest a relativistic jet with a high Doppler factor. In contrast to SBS 0846+513, the VLBA at 15 GHz did not observe superluminal motion for PKS 1502+036. Despite having the optical characteristics typical of a narrow-line Seyfert 1 galaxy, radio and γ-ray properties of PKS 1502+036 are found to be similar to those of a blazar at the low end of the black hole mass distribution for blazars. As a result, this is in agreement with what has been found in the case of the other γ-ray emitting narrow-line Seyfert 1 SBS 0846+513.« less

Spin-injection optical pumping of molten cesium salt and its NMR diagnosis

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

Ishikawa, Kiyoshi

2015-07-15

Nuclear spin polarization of cesium ions in the salt was enhanced during optical pumping of cesium vapor at high magnetic field. Significant motional narrowing and frequency shift of NMR signals were observed by intense laser heating of the salt. When the hyperpolarized salt was cooled by blocking the heating laser, the signal width and frequency changed during cooling and presented the phase transition from liquid to solid. Hence, we find that the signal enhancement is mostly due to the molten salt and nuclear spin polarization is injected into the salt efficiently in the liquid phase. We also show that opticalmore » pumping similarly induces line narrowing in the solid phase. The use of powdered salt provided an increase in effective surface area and signal amplitude without glass wool in the glass cells.« less

Physical conditions in broad and associated narrow absorption-line systems toward APM 08279+5255

NASA Astrophysics Data System (ADS)

Srianand, R.; Petitjean, P.

2000-05-01

Results of a careful analysis of the absorption systems with z_abs =~ z_em seen toward the bright, z_em ~ 3.91, gravitationally lensed quasar APM 08279+5255 are presented. Two of the narrow-line systems, at z_abs = 3.8931 and z_abs = 3.9135, show absorptions from singly ionized species with weak or no N v and O vi absorptions at the same redshift. Absorption due to fine structure transitions of C ii and S ii i (excitation energies corresponding to, respectively, 156mu m and 34mu m) are detected at z_abs = 3.8931. Excitation by IR radiation is favored as the column density ratios are consistent with the shape of APM 08279+5255 IR spectrum. The low-ionization state of the system favors a picture where the cloud is closer to the IR source than to the UV source, supporting the idea that the extension of the IR source is larger than ~ 200 pc. The absence of fine structure lines at z_abs = 3.9135 suggests that the gas responsible for this system is farther away from the IR source. Abundances are ~ 0.01 and 1 Zsun at z_abs = 3.913 and 3.8931 and aluminum could be over-abundant with respect to silicon and carbon by at least a factor of two and five. All this suggests that whereas the z_abs = 3.8931 system is probably located within 200 pc from the QSO and ejected at a velocity larger than 1000 km s-1, the z_abs = 3.9135 system is farther away and part of the host-galaxy. Several narrow-line systems have strong absorption lines due to C iv, O vi and N v and very low neutral hydrogen optical depths. This probably implies metallicities Z>= Z_sun although firm conclusion cannot be drawn as the exact value depends strongly on the shape of the ionizing spectrum. The C iv broad absorption has a complex structure with mini-BALs (width <= 1000 km s-1) and narrow components superposed on a continuous absorption of smaller optical depth. The continuous absorption is much stronger in O vi indicating that the corresponding gas-component is of higher ionization than the other components

Observation of narrow isotopic optical magnetic resonances in individual emission spectral lines of neon

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

Saprykin, E G; Sorokin, V A; Shalagin, A M

Narrow resonances are observed in the course of recording the individual emission lines of the glow discharge in the mixture of isotopes {sup 20}Ne and {sup 22}Ne, depending on the strength of the longitudinal magnetic field. The position of resonances in the magnetic scale corresponds to the compensation of the isotopic shift for certain spectral lines due to the Zeeman effect. It is found that the contrast of the resonances is higher for the transitions between the highly excited energy levels, and the resonances themselves are formed in the zone of longitudinal spatial nonuniformity of the magnetic field. (laser applicationsmore » and other topics in quantum electronics)« less

Narrow-band generation in random distributed feedback fiber laser.

PubMed

Sugavanam, Srikanth; Tarasov, Nikita; Shu, Xuewen; Churkin, Dmitry V

2013-07-15

Narrow-band emission of spectral width down to ~0.05 nm line-width is achieved in the random distributed feedback fiber laser employing narrow-band fiber Bragg grating or fiber Fabry-Perot interferometer filters. The observed line-width is ~10 times less than line-width of other demonstrated up to date random distributed feedback fiber lasers. The random DFB laser with Fabry-Perot interferometer filter provides simultaneously multi-wavelength and narrow-band (within each line) generation with possibility of further wavelength tuning.

31P NMR spectroscopy studies of phospholipid metabolism in human melanoma xenograft lines differing in rate of tumour cell proliferation.

PubMed

Lyng, H; Olsen, D R; Petersen, S B; Rofstad, E K

1995-04-01

The concentration of phospholipid metabolites in tumours has been hypothesized to be related to rate of cell membrane turnover and may reflect rate of cell proliferation. The purpose of the study reported here was to investigate whether 31P NMR resonance ratios involving the phosphomonoester (PME) or phosphodiester (PDE) resonance are correlated to fraction of cells in S-phase or volume-doubling time in experimental tumours. Four human melanoma xenograft lines (BEX-t, HUX-t, SAX-t, WIX-t) were included in the study. The tumours were grown subcutaneously in male BALB/c-nu/nu mice. 31P NMR spectroscopy was performed at a magnetic field strength of 4.7 T. Fraction of cells in S-phase was measured by flow cytometry. Tumour volume-doubling time was determined by Gompertzian analysis of volumetric growth data. BEX-t and SAX-t tumours differed in fraction of cells in S-phase and volume-doubling time, but showed similar 31P NMR resonance ratios. BEX-t and WIX-t tumours showed significantly different 31P NMR resonance ratios but similar fractions of cells in S-phase. The 31P NMR resonance ratios were significantly different for small and large HUX-t tumours even though fraction of cells in S-phase and volume-doubling time did not differ with tumour volume. None of the 31P NMR resonance ratios showed significant increase with increasing fraction of cells in S-phase or significant decrease with increasing tumour volume-doubling time across the four xenograft lines.(ABSTRACT TRUNCATED AT 250 WORDS)

Narrow Line Cooling of 88Sr Atoms in the Magneto-optical Trap for Precision Frequency Standard

NASA Astrophysics Data System (ADS)

Strelkin, S. A.; Galyshev, A. A.; Berdasov, O. I.; Gribov, A. Yu.; Sutyrin, D. V.; Khabarova, K. Yu.; Kolachevsky, N. N.; Slyusarev, S. N.

We report on our progress toward the realization of a Strontium optical lattice clock, which is under development at VNIIFTRI as a part of GLONASS program. We've prepared the narrow line width laser system for secondary cooling of 88Sr atoms which allows us to reach atom cloud temperature below 3 μK after second cooling stage.

Metallic Li colloids studied by Li-7 MAS NMR in electron-irradiated LiF

NASA Astrophysics Data System (ADS)

Zogal, O. J.; Beuneu, F.; Vajda, P.; Florian, P.; Massiot, D.

Li-7 MAS NMR spectra of 2.5 MeV electron-irradiated LiF crystals have been measured in a field of 9.4 T. Besides the resonance line of the ionic compound, a second well-separated spectrum is observed in the region of the Knight shift value for metallic lithium. At room temperature, the latter can be decomposed into two components with different Knight shift and linewidth values. When the temperature is increased, line narrowing takes place at first, indicating shortening of correlation times for self-diffusion, independently in both components. Above 370 K, both lines broaden and approach each other before collapsing into a single line. The high ppm component disappears after crossing the melting temperature of metallic lithium (454 K). The two lines are attributed to different types of metallic Li: one to bulk-like metal, the other to Li present initially under pressure and relaxing to the former under thermal treatment.

NMR reaction monitoring in flow synthesis.

PubMed

Gomez, M Victoria; de la Hoz, Antonio

2017-01-01

Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.

NMR reaction monitoring in flow synthesis

PubMed Central

Gomez, M Victoria

2017-01-01

Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed. PMID:28326137

Investigating the Temperature Problem in Narrow Line Emitting AGN

NASA Astrophysics Data System (ADS)

Jenkins, Sam; Richardson, Chris T.

2018-06-01

Our research investigates the physical conditions in gas clouds around the narrow line region of AGN. Specifically, we explore the necessary conditions for anomalously high electron temperatures, Te, in those clouds. Our 321 galaxy data set was acquired from SDSS DR14 after requiring S/N > 5.0 in [OIII] 4363 and S/N > 3.0 in all BPT diagram emission lines, to ensure both accurate Te and galaxy classification, with 0.04 < z < 1.0. Interestingly, our data set contained no LINERs. We ran simulations using the simulation code Cloudy, and focused on matching the emission exhibited by the hottest of the 70 AGN in our data set. We used multicore computing to cut down on run time, which drastically improved the efficiency of our simulations. We varied hydrogen density, ionization parameter, and metallicity, Z, only to find these three parameters alone were incapable of recreating anomalously high Te, but successfully matched galaxies showing low- to moderate Te. These highest temperature simulations were at low Z, and were able to facilitate higher temperatures because they avoided the cooling effects of high Z. Our most successful simulations varied Z and grain content, which matched approximately 10% of our high temperature data. Our simulations with the highest grain content produced the highest Te because of the photoelectric heating effect that grains provide, which we confirmed by monitoring each heating mechanism as a function of depth. In the near future, we plan to run simulations varying grain content and ionization parameter in order to study the effects these conditions have on gas cloud Te.

Determining inclinations of active galactic nuclei via their narrow-line region kinematics

NASA Astrophysics Data System (ADS)

Fischer, Travis Cody

Active Galactic Nuclei (AGN) are axisymmetric systems to first order; their observed properties are likely strong functions of inclination with respect to our line of sight. However, except for a few special cases, the specific inclinations of individual AGN are unknown. We have developed a promising technique for determining the inclinations of nearby AGN by mapping the kinematics of their narrow-line regions (NLRs), which are easily resolved with Hubble Space Telescope (HST) [O III] imaging and long-slit spectra from the Space Telescope Imaging Spectrograph (STIS). Our studies indicate that NLR kinematics dominated by radial outflow can be fit with simple biconical outflow models that can be used to determine the inclination of the bicone axis, and hence the obscuring torus, with respect to our line of sight. We present NLR analysis of 53 Seyfert galaxies and resultant inclinations from models of 17 individual AGN with clear signatures of biconical outflow. From these AGN, which we can for the first time assess the effect of inclination on other observable properties in radio-quiet AGN, including the discovery of a distinct correlation between AGN inclination and X-ray column density. INDEX WORDS: AGN, Seyfert galaxies, NLR, Outflows, Kinematics, Bicones, Unified Model Graduation.

Line narrowing spectroscopic studies of DNA-carcinogen adducts and DNA-dye complexes

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

Suh, Myungkoo

1995-12-06

Laser-induced fluorescence line narrowing and non-line narrowing spectroscopic methods were applied to conformational studies of stable DNA adducts of the 7β, 8α-dihydoxy-9α, l0α-epoxy-7,8,9, 10-tetrahydrobenzo[α]pyrene (anti-BPDE). Stereochemically distinct (+)-trans-, (-)-trans-, (+)-cis- and (-)-cis adducts of anti-BPDE bound to exocyclic amino group of the central guanine in an 11-mer oligonucleotide, exist in a mixture of conformations in frozen aqueous buffer matrices. The (+)-trans adduct adopts primarily an external conformation with a smaller fraction ( ~25 %) exists in a partially base-stacked conformation. Both cis adducts were found to be intercalated with significant π-π stacking interactions between the pyrenyl residues and the bases.more » Conformations of the trans-adduct of (+)-anti -BPDE in 11-mer oligonucleotides were studied as a function of flanking bases. In single stranded form the adduct at G 2 or G 3 (5 ft-flanking, base guanine) adopts a conformation with strong, interaction with the bases. In contrast, the adduct with a 5ft-flanking, thymine exists in a primarily helixexternal conformation. Similar differences were observed in the double stranded oligonucleotides. The nature of the 3ft-flanking base has little influence on the conformational equilibrium of the (+)-trans-anti BPDE-dG adduct. The formation and repair of BPDE-N 2-dG in DNA isolated from the skin of mice treated topically with benzo[α]pyrene (BP) was studied. Low-temperature fluorescence spectroscopy of the intact DNA identified the major adduct as (+)-trans-anti-BPDE-N-dG, and the minor adduct fraction consisted mainly of (+)-cis-anti-BPDE-N 2-dG.« less

An NMR study of microvoids in polymers

NASA Technical Reports Server (NTRS)

Toy, James; Mattix, Larry

1995-01-01

An understanding of polymer defect structures, like microvoids in polymeric matrices, is crucial to their fabrication and application potential. In this project guest atoms are introduced into the microvoids in PMR-15 and NMR is used to determine microvoid sizes and locations. Xenon is a relatively inert probe that would normally be found naturally in polymer or in NMR probe materials. There are two NMR active xenon isotopes, Xe-129 and Xe-131. The Xe atom has a very high polarizability, which makes it sensitive to the intracrystalline environment of polymers. Interactions between the Xe atoms and the host matrix perturb the Xe electron cloud, deshielding the nuclei, and thereby expanding the range of the observed NMR chemical shifts. This chemical shift range which may be as large as 5000 ppm, permits subtle structural and chemical effects to be studied with high sensitivity. The Xe(129)-NMR line shape has been found to vary in response to changes in the pore symmetry of the framework hosts line Zeolites and Clathrasil compounds. Before exposure to Xe gas, the PMR-15 samples were dried in a vacuum oven at 150 C for 48 hours. The samples were then exposed to Xe gas at 30 psi for 72 hours and sealed in glass tubes with 1 atmosphere of xenon gas. Xenon gas at 1 atmosphere was used to tune up the spectrometer and to set up the appropriate NMR parameters. A single Xe-129 line at 83.003498 Mhz (with protons at 300 Mhz) was observed for the gas. With the xenon charged PMR-15 samples, a second broader line is observed 190 ppm downfield from the gas line (also observed). The width of the NMR line from the Xe-129 absorbed in the polymer is at least partially due to the distribution of microvoid sizes. From the chemical shift (relative to the gas line) and the line width, we estimate the average void sizes to be 2.74 +/- 0.20 angstroms. Since Xe-129 has such a large chemical shift range (approximately 5000 ppm), we expect the chemical shift anisotropy to contribute to the

Spatially Resolved Spectroscopy of Narrow-line Seyfert 1 Host Galaxies

NASA Astrophysics Data System (ADS)

Scharwächter, J.; Husemann, B.; Busch, G.; Komossa, S.; Dopita, M. A.

2017-10-01

We present optical integral field spectroscopy for five z< 0.062 narrow-line Seyfert 1 (NLS1) galaxies, probing their host galaxies at ≳ 2{--}3 {kpc} scales. Emission lines from the active galactic nucleus (AGN) and the large-scale host galaxy are analyzed separately, based on an AGN-host decomposition technique. The host galaxy gas kinematics indicates large-scale gas rotation in all five sources. At the probed scales of ≳ 2{--}3 {kpc}, the host galaxy gas is found to be predominantly ionized by star formation without any evidence of a strong AGN contribution. None of the five objects shows specific star formation rates (SFRs) exceeding the main sequence of low-redshift star-forming galaxies. The specific SFRs for MCG-05-01-013 and WPVS 007 are roughly consistent with the main sequence, while ESO 399-IG20, MS 22549-3712, and TON S180 show lower specific SFRs, intermediate to the main sequence and the red quiescent galaxies. The host galaxy metallicities, derived for the two sources with sufficient data quality (ESO 399-IG20 and MCG-05-01-013), indicate central oxygen abundances just below the low-redshift mass-metallicity relation. Based on this initial case study, we outline a comparison of AGN and host galaxy parameters as a starting point for future extended NLS1 studies with similar methods.

Characterisation of blends of polyisoprene and polystyrene by on-line hyphenation of HPLC and (1) H-NMR: LC-CC-NMR at critical conditions of both homopolymers.

PubMed

Sinha, Pritish; Hiller, Wolf; Pasch, Harald

2010-11-01

Blends of polystyrene (PS) and polyisoprene (PI) were analysed by on-line hyphenation of LC at critical conditions and (1) H-NMR. Chromatography at critical conditions was established for both PS and PI. At both critical conditions, a perfect separation into the blend components was achieved. By operating at critical conditions of one blend component and size exclusion mode for the other it is possible to determine the molar mass using a suitable calibration. By using NMR as a detector, the microstructure of PI can be identified, quantified and the chemical composition of the blends can be calculated by monitoring the signal intensities of the olefinic protons of isoprene and the aromatic protons of PS. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Imaging spectrophotometry of ionized gas in NGC 1068. I - Kinematics of the narrow-line region

NASA Technical Reports Server (NTRS)

Cecil, Gerald; Bland, Jonathan; Tully, R. Brent

1990-01-01

The kinematics of collisionally excited forbidden N II 6548, 6583 across the inner 1 arcmin diameter of the nearby Seyfert galaxy NGC 1068 is mapped using an imaging Fabry-Perot interferometer and low-noise CCD. The stack of monochromatic images, which spatially resolved the high-velocity gas, was analyzed for kinematic and photometric content. Profiles agree well with previous long-slit work, and their complete spatial coverage makes it possible to constrain the gas volume distribution. It is found that the narrow-line region is distributed in a thick center-darkened, line-emitting cylinder that envelopes the collimated radio jet. Three distinct kinematic subsystems, of which the cylinder is composed, are discussed in detail. Detailed behavior of the emission-line profiles, at the few points in the NE quadrant with simple kinematics, argues that the ionized gas develops a significant component of motion perpendicular to the jet axis.

Interfacial Water at Protein Surfaces: Wide-Line NMR and DSC Characterization of Hydration in Ubiquitin Solutions

PubMed Central

Tompa, Kálmán; Bánki, Péter; Bokor, Mónika; Kamasa, Pawel; Lasanda, György; Tompa, Péter

2009-01-01

Wide-line 1H-NMR and differential scanning calorimetry measurements were done in aqueous solutions and on lyophilized samples of human ubiquitin between −70°C and +45°C. The measured properties (size, thermal evolution, and wide-line NMR spectra) of the protein-water interfacial region are substantially different in the double-distilled and buffered-water solutions of ubiquitin. The characteristic transition in water mobility is identified as the melting of the nonfreezing/hydrate water. The amount of water in the low-temperature mobile fraction is 0.4 g/g protein for the pure water solution. The amount of mobile water is higher and its temperature dependence more pronounced for the buffered solution. The specific heat of the nonfreezing/hydrate water was evaluated using combined differential scanning calorimetry and NMR data. Considering the interfacial region as an independent phase, the values obtained are 5.0–5.8 J·g−1·K−1, and the magnitudes are higher than that of pure/bulk water (4.2 J·g−1·K−1). This unexpected discrepancy can only be resolved in principle by assuming that hydrate water is in tight H-bond coupling with the protein matrix. The specific heat for the system composed of the protein molecule and its hydration water is 2.3 J·g−1·K−1. It could be concluded that the protein ubiquitin and its hydrate layer behave as a highly interconnected single phase in a thermodynamic sense. PMID:19348762

The size-luminosity relationship of quasar narrow-line regions

NASA Astrophysics Data System (ADS)

Dempsey, Ross; Zakamska, Nadia L.

2018-07-01

The presence of an active galactic nucleus (AGN) can strongly affect its host. Due to the copious radiative power of the nucleus, the effects of radiative feedback can be detected over the entire host galaxy and sometimes well into the intergalactic space. In this paper we model the observed size-luminosity relationship of the narrow-line regions (NLRs) of AGN. We model the NLR as a collection of clouds in pressure equilibrium with the ionizing radiation, with each cloud producing line emission calculated by Cloudy. The sizes of the NLRs of powerful quasars are reproduced without any free parameters, as long as they contain massive (105-107 M⊙) ionization-bounded clouds. At lower AGN luminosities the observed sizes are larger than the model sizes, likely due to additional unmodeled sources of ionization (e.g. star formation). We find that the observed saturation of sizes at ˜10 kpc which is observed at high AGN luminosities (Lion ≃ 1046 erg s-1) is naturally explained by optically thick clouds absorbing the ionizing radiation and preventing illumination beyond a critical distance. Using our models in combination with observations of the [O III]/IR ratio and the [O III] size-IR luminosity relationship, we calculate the covering factor of the obscuring torus (and therefore the type 2 fraction within the quasar population) to be f = 0.5, though this is likely an upper bound. Finally, because the gas behind the ionization front is invisible in ionized gas transitions, emission-based NLR mass calculations underestimate the mass of the NLR and therefore of the energetics of ionized-gas winds.

Large-scale environments of narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Järvelä, E.; Lähteenmäki, A.; Lietzen, H.; Poudel, A.; Heinämäki, P.; Einasto, M.

2017-09-01

Studying large-scale environments of narrow-line Seyfert 1 (NLS1) galaxies gives a new perspective on their properties, particularly their radio loudness. The large-scale environment is believed to have an impact on the evolution and intrinsic properties of galaxies, however, NLS1 sources have not been studied in this context before. We have a large and diverse sample of 1341 NLS1 galaxies and three separate environment data sets constructed using Sloan Digital Sky Survey. We use various statistical methods to investigate how the properties of NLS1 galaxies are connected to the large-scale environment, and compare the large-scale environments of NLS1 galaxies with other active galactic nuclei (AGN) classes, for example, other jetted AGN and broad-line Seyfert 1 (BLS1) galaxies, to study how they are related. NLS1 galaxies reside in less dense environments than any of the comparison samples, thus confirming their young age. The average large-scale environment density and environmental distribution of NLS1 sources is clearly different compared to BLS1 galaxies, thus it is improbable that they could be the parent population of NLS1 galaxies and unified by orientation. Within the NLS1 class there is a trend of increasing radio loudness with increasing large-scale environment density, indicating that the large-scale environment affects their intrinsic properties. Our results suggest that the NLS1 class of sources is not homogeneous, and furthermore, that a considerable fraction of them are misclassified. We further support a published proposal to replace the traditional classification to radio-loud, and radio-quiet or radio-silent sources with a division into jetted and non-jetted sources.

The Size-Luminosity Relationship of Quasar Narrow-Line Regions

NASA Astrophysics Data System (ADS)

Dempsey, Ross; Zakamska, Nadia L.

2018-04-01

The presence of an active galactic nucleus (AGN) can strongly affect its host. Due to the copious radiative power of the nucleus, the effects of radiative feedback can be detected over the entire host galaxy and sometimes well into the intergalactic space. In this paper we model the observed size-luminosity relationship of the narrow-line regions (NLRs) of AGN. We model the NLR as a collection of clouds in pressure equilibrium with the ionizing radiation, with each cloud producing line emission calculated by Cloudy. The sizes of the NLRs of powerful quasars are reproduced without any free parameters, as long as they contain massive (105M⊙ to 107M⊙) ionization-bounded clouds. At lower AGN luminosities the observed sizes are larger than the model sizes, likely due to additional unmodeled sources of ionization (e.g., star formation). We find that the observed saturation of sizes at ˜10kpc which is observed at high AGN luminosities (Lion ≃ 1046erg/s) is naturally explained by optically thick clouds absorbing the ionizing radiation and preventing illumination beyond a critical distance. Using our models in combination with observations of the [O III]/IR ratio and the [O III] size - IR luminosity relationship, we calculate the covering factor of the obscuring torus (and therefore the type 2 fraction within the quasar population) to be f = 0.5, though this is likely an upper bound. Finally, because the gas behind the ionization front is invisible in ionized gas transitions, emission-based NLR mass calculations underestimate the mass of the NLR and therefore of the energetics of ionized-gas winds.

Narrow vs. Broad line Seyfert 1 galaxies: X-ray, optical and mid-infrared AGN characteristics

NASA Astrophysics Data System (ADS)

Lakićević, Maša; Popović, Luka Č.; Kovačević-Dojčinović, Jelena

2018-05-01

We investigated narrow line Seyfert 1 galaxies (NLS1s) at optical, mid-infrared (MIR) and X-ray wavelengths, comparing them to the broad line active galactic nuclei (BLAGNs). We found that black hole mass, coronal line luminosities, X-ray hardness ratio and X-ray, optical and MIR luminosities are higher for the BLAGNs than for NLS1s, while policyclic aromatic hydrocarbon (PAH) contribution and the accretion rates are higher for the NLS1s. Furthermore, we found some trends among spectral parameters that NLS1s have and BLAGNs do not have. The evolution of FWHM(Hβ) with the luminosities of MIR and coronal lines, continuum luminosities, PAH contribution, Hβ broad line luminosity, FWHM[O III] and EW(HβNLR), are important trends found for NLS1s. That may contribute to the insight that NLS1s are developing AGNs, growing their black holes, while their luminosities and FWHM(Hβ) consequently grow, and that BLAGNs are mature, larger objects of slower and/or different evolution. Black hole mass is related to PAH contribution only for NLS1s, which may suggest that PAHs are more efficiently destroyed in NLS1s.

NARROW Na AND K ABSORPTION LINES TOWARD T TAURI STARS: TRACING THE ATOMIC ENVELOPE OF MOLECULAR CLOUDS

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

Pascucci, I.; Simon, M. N.; Edwards, S.

2015-11-20

We present a detailed analysis of narrow Na i and K i absorption resonance lines toward nearly 40 T Tauri stars in Taurus with the goal of clarifying their origin. The Na i λ5889.95 line is detected toward all but one source, while the weaker K i λ7698.96 line is detected in about two-thirds of the sample. The similarity in their peak centroids and the significant positive correlation between their equivalent widths demonstrate that these transitions trace the same atomic gas. The absorption lines are present toward both disk and diskless young stellar objects, which excludes cold gas within themore » circumstellar disk as the absorbing material. A comparison of Na i and CO detections and peak centroids demonstrates that the atomic gas and molecular gas are not co-located, the atomic gas being more extended than the molecular gas. The width of the atomic lines corroborates this finding and points to atomic gas about an order of magnitude warmer than the molecular gas. The distribution of Na i radial velocities shows a clear spatial gradient along the length of the Taurus molecular cloud filaments. This suggests that absorption is associated with the Taurus molecular cloud. Assuming that the gradient is due to cloud rotation, the rotation of the atomic gas is consistent with differential galactic rotation, whereas the rotation of the molecular gas, although with the same rotation axis, is retrograde. Our analysis shows that narrow Na i and K i absorption resonance lines are useful tracers of the atomic envelope of molecular clouds. In line with recent findings from giant molecular clouds, our results demonstrate that the velocity fields of the atomic and molecular gas are misaligned. The angular momentum of a molecular cloud is not simply inherited from the rotating Galactic disk from which it formed but may be redistributed by cloud–cloud interactions.« less

VARIABLE REDDENING AND BROAD ABSORPTION LINES IN THE NARROW-LINE SEYFERT 1 GALAXY WPVS 007: AN ORIGIN IN THE TORUS

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

Leighly, Karen M.; Cooper, Erin; Grupe, Dirk

2015-08-10

We report the discovery of an occultation event in the low-luminosity narrow-line Seyfert 1 galaxy WPVS 007 in 2015 February and March. In concert with longer timescale variability, these observations place strong constraints on the nature and location of the absorbing material. Swift monitoring has revealed a secular decrease since ∼2010 accompanied by flattening of the optical and UV photometry that suggests variable reddening. Analysis of four Hubble Space Telescope COS observations since 2010, including a Director’s Discretionary time observation during the occultation, shows that the broad-absorption-line velocity offset and the C iv emission-line width both decrease as the reddeningmore » increases. The occultation dynamical timescale, the BAL variability dynamical timescale, and the density of the BAL gas show that both the reddening material and the broad-absorption-line gas are consistent with an origin in the torus. These observations can be explained by a scenario in which the torus is clumpy with variable scale height, and the BAL gas is blown from the torus material like spray from the crest of a wave. As the obscuring material passes into our line of sight, we alternately see high-velocity broad absorption lines and a clear view to the central engine, or low-velocity broad absorption lines and strong reddening. WPVS 007 has a small black hole mass, and correspondingly short timescales, and so we may be observing behavior that is common in BALQSOs, but is not typically observable.« less

NGC 5506 unmasked as a Narrow Line Seyfert 1:. A direct view of the broad line region using near-IR spectroscopy

NASA Astrophysics Data System (ADS)

Nagar, N. M.; Oliva, E.; Marconi, A.; Maiolino, R.

2002-08-01

This letter presents incontrovertible evidence that NGC 5506 is a Narrow Line Seyfert 1 (NLSy1). Our new 0.9-1.4 mu m spectrum of its nucleus clearly shows the permitted O I lambda 1.1287 mu m line (with full width at half maximum <2000 km s-1) and the ``1 micron Fe II lines''. These lines can only originate in the optically-thick broad line region (BLR) and, among Seyfert nuclei the latter series of lines are seen only in NLSy1s. The obscuration to the BLR, derived from a rough estimate of the O I lambda 1.1287 mu m/O I lambda 8446 ratio and from the reddening of the near-IR Paschen lines, is AV > 5. Together, these results make NGC 5506 the first identified case of an optically-obscured NLSy1. This new classification helps explain its radio to X-ray properties, which until now were considered highly anomalous. However, interesting new concerns are raised: e.g., NGC 5506 is unusual in hosting both a ``type 1'' AGN and a nuclear water vapor megamaser. As the brightest known NLSy1, NGC 5506 is highly suitable for study at wavebands less affected by obscuration. Based on observations made with the Italian Telescopio Nazionale Galileo (TNG) operated on the island of La Palma by the Centro Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias.

Consequences of narrow cyclotron emission from Hercules X-1

NASA Technical Reports Server (NTRS)

Weaver, R. P.

1978-01-01

The implications of the recent observations of a narrow cyclotron line in the hard X-ray spectrum of Hercules X-1 are studied. A Monte Carlo code is used to simulate the X-ray transfer of an intrinsically narrow feature at approximately 56 keV through an opaque, cold magnetospheric shell. The results of this study indicate that if a narrow line can be emitted by the source region, then only about 10% of the photons remain in a narrow feature after scattering through the shell. The remaining photons are scattered into a broad feature (FWHM approximately 30 keV) that peaks near 20 keV. Thus, these calculations indicate that the intrinsic source luminosity of the cyclotron line is at least an order of magnitude greater than the observed luminosity.

The origin of N III lambda 990 and C III lambda 977 emission in AGN narrow-line region gas

NASA Technical Reports Server (NTRS)

Ferguson, J. W.; Ferland, G. J.; Pradhan, A. K.

1995-01-01

We discuss implications of Hopkins Ultraviolet Telescope (HUT) detections of C III lambda 977 and N III lambda 990 emission from the narrow-line region of the Seyfert 2 galaxy NGC 1068. In their discovery paper Kriss et al. showed that the unexpectedly great strength of these lines implies that the emitting gas must be shock-heated if the lines are collisionally excited. Here we investigate other processes which excite these lines in photoionization equilibrium. Recombination, mainly dielectronic, and continuum fluorescence are strong contributors to the line. The resulting intensities are sensitive to the velocity field of the emitting gas and require that the turbulence be of the same order of magnitude as the observed line width. We propose optical observations that will decide whether the gas is collisionally or radiatively heated.

An XMM-Newton Study of the Bright Ultrasoft Narrow-Line Quasar NAB 0205+024

NASA Technical Reports Server (NTRS)

Brandt, Niel

2004-01-01

The broad-band X-ray continuum of NAB 0205424 is well constrained due to the excellent photon statistics obtained (about 97,700 counts), and its impressive soft X-ray excess is clearly apparent. The hard X-ray power law has become notably steeper than when NAB 0205424 was observed with ASCA, attesting to the presence of significant X-ray spectral variability. A strong and broad emission feature is detected from about 5 to 6.4 keV, and we have modeled this as a relativistic line emitted close to the black hole from a narrow annulus of the accretion disk. Furthermore, a strong X-ray flare is detected with a hard X-ray spectrum; this flare may be responsible for illuminating the inner line-emitting part of the accretion disk. The combined observational results can be broadly interpreted in terms of the "thundercloud model proposed by Merloni & Fabian (2001).

Proton-Based Ultrafast Magic Angle Spinning Solid-State NMR Spectroscopy.

PubMed

Zhang, Rongchun; Mroue, Kamal H; Ramamoorthy, Ayyalusamy

2017-04-18

Protons are vastly abundant in a wide range of exciting macromolecules and thus can be a powerful probe to investigate the structure and dynamics at atomic resolution using solid-state NMR (ssNMR) spectroscopy. Unfortunately, the high signal sensitivity, afforded by the high natural-abundance and high gyromagnetic ratio of protons, is greatly compromised by severe line broadening due to the very strong 1 H- 1 H dipolar couplings. As a result, protons are rarely used, in spite of the desperate need for enhancing the sensitivity of ssNMR to study a variety of systems that are not amenable for high resolution investigation using other techniques including X-ray crystallography, cryo-electron microscopy, and solution NMR spectroscopy. Thanks to the remarkable improvement in proton spectral resolution afforded by the significant advances in magic-angle-spinning (MAS) probe technology, 1 H ssNMR spectroscopy has recently attracted considerable attention in the structural and dynamics studies of various molecular systems. However, it still remains a challenge to obtain narrow 1 H spectral lines, especially from proteins, without resorting to deuteration. In this Account, we review recent proton-based ssNMR strategies that have been developed in our laboratory to further improve proton spectral resolution without resorting to chemical deuteration for the purposes of gaining atomistic-level insights into molecular structures of various crystalline solid systems, using small molecules and peptides as illustrative examples. The proton spectral resolution enhancement afforded by the ultrafast MAS frequencies up to 120 kHz is initially discussed, followed by a description of an ensemble of multidimensional NMR pulse sequences, all based on proton detection, that have been developed to obtain in-depth information from dipolar couplings and chemical shift anisotropy (CSA). Simple single channel multidimensional proton NMR experiments could be performed to probe the proximity of

Narrow-line Seyfert 1 galaxies at hard X-rays

NASA Astrophysics Data System (ADS)

Panessa, F.; de Rosa, A.; Bassani, L.; Bazzano, A.; Bird, A.; Landi, R.; Malizia, A.; Miniutti, G.; Molina, M.; Ubertini, P.

2011-11-01

Narrow-line Seyfert 1 (NLSy1) galaxies are a peculiar class of type 1 active galactic nuclei (broad-line Seyfert 1 galaxies, hereinafter BLSy1). The X-ray properties of individual objects belonging to this class are often extreme and associated with accretion at high Eddington ratios. Here, we present a study on a sample of 14 NLSy1 galaxies selected at hard X-rays (>20 keV) from the fourth INTEGRAL/IBIS catalogue. The 20-100 keV IBIS spectra show hard-X-ray photon indices flatly distributed (Γ20-100 keV ranging from ˜1.3 to ˜3.6) with an average value of <Γ20-100 keV>= 2.3 ± 0.7, compatible with a sample of hard-X-ray BLSy1 average slopes. Instead, NLSy1 galaxies show steeper spectral indices with respect to BLSy1 galaxies when broad-band spectra are considered. Indeed, we combine XMM-Newton and Swift/XRT with INTEGRAL/IBIS data sets to obtain a wide energy spectral coverage (0.3-100 keV). A constraint on the high energy cut-off and on the reflection component is achieved only in one source, SWIFT J2127.4+5654 (Ecut-off˜ 50 keV, R= 1.0+0.5- 0.4). Hard-X-ray-selected NLSy1 galaxies do not display particularly strong soft excess emission, while absorption fully or partially covering the continuum is often measured as well as Fe line emission features. Variability is a common trait in this sample, both at X-rays and at hard X-rays. The fraction of NLSy1 galaxies in the hard-X-ray sky is likely to be ˜15 per cent, in agreement with estimates derived in optically selected NLSy1 samples. We confirm the association of NLSy1 galaxies with small black hole masses with a peak at 107 M⊙ in the distribution; however, hard-X-ray NLSy1 galaxies seem to occupy the lower tail of the Eddington ratio distribution of classical NLSy1 galaxies. Based on observations obtained with the INTEGRAL/IBIS, XMM-Newton and Swift/XRT.

High resolution NMR measurements using a 400MHz NMR with an (RE)Ba2Cu3O7-x high-temperature superconducting inner coil: Towards a compact super-high-field NMR.

PubMed

Piao, R; Iguchi, S; Hamada, M; Matsumoto, S; Suematsu, H; Saito, A T; Li, J; Nakagome, H; Takao, T; Takahashi, M; Maeda, H; Yanagisawa, Y

2016-02-01

Use of high-temperature superconducting (HTS) inner coils in combination with conventional low-temperature superconducting (LTS) outer coils for an NMR magnet, i.e. a LTS/HTS NMR magnet, is a suitable option to realize a high-resolution NMR spectrometer with operating frequency >1GHz. From the standpoint of creating a compact magnet, (RE: Rare earth) Ba2Cu3O7-x (REBCO) HTS inner coils which can tolerate a strong hoop stress caused by a Lorentz force are preferred. However, in our previous work on a first-generation 400MHz LTS/REBCO NMR magnet, the NMR resolution and sensitivity were about ten times worse than that of a conventional LTS NMR magnet. The result was caused by a large field inhomogeneity in the REBCO coil itself and the shielding effect of a screening current induced in that coil. In the present paper, we describe the operation of a modified 400MHz LTS/REBCO NMR magnet with an advanced field compensation technology using a combination of novel ferromagnetic shimming and an appropriate procedure for NMR spectrum line shape optimization. We succeeded in obtaining a good NMR line shape and 2D NOESY spectrum for a lysozyme aqueous sample. We believe that this technology is indispensable for the realization of a compact super-high-field high-resolution NMR. Copyright © 2016 Elsevier Inc. All rights reserved.

Hyperfine structure of excited states and quadrupole moment of Ne-21 using laser-induced line-narrowing techniques.

NASA Technical Reports Server (NTRS)

Ducas, T. W.; Feld, M. S.; Ryan, L. W., Jr.; Skribanowitz, N.; Javan, A.

1972-01-01

Observation results are presented on the optical hyperfine structure in Ne-21 obtained with the aid of laser-induced line-narrowing techniques. The output from a long stabilized single-mode 1.15-micron He-Ne laser focused into an external sample cell containing Ne-21 was used in implementing these techniques. Their applicability is demonstrated for optical hyperfine structure observation in systems whose features are ordinarily masked by Doppler broadening.

Investigating powerful jets in radio-loud narrow-line Seyfert 1s

DOE PAGES

Orienti, M.; D'Ammando, F.; Larsson, J.; ...

2015-09-14

Here, we report results on multiband observations from radio to γ-rays of the two radio-loud narrow-line Seyfert 1 (NLSy1) galaxies PKS 2004-447 and J1548+3511. Furthermore, both sources show a core–jet structure on parsec scale, while they are unresolved at the arcsecond scale. The high core dominance and the high variability brightness temperature make these NLSy1 galaxies good γ-ray source candidates. Fermi-Large Area Telescope detected γ-ray emission only from PKS 2004-447, with a γ-ray luminosity comparable to that observed in blazars. There was no γ-ray emission observed for J1548+3511. Both sources are variable in X-rays. J1548+3511 shows a hardening of themore » spectrum during high activity states, while PKS 2004-447 has no spectral variability. A spectral steepening likely related to the soft excess is hinted below 2 keV for J1548+3511, while the X-ray spectra of PKS 2004-447 collected by XMM–Newton in 2012 are described by a single power law without significant soft excess. No additional absorption above the Galactic column density or the presence of an Fe line is detected in the X-ray spectra of both sources.« less

Development of LC-13C NMR

NASA Technical Reports Server (NTRS)

Dorn, H. C.; Wang, J. S.; Glass, T. E.

1986-01-01

This study involves the development of C-13 nuclear resonance as an on-line detector for liquid chromatography (LC-C-13 NMR) for the chemical characterization of aviation fuels. The initial focus of this study was the development of a high sensitivity flow C-13 NMR probe. Since C-13 NMR sensitivity is of paramount concern, considerable effort during the first year was directed at new NMR probe designs. In particular, various toroid coil designs were examined. In addition, corresponding shim coils for correcting the main magnetic field (B sub 0) homogeneity were examined. Based on these initial probe design studies, an LC-C-13 NMR probe was built and flow C-13 NMR data was obtained for a limited number of samples.

Spectral properties of X-ray selected narrow emission line galaxies

NASA Astrophysics Data System (ADS)

Romero-Colmenero, E.

1998-03-01

This thesis reports a study of the X-ray and optical properties of two samples of X-ray selected Narrow Emission Line Galaxies (NELGs), and their comparison with the properties of broad line Active Galactic Nuclei (AGN). One sample (18 NELGs) is drawn from the ROSAT International X-ray Optical Survey (RIXOS), the other (19 NELGs and 33 AGN) from the ROSAT UK Deep Survey. ROSAT multi-channel X-ray spectra have been extracted and fitted with power-law, bremsstrahlung and black body models for the brighter RIXOS sources. In most cases, power-law and bremsstrahlung models provide the best results. The average spectral energy index, alpha, of the RIXOS NELGs is 0.96 +/- 0.07, similar to that of AGN (alpha~1). For the fainter RIXOS NELGs, as well as for all the UK Deep Survey sources, counts in three spectral bands have been extracted and fitted with a power-law model, assuming the Galactic value for N_H. The brighter RIXOS sources demonstrated that the results obtained by these two different extraction and fitting procedures provide consistent results. Two average X-ray spectra, one for the NELGs and another for the AGN, were created from the UK Deep Survey sources. The power-law slope of the average NELG is alpha = 0.45 +/- 0.09, whilst that of the AGN is alpha = 0.96 +/- 0.03. ROSAT X-ray surveys have shown that the fractional surface density of NELGs increases with respect to AGN at faint fluxes (<= 2e-15 ergs cm-2 s-1), thus suggesting that NELGs are important contributors to the residual soft (<2 keV) X-ray background (XRB). Moreover, the spectral slope of this background (alpha~0.4, 1-10 keV) is harder than that of AGN (alpha~1), which are known to contribute most of the XRB at higher flux levels. The work presented in this thesis shows unequivocally for the first time that the integrated spectrum of the faintest NELGs (alpha~0.4) is consistent with that of the soft X-ray background, finally reconciling it with the properties of the sources that are thought to

Spectral properties of x-ray selected narrow emission line galaxies

NASA Astrophysics Data System (ADS)

Romero Colmenero, Encarnacion

This thesis reports a study of the X-ray and optical properties of two samples of X-ray selected Narrow Emission Line Galaxies (NELGs), and their comparison with the properties of broad line Active Galactic Nuclei (AGN). One sample (18 NELGs) is drawn from the ROSAT International X-ray Optical Survey (RIXOS), the other (19 NELGs and 33 AGN) from the ROSAT UK Deep Survey. ROSAT multi-channel X-ray spectra have been extracted and fitted with power-law, bremsstrahlung and black body models for the brighter RIXOS sources. In most cases, power-law and bremsstrahlung models provide the best results. The average spectral energy index, alpha, of the RIXOS NELGs is 0.96 +/- 0.07, similar to that of AGN (alpha ~ 1). For the fainter RIXOS NELGs, as well as for all the UK Deep Survey sources, counts in three spectral bands have been extracted and fitted with a power-law model, assuming the Galactic value for NH. The brighter RIXOS sources demonstrated that the results obtained by these two different extraction and fitting procedures provide consistent results. Two average X-ray spectra, one for the NELGs and another for the AGN, were created from the UK Deep Survey sources. The power-law spectral slope of the average NELG is S = 0.45 +/- 0.09, whilst that of the AGN is S = 0.96 +/- 0.03. ROSAT X-ray surveys have shown that the fractional surface density of NELGs increases with respect to AGN at faint fluxes (< 2 x 10-15erg cm-2 s -1), thus suggesting that NELGs are important contributors to the residual soft (< 2 keV) X-ray background (XRB). Moreover, the spectral slope of this background (S ~ 0.4, 1-10 keV) is harder than that of AGN (S ~ 1), which are known to contribute most of the XRB at higher flux levels. The work presented in this thesis shows unequivocally for the first time that the integrated spectrum of the faintest NELGs (alpha ~ 0.4) is consistent with that of the soft X-ray background, finally reconciling it with the properties of the sources that are thought to

Results of Detailed Modeling of the Narrow-Line Region of Seyfert Galaxies

NASA Technical Reports Server (NTRS)

Moore, David; Cohen, Ross D.

1996-01-01

We present model line profiles of [O II] lambda3727, [Ne III] lambda3869, [O I] lambda5007, [Fe VII] lambda6087, [Fe X] lambda6374, [O I] lambda6300, H(alpha) lambda6563, and [S 2] lambda6731. The profiles presented here illustrate explicitly the pronounced effects that collisional de-excitation, and that spatial variations in both the ionization parameter and cloud column density, have on Narrow-Line Region (NLR) model profiles. The above effects were included only qualitatively in a previous analytical treatment by Moore and Cohen. By making a direct correspondence between these model profiles and the analytical model profiles of Moore and Cohen, and by comparing with the observed profiles presented in a companion paper and also with those presented elsewhere in the literature, we strengthen some of the conclusions of Moore and Cohen. Most notably, we argue for constant ionization parameter, uniformly accelerated outflow of clouds that are individually stratified in ionization, and the interpretation of emission-line width correlations with ionization potential as a column density effect. For comparison with previous observational studies, such as our own in a companion paper, we also calculate profile parameters for some of the models, and we present and discuss the resulting line width correlations with critical density (n(sub cr)) and Ionization Potential (IP). Because the models we favor are those that produce extended profile wings as observed in high spectral resolution studies, the line width correlations of our favoured models are of particular interest. Line width correlations with n(sub cr) and/or IP result only if the width parameter is more sensitive to extended profile wings than is the Full Width at Half-Maximum (FWHM). Correlations between FWHM and n(sub cr) and/or IP result only after convolving the model profiles with a broad instrumental profile that simulates the lower spectral resolution used in early observational studies. The model in

Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application

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

Babailov, S. P., E-mail: babajlov@niic.nsc.ru; National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050; Purtov, P. A.

An expression has been derived for the time dependence of the NMR line shape for systems with multi-site chemical exchange in the absence of spin-spin coupling, in a zero saturation limit. The dynamics of variation of the NMR line shape with time is considered in detail for the case of two-site chemical exchange. Mathematical programs have been designed for numerical simulation of the NMR spectra of chemical exchange systems. The analytical expressions obtained are useful for NMR line shape simulations for systems with photoinduced chemical exchange.

First Detection of the [O(sub III)] 88 Micrometers Line at High Redshifts: Characterizing the Starburst and Narrow-Line Regions in Extreme Luminosity Systems

NASA Technical Reports Server (NTRS)

Ferkinhoff, C.; Hailey-Dunsheath, S.; Nikola, T.; Parshley, S. C.; Stacey, G. J.; Benford, D. J.; Staguhn, J. G.

2010-01-01

We have made the first detections of the 88 micrometers [O(sub III)] line from galaxies in the early universe, detecting the line from the lensed active galactic nucleus (AGN)/starburst composite systems APM 08279+5255 at z 3.911 and SMM J02399-0136 at z = 2.8076. The line is exceptionally bright from both systems, with apparent (lensed) luminosities approx.10(exp 11) Solar Luminosity, For APM 08279, the [O(sub III)] line flux can be modeled in a star formation paradigm, with the stellar radiation field dominated by stars with effective temperatures, T(sub eff) > 36,000 K, similar to the starburst found in M82. The model implies approx.35% of the total far-IR luminosity of the system is generated by the starburst, with the remainder arising from dust heated by the AGN. The 881,tm line can also be generated in the narrow-line region of the AGN if gas densities are around a few 1000 cu cm. For SMM J02399, the [O(sub III)] line likely arises from HII regions formed by hot (T(sub eff) > 40,000 K) young stars in a massive starburst that dominates the far-IR luminosity of the system. The present work demonstrates the utility of the [O(sub III)] line for characterizing starbursts and AGN within galaxies in the early universe. These are the first detections of this astrophysically important line from galaxies beyond a redshift of 0.05.s

Diagnosing the Kinematics of the Tori in Active Galactic Nuclei with the Velocity-resolved Reverberation Mapping of the Narrow Iron K α Line

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

Liu Yuan; Li Xiaobo, E-mail: liuyuan@ihep.ac.cn, E-mail: lixb@ihep.ac.cn

The properties of the dusty tori in active galactic nuclei (AGNs) have been investigated in detail, mainly focusing on the geometry and components; however, the kinematics of the torus are still not clear. The narrow iron K α line at 6.4 keV is thought to be produced by the X-ray reflection from the torus. Thus, the velocity-resolved reverberation mapping of it is able to constrain the kinematics of the torus. Such effort is limited by the spectral resolution of current charged coupled device (CCD) detectors and should be possible with the microcalorimeter on the next generation X-ray satellite. In thismore » paper, we first construct the response functions of the torus under a uniform inflow, a Keplerian rotation, and a uniform outflow. Then the energy-dependent light curve of the narrow iron K α line is simulated according to the performance of the X-ray Integral Field Unit in Athena. Finally, the energy-dependent cross-correlation function is calculated to reveal the kinematic signal. According to our results, 100 observations with 5 ks exposure of each are sufficient to distinguish the above three velocity fields. Although the real geometry and velocity field of the torus could be more complex than we assumed, the present result proves the feasibility of the velocity-resolved reverberation mapping of the narrow iron K α line. The combination of the dynamics of the torus with those of the broad-line region and the host galaxy is instructive for the understanding of the feeding and feedback process of AGNs.« less

THz Dynamic Nuclear Polarization NMR

PubMed Central

Nanni, Emilio A.; Barnes, Alexander B.; Griffin, Robert G.; Temkin, Richard J.

2013-01-01

Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140–600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology. PMID:24639915

High-resolution spectroscopy of the extended narrow-line region of IC 5063 and NGC 7212

NASA Astrophysics Data System (ADS)

Congiu, E.; Contini, M.; Ciroi, S.; Cracco, V.; Berton, M.; Di Mille, F.; Frezzato, M.; La Mura, G.; Rafanelli, P.

2017-10-01

We studied the properties of the gas of the extended narrow-line region (ENLR) of two Seyfert 2 galaxies: IC 5063 and NGC 7212. We analysed high-resolution spectra to investigate how the main properties of this region depend on the gas velocity. We divided the emission lines in velocity bins and we calculated several line ratios. Diagnostic diagrams and suma composite models (photoionization + shocks) show that in both galaxies there might be evidence of shocks significantly contributing in the gas ionization at high |V|, even though photoionization from the active nucleus remains the main ionization mechanism. In IC 5063, the ionization parameter depends on V and its trend might be explained assuming an hollow bi-conical shape for the ENLR, with one of the edges aligned with the galaxy disc. On the other hand, NGC 7212 does not show any kind of dependence. The models show that solar O/H relative abundances reproduce the observed spectra in all the analysed regions. They also revealed an high fragmentation of the gas clouds, suggesting that the complex kinematics observed in these two objects might be caused by interaction between the interstellar medium and high-velocity components, such as jets.

A compact, high temperature nuclear magnetic resonance probe for use in a narrow-bore superconducting magnet

NASA Astrophysics Data System (ADS)

Adler, Stuart B.; Michaels, James N.; Reimer, Jeffrey A.

1990-11-01

The design of a nuclear magnetic resonance (NMR) probe is reported, that can be used in narrow-bore superconducting solenoids for the observation of nuclear induction at high temperatures. The probe is compact, highly sensitive, and stable in continuous operation at temperatures up to 1050 C. The essential feature of the probe is a water-cooled NMR coil that contains the sample-furnace; this design maximizes sensitivity and circuit stability by maintaining the probe electronics at ambient temperature. The design is demonstrated by showing high temperature O-17 NMR spectra and relaxation measurements in solid barium bismuth oxide and yttria-stabilized zirconia.

Multiwavelength Monitoring of the Enigmatic Narrow-Line Seyfert 1 PMN J0948 0022 in March-July 2009

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

Abdo, A.A.; /Naval Research Lab, Wash., D.C. /Federal City Coll.; Ackermann, M.

Following the recent discovery of {gamma} rays from the radio-loud narrow-line Seyfert 1 galaxy PMN J0948+0022 (z = 0.5846), we started a multiwavelength campaign from radio to {gamma} rays, which was carried out between the end of 2009 March and the beginning of July. The source displayed activity at all the observed wavelengths: a general decreasing trend from optical to {gamma}-ray frequencies was followed by an increase of radio emission after less than two months from the peak of the {gamma}-ray emission. The largest flux change, about a factor of about 4, occurred in the X-ray band. The smallest wasmore » at ultraviolet and near-infrared frequencies, where the rate of the detected photons dropped by a factor 1.6-1.9. At optical wavelengths, where the sampling rate was the highest, it was possible to observe day scale variability, with flux variations up to a factor of about 3. The behavior of PMN J0948+0022 observed in this campaign and the calculated power carried out by its jet in the form of protons, electrons, radiation, and magnetic field are quite similar to that of blazars, specifically of flat-spectrum radio quasars. These results confirm the idea that radio-loud narrow-line Seyfert 1 galaxies host relativistic jets with power similar to that of average blazars.« less

Fermi monitoring of radio-loud narrow-line Seyfert 1 galaxies

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

Paliya, Vaidehi S.; Stalin, C. S.; Ravikumar, C. D., E-mail: vaidehi@iiap.res.in

2015-02-01

We present detailed analysis of the γ-ray flux variability and spectral properties of the five radio-loud narrow line Seyfert 1 (RL-NLSy1) galaxies, detected by the Large Area Telescope on board the Fermi Gamma-Ray Space Telescope, namely 1H 0323+342, SBS 0846+513, PMN J0948+0022, PKS 1502+036, and PKS 2004−447. The first three sources show significant flux variations, including the rapid variability of a few hours by 1H 0323+342. The average γ-ray spectrum of 1H 0323+342 and PMN J0948+0022 shows deviation from a simple power-law (PL) behavior, whereas the PL model gives a better fit for the other three sources. The spectra ofmore » 1H 0323+342, SBS 0846+513, and PMN J0948+0022, which are in low, flaring, and moderately active states, respectively, show significant curvature. Such curvature in the γ-ray spectrum of 1H 0323+342 and PMN J0948+0022 could be due to the emission region located inside the broad line region (BLR) where the primary mechanism of the γ-ray emission is inverse-Compton (IC) scattering of BLR photons occurring in the Klein–Nishina regime. The γ-ray emission of SBS 0846+513 is explained by IC scattering of dusty torus photons, which puts the emission region outside the BLR and thus under the Thomson regime. Therefore, the observed curvature of SBS 0846+513 could be intrinsic to the particle energy distribution. The presence of curvature in the γ-ray spectrum and flux variability amplitudes of some of the RL-NLSy1 galaxies suggests that these sources could be akin to low/moderate jet power flat spectrum radio quasars.« less

The Radio to Gamma-ray SED of the Narrow-line Seyfert 1 1H0323+342

NASA Astrophysics Data System (ADS)

Ward, M.

2017-10-01

A sub-set of radio-loud narrow line Seyfert 1s, have been detected in gamma-rays by the Fermi Gamma-Ray satellite. Their gamma-ray emission is thought to arise from a relativistic jet. We have obtained new near-infrared spectra and used the profiles of the Paschen lines to estimate the mass of the black hole. Combining this with results from optical lines and X-ray timing analysis we arrive at a value of 2 x 10**E7 solar masses. From modelling the broad-band SED, we drive an Eddington ratio of 0.5, rising to 1.0 for a spinning black hole (a=0.8). Furthermore, we constrain the external photon field, and use a single-zone leptonic jet model to obtain a range of jet-parameters which are consistent with Compton up-scattering to produce the observed gamma-ray spectrum. This low-redshift very well studied AGN can potentially provide a useful laboratory to further our understanding of the jet/disc connection in extragalactic sources.

Connections between Narrow Line Seyfert 1 Galaxies and Stellar Black Hole Candidates

NASA Astrophysics Data System (ADS)

Negoro, H.

Connections between narrow line Seyfert 1 galaxies (NLS1s) and black hole candidates are described. It has been pointed out that X-ray properties of NLS1s are simlar to those of stellar black hole candidates (BHCs). It is, however, not clear that NLS1s are corresponding to what `state' in the BHCs. Recently, rapid spectral variations during X-ray flares in a few NLS1s have been discovered using ASCA data. The properties of the spectral variations are very similar to those seen in stellar black hole candidates in the hard state. Such temporal variability accompanying the spectral change has not been recognized in black hole candidates in other states. These and recent theoretical progress based on a time variability model of the BHCs in the hard state imply that the advection plays an important role in the accretion process not only in the BHCs in the hard state, but also in NLS1s.

Discovery of Dramatic Optical Variability in SDSS J1100+4421: A Peculiar Radio-loud Narrow-line Seyfert 1 Galaxy?

NASA Astrophysics Data System (ADS)

Tanaka, Masaomi; Morokuma, Tomoki; Itoh, Ryosuke; Akitaya, Hiroshi; Tominaga, Nozomu; Saito, Yoshihiko; Stawarz, Łukasz; Tanaka, Yasuyuki T.; Gandhi, Poshak; Ali, Gamal; Aoki, Tsutomu; Contreras, Carlos; Doi, Mamoru; Essam, Ahmad; Hamed, Gamal; Hsiao, Eric Y.; Iwata, Ikuru; Kawabata, Koji S.; Kawai, Nobuyuki; Kikuchi, Yuki; Kobayashi, Naoto; Kuroda, Daisuke; Maehara, Hiroyuki; Matsumoto, Emiko; Mazzali, Paolo A.; Minezaki, Takeo; Mito, Hiroyuki; Miyata, Takashi; Miyazaki, Satoshi; Mori, Kensho; Moritani, Yuki; Morokuma-Matsui, Kana; Morrell, Nidia; Nagao, Tohru; Nakada, Yoshikazu; Nakata, Fumiaki; Noma, Chinami; Ohsuga, Ken; Okada, Norio; Phillips, Mark M.; Pian, Elena; Richmond, Michael W.; Sahu, Devendra; Sako, Shigeyuki; Sarugaku, Yuki; Shibata, Takumi; Soyano, Takao; Stritzinger, Maximilian D.; Tachibana, Yutaro; Taddia, Francesco; Takaki, Katsutoshi; Takey, Ali; Tarusawa, Ken'ichi; Ui, Takahiro; Ukita, Nobuharu; Urata, Yuji; Walker, Emma S.; Yoshii, Taketoshi

2014-10-01

We present our discovery of dramatic variability in SDSS J1100+4421 by the high-cadence transient survey Kiso Supernova Survey. The source brightened in the optical by at least a factor of three within about half a day. Spectroscopic observations suggest that this object is likely a narrow-line Seyfert 1 galaxy (NLS1) at z = 0.840, however, with unusually strong narrow emission lines. The estimated black hole mass of ~107 M ⊙ implies bolometric nuclear luminosity close to the Eddington limit. SDSS J1100+4421 is also extremely radio-loud, with a radio loudness parameter of R ~= 4 × 102-3 × 103, which implies the presence of relativistic jets. Rapid and large-amplitude optical variability of the target, reminiscent of that found in a few radio- and γ-ray-loud NLS1s, is therefore produced most likely in a blazar-like core. The 1.4 GHz radio image of the source shows an extended structure with a linear size of about 100 kpc. If SDSS J1100+4421 is a genuine NLS1, as suggested here, this radio structure would then be the largest ever discovered in this type of active galaxies.

Narrow-line, cw orange light generation in a diode-pumped Nd:YVO4 laser using volume Bragg gratings.

PubMed

Chen, Y L; Chen, W W; Du, C E; Chang, W K; Wang, J L; Chung, T Y; Chen, Y H

2009-12-07

We report on the demonstration of a narrow-line, cw orange 593-nm laser achieved via intracavity sum-frequency generation (SFG) of a diode-pumped dual-wavelength (1064 and 1342 nm) Nd:YVO(4) laser using two volume Bragg grating (VBG) reflectors. At diode pump power of up to 3.6 W, the 593-nm intracavity SFG laser radiates at the single longitudinal mode of spectral linewidth as narrow as approximately 15 MHz. More than 23-mW single-longitudinal-mode or 40-mW, <8.5-GHz (10-pm) linewidth (at 4.2-W diode pump power) 593-nm orange lights can be obtained from this compact laser system. Spectral tuning of the orange light was performed via the temperature tuning of the two VBGs in this system, achieving an effective tuning rate of ~5 pm/degrees C.

The GNAT: A new tool for processing NMR data.

PubMed

Castañar, Laura; Poggetto, Guilherme Dal; Colbourne, Adam A; Morris, Gareth A; Nilsson, Mathias

2018-06-01

The GNAT (General NMR Analysis Toolbox) is a free and open-source software package for processing, visualising, and analysing NMR data. It supersedes the popular DOSY Toolbox, which has a narrower focus on diffusion NMR. Data import of most common formats from the major NMR platforms is supported, as well as a GNAT generic format. Key basic processing of NMR data (e.g., Fourier transformation, baseline correction, and phasing) is catered for within the program, as well as more advanced techniques (e.g., reference deconvolution and pure shift FID reconstruction). Analysis tools include DOSY and SCORE for diffusion data, ROSY T 1 /T 2 estimation for relaxation data, and PARAFAC for multilinear analysis. The GNAT is written for the MATLAB® language and comes with a user-friendly graphical user interface. The standard version is intended to run with a MATLAB installation, but completely free-standing compiled versions for Windows, Mac, and Linux are also freely available. © 2018 The Authors Magnetic Resonance in Chemistry Published by John Wiley & Sons Ltd.

Spectra of High-Ionization Seyfert 1 Galaxies: Implications for the Narrow-Line Region

NASA Technical Reports Server (NTRS)

Moore, David; Cohen, Ross D.; Marcy, Geoffrey W.

1996-01-01

We present line profiles and profile parameters for the Narrow-Line Regions (NLRs) of six Seyfert 1 galaxies with high-ionization lines: MCG 8-11-11, Mrk 79, Mrk 704, Mrk 841, NGC 4151, and NGC 5548. The sample was chosen primarily with the goal of obtaining high-quality [Fe VII] lambda6087 and, when possible, [Fe X] lambda6374 profiles to determine if these lines are more likely formed in a physically distinct 'coronal line region' or are formed throughout the NLR along with lines of lower critical density (n(sub cr)) and/or Ionization Potential (IP). We discuss correlations of velocity shift and width with n(sub cr) and IP. In some objects, lines of high IP and/or n(sub cr) are systematically broader than those of low IP/n(sub cr). Of particular interest, however, are objects that show no correlations of line width with either IP or n(sub cr). In these objects, lines of high and low IP/n(sub cr), are remarkably similar, which is difficult to reconcile with the classical picture of the NLR, in which lines of high and low IP/n(sub cr) are formed in physically distinct regions. We argue for similar spatial extents for the flux in lines with similar profiles. Here, as well as in a modeling-oriented companion paper, we develop further an idea suggested by Moore & Cohen that objects that do and do not show line width correlations with IP/n(sub cr) can both be explained in terms of a single NLR model with only a small difference in the cloud column density distinguishing the two types of object. Overall, our objects do not show correlations between the Full Width at Half-Maximum (FWHM) and IP and/or n(sub cr). The width must be defined by a parameter that is sensitive to extended profile wings in order for the correlations to result. We present models in which FWHM correlations with IP and/or n(sub cr) result only after simulating the lower spectral resolution used in previous observational studies. The models that simulate the higher spectral resolution of our

Enhanced spectral resolution by high-dimensional NMR using the filter diagonalization method and "hidden" dimensions.

PubMed

Meng, Xi; Nguyen, Bao D; Ridge, Clark; Shaka, A J

2009-01-01

High-dimensional (HD) NMR spectra have poorer digital resolution than low-dimensional (LD) spectra, for a fixed amount of experiment time. This has led to "reduced-dimensionality" strategies, in which several LD projections of the HD NMR spectrum are acquired, each with higher digital resolution; an approximate HD spectrum is then inferred by some means. We propose a strategy that moves in the opposite direction, by adding more time dimensions to increase the information content of the data set, even if only a very sparse time grid is used in each dimension. The full HD time-domain data can be analyzed by the filter diagonalization method (FDM), yielding very narrow resonances along all of the frequency axes, even those with sparse sampling. Integrating over the added dimensions of HD FDM NMR spectra reconstitutes LD spectra with enhanced resolution, often more quickly than direct acquisition of the LD spectrum with a larger number of grid points in each of the fewer dimensions. If the extra-dimensions do not appear in the final spectrum, and are used solely to boost information content, we propose the moniker hidden-dimension NMR. This work shows that HD peaks have unmistakable frequency signatures that can be detected as single HD objects by an appropriate algorithm, even though their patterns would be tricky for a human operator to visualize or recognize, and even if digital resolution in an HD FT spectrum is very coarse compared with natural line widths.

Radio-Loud Narrow-Line Seyfert 1 as a New Class of Gamma-Ray Active Galactic Nuclei

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2009-12-04

In this work, we report the discovery with Fermi/LAT of γ-ray emission from three radio-loud narrow-line Seyfert 1 galaxies: PKS 1502+036 (z = 0.409), 1H 0323+342 (z = 0.061), and PKS 2004 – 447 (z = 0.24). In addition to PMN J0948+0022 (z = 0.585), the first source of this type to be detected in γ rays, they may form an emerging new class of γ-ray active galactic nuclei (AGNs). Lastly, these findings can have strong implications on our knowledge about relativistic jets and the unified model of the AGN.

The influence of temperature on narrow I 1 and I 2 lines in the luminescence spectrum of Ni0.6Zn0.4O

NASA Astrophysics Data System (ADS)

Sokolov, V. I.; Pustovarov, V. A.; Ivanov, V. Yu.; Gruzdev, N. B.; Sokolov, P. S.; Baranov, A. N.

2014-05-01

The behavior of the luminescence spectrum of solid solution Ni0.6Zn0.4O, in which two intense narrow lines were recently discovered, is investigated as a function of temperature. It is shown that the intensity of one of the lines drops in accordance with the Mott law with increasing temperature in the range between 10 and 50 K. The lines experience broadening, and the ratio of their intensities changes. In addition, the lines shift toward lower energies. This shift and broadening of both lines occur differently, suggesting that they are of different nature.

Multiwavelength Monitoring of the Enigmatic Narrow-Line Seyfert 1 PMN J0948+0022 in 2009 March-July

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2009-11-25

For this research, following the recent discovery of γ rays from the radio-loud narrow-line Seyfert 1 galaxy PMN J0948+0022 (z = 0.5846), we started a multiwavelength campaign from radio to γ rays, which was carried out between the end of 2009 March and the beginning of July. The source displayed activity at all the observed wavelengths: a general decreasing trend from optical to γ-ray frequencies was followed by an increase of radio emission after less than two months from the peak of the γ-ray emission. The largest flux change, about a factor of about 4, occurred in the X-ray band.more » The smallest was at ultraviolet and near-infrared frequencies, where the rate of the detected photons dropped by a factor 1.6-1.9. At optical wavelengths, where the sampling rate was the highest, it was possible to observe day scale variability, with flux variations up to a factor of about 3. The behavior of PMN J0948+0022 observed in this campaign and the calculated power carried out by its jet in the form of protons, electrons, radiation, and magnetic field are quite similar to that of blazars, specifically of flat-spectrum radio quasars. In conclusion, these results confirm the idea that radio-loud narrow-line Seyfert 1 galaxies host relativistic jets with power similar to that of average blazars.« less

Simultaneous NuSTAR and XMM-Newton 0.5-80 KeV Spectroscopy of the Narrow-Line Seyfert 1 Galaxy SWIFT J2127.4+5654

NASA Technical Reports Server (NTRS)

Marinucci, A.; Matt, G.; Kara, E.; Miniutti, G.; Elvis, M.; Arevalo, P.; Ballantyne, D. R.; Balokovic, M.; Bauer, F.; Brenneman, L.;

THE DUST SUBLIMATION RADIUS AS AN OUTER ENVELOPE TO THE BULK OF THE NARROW Fe Kα LINE EMISSION IN TYPE 1 AGNs

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

Gandhi, Poshak; Hönig, Sebastian F.; Kishimoto, Makoto

2015-10-20

The Fe Kα emission line is the most ubiquitous feature in the X-ray spectra of active galactic nuclei (AGNs), but the origin of its narrow core remains uncertain. Here, we investigate the connection between the sizes of the Fe Kα core emission regions and the measured sizes of the dusty tori in 13 local Type 1 AGNs. The observed Fe Kα emission radii (R{sub Fe}) are determined from spectrally resolved line widths in X-ray grating spectra, and the dust sublimation radii (R{sub dust}) are measured either from optical/near-infrared (NIR) reverberation time lags or from resolved NIR interferometric data. This directmore » comparison shows, on an object-by-object basis, that the dust sublimation radius forms an outer envelope to the bulk of the Fe Kα emission. R{sub Fe} matches R{sub dust} well in the AGNs, with the best constrained line widths currently. In a significant fraction of objects without a clear narrow line core, R{sub Fe} is similar to, or smaller than, the radius of the optical broad line region. These facts place important constraints on the torus geometries for our sample. Extended tori in which the solid angle of fluorescing gas peaks at well beyond the dust sublimation radius can be ruled out. We also test for luminosity scalings of R{sub Fe}, finding that the Eddington ratio is not a prime driver in determining the line location in our sample. We also discuss in detail potential caveats of data analysis and instrumental limitations, simplistic line modeling, uncertain black hole masses, and sample selection, showing that none of these is likely to bias our core result. The calorimeter on board Astro-H will soon vastly increase the parameter space over which line measurements can be made, overcoming many of these limitations.« less

Enhanced spectral resolution by high-dimensional NMR using the filter diagonalization method and “hidden” dimensions

PubMed Central

Meng, Xi; Nguyen, Bao D.; Ridge, Clark; Shaka, A. J.

2009-01-01

High-dimensional (HD) NMR spectra have poorer digital resolution than low-dimensional (LD) spectra, for a fixed amount of experiment time. This has led to “reduced-dimensionality” strategies, in which several LD projections of the HD NMR spectrum are acquired, each with higher digital resolution; an approximate HD spectrum is then inferred by some means. We propose a strategy that moves in the opposite direction, by adding more time dimensions to increase the information content of the data set, even if only a very sparse time grid is used in each dimension. The full HD time-domain data can be analyzed by the Filter Diagonalization Method (FDM), yielding very narrow resonances along all of the frequency axes, even those with sparse sampling. Integrating over the added dimensions of HD FDM NMR spectra reconstitutes LD spectra with enhanced resolution, often more quickly than direct acquisition of the LD spectrum with a larger number of grid points in each of the fewer dimensions. If the extra dimensions do not appear in the final spectrum, and are used solely to boost information content, we propose the moniker hidden-dimension NMR. This work shows that HD peaks have unmistakable frequency signatures that can be detected as single HD objects by an appropriate algorithm, even though their patterns would be tricky for a human operator to visualize or recognize, and even if digital resolution in an HD FT spectrum is very coarse compared with natural line widths. PMID:18926747

Spectral properties of the narrow-line region in Seyfert galaxies selected from the SDSS-DR7

NASA Astrophysics Data System (ADS)

Vaona, L.; Ciroi, S.; Di Mille, F.; Cracco, V.; La Mura, G.; Rafanelli, P.

2012-12-01

Although the properties of the narrow-line region (NLR) of active galactic nuclei (AGN) have been deeply studied by many authors in the past three decades, many questions are still open. The main goal of this work is to explore the NLR of Seyfert galaxies by collecting a large statistical spectroscopic sample of Seyfert 2 and Intermediate-type Seyfert galaxies having a high signal-to-noise ratio in order to take advantage of a high number of emission lines to be accurately measured. 2153 Seyfert 2 and 521 Intermediate-type Seyfert spectra were selected from Sloan Digital Sky Survey Data Release 7 (SDSS-DR7) with a diagnostic diagram based on the oxygen emission-line ratios. All the emission lines, broad components included, were measured by means of a self-developed code, after the subtraction of the stellar component. Physical parameters, such as internal reddening, ionization parameter, temperature, density, gas and stellar velocity dispersion were determined for each object. Furthermore, we estimated mass and radius of the NLR, kinetic energy of the ionized gas and black hole accretion rate. From the emission-line analysis and the estimated physical properties, it appears that the NLR is similar in Seyfert 2 and Intermediate-Seyfert galaxies. The only differences, lower extinction, gas kinematics in general not dominated by the host galaxy gravitational potential and higher percentage of [O III]λ5007 blue asymmetries in Intermediate-Seyfert, can be ascribed to an effect of inclination of our line of sight with respect to the torus axis.

The Peculiar Radio-loud Narrow Line Seyfert 1 Galaxy 1H 0323+342

NASA Astrophysics Data System (ADS)

Paliya, Vaidehi S.; Sahayanathan, S.; Parker, M. L.; Fabian, A. C.; Stalin, C. S.; Anjum, Ayesha; Pandey, S. B.

2014-07-01

We present a multiwavelength study of the radio-loud narrow-line Seyfert 1 galaxy (NLSy1) 1H 0323+342, detected by the Fermi Gamma-Ray Space Telescope. Multiband light curves show many orphan X-ray and optical flares having no corresponding γ-ray counterparts. Such anomalous variability behavior can be due to different locations of the emission region from the central source. During a large flare, a γ-ray flux doubling timescale as small as ~3 hr is noticed. We built spectral energy distributions (SEDs) during different activity states and modeled them using a one-zone leptonic model. The shape of the optical/UV component of the SEDs is dominated by accretion disk emission in all the activity states. In the X-ray band, significant thermal emission from the hot corona is inferred during quiescent and first flaring states; however, during subsequent flares, the nonthermal jet component dominates. The γ-ray emission in all the states can be well explained by inverse-Compton scattering of accretion disk photons reprocessed by the broad-line region. The source showed violent intra-night optical variability, coinciding with one of the high γ-ray activity states. An analysis of the overall X-ray spectrum fitted with an absorbed power-law plus relativistic reflection component hints at the presence of an Fe Kα line and returns a high black hole spin value of a = 0.96 ± 0.14. We argue that 1H 0323+342 possesses dual characteristics, akin to both flat-spectrum radio quasars (FSRQs) and radio-quiet NLSy1 galaxies, though at a low jet power regime compared to powerful FSRQs.

NMR Microscopy - Micron-Level Resolution.

NASA Astrophysics Data System (ADS)

Kwok, Wing-Chi Edmund

1990-01-01

Nuclear Magnetic Resonance Imaging (MRI) has been developed into a powerful and widely used diagnostic tool since the invention of techniques using linear magnetic field gradients in 1973. The variety of imaging contrasts obtainable in MRI, such as spin density, relaxation times and flow rate, gives MRI a significant advantage over other imaging techniques. For common diagnostic applications, image resolutions have been in the order of millimeters with slice thicknesses in centimeters. For many research applications, however, resolutions in the order of tens of microns or smaller are needed. NMR Imaging in these high resolution disciplines is known as NMR microscopy. Compared with conventional microscopy, NMR microscopy has the advantage of being non-invasive and non-destructive. The major obstacles of NMR microscopy are low signal-to-noise ratio and effects due to spin diffusion. To overcome these difficulties, more sensitive RF probes and very high magnetic field gradients have to be used. The most effective way to increase sensitivity is to build smaller probes. Microscope probes of different designs have been built and evaluated. Magnetic field gradient coils that can produce linear field gradients up to 450 Gauss/cm were also assembled. In addition, since microscope probes often employ remote capacitors for RF tuning, the associated signal loss in the transmission line was studied. Imaging experiments have been carried out in a 2.1 Tesla small bore superconducting magnet using the typical two-dimensional spin warp imaging technique. Images have been acquired for both biological and non-biological samples. The highest resolution was obtained in an image of a nerve bundle from the spinal cord of a racoon and has an in-plane resolution of 4 microns. These experiments have demonstrated the potential application of NMR microscopy to pathological research, nervous system study and non -destructive testings of materials. One way to further improve NMR microscopy is

NMR in an electric field: A bulk probe of the hidden spin and orbital polarizations

NASA Astrophysics Data System (ADS)

Ramírez-Ruiz, Jorge; Boutin, Samuel; Garate, Ion

2017-12-01

Recent theoretical work has established the presence of hidden spin and orbital textures in nonmagnetic materials with inversion symmetry. Here, we propose that these textures can be detected by nuclear magnetic resonance (NMR) measurements carried out in the presence of an electric field. In crystals with hidden polarizations, a uniform electric field produces a staggered magnetic field that points to opposite directions at atomic sites related by spatial inversion. As a result, the NMR resonance peak corresponding to inversion partner nuclei is split into two peaks. The magnitude of the splitting is proportional to the electric field and depends on the orientation of the electric field with respect to the crystallographic axes and the external magnetic field. As a case study, we present a theory of electric-field-induced splitting of NMR peaks for 77Se,125Te, and 209Bi in Bi2Se3 and Bi2Te3 . In conducting samples with current densities of ≃106A/cm 2 , the splitting for Bi can reach 100 kHz , which is comparable to or larger than the intrinsic width of the NMR lines. In order to observe the effect experimentally, the peak splitting must also exceed the linewidth produced by the Oersted field. In Bi2Se3 , this requires narrow wires of radius ≲1 μ m . We also discuss other potentially more promising candidate materials, such as SrRuO3 and BaIr2Ge2 , whose crystal symmetry enables strategies to suppress the linewidth produced by the Oersted field.

PIC microcontroller based external fast analog to digital converter to acquire wide-lined solid NMR spectra by BRUKER DRX and Avance-I spectrometers.

PubMed

Koczor, Bálint; Rohonczy, János

2015-01-01

Concerning many former liquid or hybrid liquid/solid NMR consoles, the built in Analog-to-Digital Converters (ADCs) are incapable of digitizing the fids at sampling rates in the MHz range. Regarding both strong anisotropic interactions in the solid state and wide chemical shift dispersion nuclei in solution phase such as (195)Pt, (119)Sn, (207)Pb etc., the spectrum range of interest might be in the MHz range. As determining the informative tensor components of anisotropic NMR interactions requires nonlinear fitting over the whole spectrum including the asymptotic baseline, it is prohibited by low sampling rates of the ADCs. Wide spectrum width is also useful in solution NMR, since windowing of wide chemical shift ranges is avoidable. We built an external analog to digital converter with 10 MHz maximal sampling rate, which can work simultaneously with the built in ADC of the spectrometer. The ADC was tested on both Bruker DRX and Avance-I NMR consoles. In addition to the analog channels it only requires three external digital lines of the NMR console. The ADC sends data to PC via USB. The whole process is controlled by software written in JAVA which is implemented under TopSpin. Copyright © 2015 Elsevier Inc. All rights reserved.

An XMM-Newton Study of the Bright Narrow-Line Seyfert 1 Galaxy Arakelian 564

NASA Technical Reports Server (NTRS)

Brandt, Niel

2004-01-01

We report on two XMM-Newton observations of the bright Narrow-Line Seyfert 1 galaxy Ark 564 taken one year apart (2000 June and 2001 June). The 0.6-10 keV continuum is well described by a soft blackbody component (kT - 140-150 eV) plus a steep power law (Gamma - 2.50-2.55). No significant spectral changes are observed between the two observations, although the X-ray flux in the second observation is - 40-50 per cent lower. In both observations we detect a significant absorption edge at a rest-frame energy of - 0.73 keV, corresponding to 0 VII. The presence of the absorption feature is confirmed by a simultaneous Chandra grating observation in 2000 June, although the best-fitting edge threshold is at a slightly lower energy in the Chandra data, possibly because of a different parameterization of the underlying X-ray continuum. We find tentative evidence for a broad iron emission line in the 2000 June observation. The results from an analysis of the power spectral density (PSD) function are also presented. The present XMM-Newton data support the idea that the PSD shows two breaks, although the location of the high-frequency break requires further constraints.

Catalog of Narrow Mg II Absorption Lines in the Baryon Oscillation Spectroscopic Survey

NASA Astrophysics Data System (ADS)

Chen, Zhi-Fu; Gu, Qiu-Sheng; Chen, Yan-Mei

2015-12-01

Using the Data Release 9 Quasar spectra from the Baryonic Oscillation Spectroscopic Survey, which does not include quasar spectra from the Sloan Digital Sky Survey Data Release 7, we detect narrow Mg ii λλ2796, 2803 absorption doublets in the spectral data redward of 1250 Å (quasar rest frame) until the red wing of the Mg ii λ2800 emission line. Our survey is limited to quasar spectra with a median signal-to-noise ratio < {{S}}/{{N}}> ≥slant 4 pixel-1 in the surveyed spectral region, resulting in a sample that contains 43,260 quasars. We have detected a total of 18,598 Mg ii absorption doublets with 0.2933 ≤ zabs ≤ 2.6529. About 75% of absorbers have an equivalent width at rest frame of {W}rλ 2796≥slant 1 \\mathringA . About 75% of absorbers have doublet ratios ({DR}={W}rλ 2796/{W}rλ 2803) in the range of 1 ≤ DR ≤ 2, and about 3.2% lie outside the range of 1 - σDR ≤ DR ≤ 2 + σDR. We characterize the detection false positives/negatives by the frequency of detected Mg ii absorption doublets in the limits of the S/N of the spectral data. The S/N = 4.5 limit is assigned a completeness fraction of 53% and tends to be complete when the S/N is greater than 4.5. The redshift number densities of all of the detected Mg ii absorbers moderately increase from z ≈ 0.4 to z ≈ 1.5, which parallels the evolution of the cosmic star formation rate density. Limiting our investigation to those quasars whose emission redshift can be determined from narrow emission lines, the relative velocities (β) of Mg ii absorbers have a complex distribution which probably consists of three classes of Mg ii absorbers: (1) cosmologically intervening absorbers; (2) environmental absorbers that reside within the quasar host galaxies or galaxy clusters; (3) quasar outflow absorbers. After subtracting contributions from cosmologically intervening absorbers and environmental absorbers, the β distribution of the Mg iiabsorbers might mainly be contributed by the quasar outflow

Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy

NASA Astrophysics Data System (ADS)

Beerwerth, J.; Storek, M.; Greim, D.; Lueg, J.; Siegel, R.; Cetinkaya, B.; Hiller, W.; Zimmermann, H.; Senker, J.; Böhmer, R.

2018-03-01

Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.

Application of CRAFT in two-dimensional NMR data processing.

PubMed

Krishnamurthy, Krish; Sefler, Andrea M; Russell, David J

2017-03-01

Two-dimensional (2D) data are typically truncated in both dimensions, but invariably and severely so in the indirect dimension. These truncated FIDs and/or interferograms are extensively zero filled, and Fourier transformation of such zero-filled data is always preceded by a rapidly decaying apodization function. Hence, the frequency line width in the spectrum (at least parallel to the evolution dimension) is almost always dominated by the apodization function. Such apodization-driven line broadening in the indirect (t 1 ) dimension leads to the lack of clear resolution of cross peaks in the 2D spectrum. Time-domain analysis (i.e. extraction of frequency, amplitudes, line width, and phase parameters directly from the FID, in this case via Bayesian modeling into a tabular format) of NMR data is another approach for spectral resonance characterization and quantification. The recently published complete reduction to amplitude frequency table (CRAFT) technique converts the raw FID data (i.e. time-domain data) into a table of frequencies, amplitudes, decay rate constants, and phases. CRAFT analyses of time-domain data require minimal or no apodization prior to extraction of the four parameters. We used the CRAFT processing approach for the decimation of the interferograms and compared the results from a variety of 2D spectra against conventional processing with and without linear prediction. The results show that use of the CRAFT technique to decimate the t 1 interferograms yields much narrower spectral line width of the resonances, circumventing the loss of resolution due to apodization. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Distributed seeding for narrow-line width hard x-ray free-electron lasers

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

Nguyen, Dinh Cong; Anisimov, Petr Mikhaylovich; Buechler, Cynthia Eileen

2015-09-09

We describe a new FEL line-narrowing technique called distributed seeding (DS), using Si(111) Bragg crystal monochromators to enhance the spectral brightness of the MaRIE hard X-ray freeelectron laser. DS differs from self-seeding in three important aspects. First, DS relies on spectral filtering of the radiation at multiple locations along the undulator, with a monochromator located every few power gain lengths. Second, DS performs filtering early in the exponential gain region before SASE spikes start to appear in the radiation longitudinal profile. Third, DS provides the option to select a wavelength longer than the peak of the SASE gain curve, whichmore » leads to improved spectral contrast of the seeded FEL over the SASE background. Timedependent Genesis simulations show the power-vs-z growth curves for DS exhibit behaviors of a seeded FEL amplifier, such as exponential growth region immediately after the filters. Of the seeding approaches considered, the two-stage DS spectra produce the highest contrast of seeded FEL over the SASE background and that the three-stage DS provides the narrowest linewidth with a relative spectral FWHM of 8 X 10 -5 .« less

Narrow absorption lines with two observations from the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Chen, Zhi-Fu; Gu, Qiu-Sheng; Chen, Yan-Mei; Cao, Yue

2015-07-01

We assemble 3524 quasars from the Sloan Digital Sky Survey (SDSS) with repeated observations to search for variations of the narrow C IV λ λ 1548,1551 and Mg II λ λ 2796,2803 absorption doublets in spectral regions shortward of 7000 Å in the observed frame, which corresponds to time-scales of about 150-2643 d in the quasar rest frame. In these quasar spectra, we detect 3580 C IV absorption systems with zabs = 1.5188-3.5212 and 1809 Mg II absorption systems with zabs = 0.3948-1.7167. In term of the absorber velocity (β) distribution in the quasar rest frame, we find a substantial number of C IV absorbers with β < 0.06, which might be connected to absorption of quasar outflows. The outflow absorption peaks at υ ≈ 2000 km s^{-1} and drops rapidly below this peak value. Among 3580 C IV absorption systems, 52 systems (˜1.5 per cent) show obvious variations in equivalent widths in the absorber rest frame (Wr): 16 enhanced, 16 emerged, 12 weakened and 8 disappeared systems, respectively. We find that changes in Wrλ1548 are related neither to the time-scales of the two SDSS observations nor to absorber velocities in the quasar rest frame. Variable absorption in low-ionization species is important to constrain the physical conditions of the absorbing gas. There are two variable Mg II absorption systems measured from SDSS spectra detected by Hacker et al. However, in our Mg II absorption sample, we find that neither shows variable absorption with confident levels of >4σ for λ2796 lines and >3σ for λ2803 lines.

2H and 27Al solid-state NMR study of the local environments in Al-doped 2-line ferrihydrite, goethite, and lepidocrocite

DOE PAGES

Kim, Jongsik; Ilott, Andrew J.; Middlemiss, Derek S.; ...

2015-05-13

Although substitution of aluminum into iron oxides and oxyhydroxides has been extensively studied, it is difficult to obtain accurate incorporation levels. Assessing the distribution of dopants within these materials has proven especially challenging because bulk analytical techniques cannot typically determine whether dopants are substituted directly into the bulk iron oxide or oxyhydroxide phase or if they form separate, minor phase impurities. These differences have important implications for the chemistry of these iron-containing materials, which are ubiquitous in the environment. In this work, 27Al and 2H NMR experiments are performed on series of Al-substituted goethite, lepidocrocite, and 2-line ferrihydrite in ordermore » to develop an NMR method to track Al substitution. The extent of Al substitution into the structural frameworks of each compound is quantified by comparing quantitative 27Al MAS NMR results with those from elemental analysis. Magnetic measurements are performed for the goethite series to compare with NMR measurements. Static 27Al spin–echo mapping experiments are used to probe the local environments around the Al substituents, providing clear evidence that they are incorporated into the bulk iron phases. As a result, predictions of the 2H and 27Al NMR hyperfine contact shifts in Al-doped goethite and lepidocrocite, obtained from a combined first-principles and empirical magnetic scaling approach, give further insight into the distribution of the dopants within these phases.« less

Probing the Physics of Narrow-line Regions in Active Galaxies. IV. Full Data Release of the Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7)

NASA Astrophysics Data System (ADS)

Thomas, Adam D.; Dopita, Michael A.; Shastri, Prajval; Davies, Rebecca; Hampton, Elise; Kewley, Lisa; Banfield, Julie; Groves, Brent; James, Bethan L.; Jin, Chichuan; Juneau, Stéphanie; Kharb, Preeti; Sairam, Lalitha; Scharwächter, Julia; Shalima, P.; Sundar, M. N.; Sutherland, Ralph; Zaw, Ingyin

2017-09-01

We present the second and final data release of the Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7). Data are presented for 63 new galaxies not included in the first data release, and we provide 2D emission-line fitting products for the full S7 sample of 131 galaxies. The S7 uses the WiFeS instrument on the ANU 2.3 m telescope to obtain spectra with a spectral resolution of R = 7000 in the red (540-700 nm) and R = 3000 in the blue (350-570 nm), over an integral field of 25 × 38 arcsec2 with 1 × 1 arcsec2 spatial pixels. The S7 contains both the largest sample of active galaxies and the highest spectral resolution of any comparable integral field survey to date. The emission-line fitting products include line fluxes, velocities, and velocity dispersions across the WiFeS field of view, and an artificial neural network has been used to determine the optimal number of Gaussian kinematic components for emission-lines in each spaxel. Broad Balmer lines are subtracted from the spectra of nuclear spatial pixels in Seyfert 1 galaxies before fitting the narrow lines. We bin nuclear spectra and measure reddening-corrected nuclear fluxes of strong narrow lines for each galaxy. The nuclear spectra are classified on optical diagnostic diagrams, where the strength of the coronal line [Fe vii] λ6087 is shown to be correlated with [O III]/Hβ. Maps revealing gas excitation and kinematics are included for the entire sample, and we provide notes on the newly observed objects.

The Role of Radiation Pressure in the Narrow Line Regions of Seyfert Host Galaxies

NASA Astrophysics Data System (ADS)

Davies, Rebecca L.; Dopita, Michael A.; Kewley, Lisa; Groves, Brent; Sutherland, Ralph; Hampton, Elise J.; Shastri, Prajval; Kharb, Preeti; Bhatt, Harish; Scharwächter, Julia; Jin, Chichuan; Banfield, Julie; Zaw, Ingyin; James, Bethan; Juneau, Stéphanie; Srivastava, Shweta

2016-06-01

We investigate the relative significance of radiation pressure and gas pressure in the extended narrow line regions (ENLRs) of four Seyfert galaxies from the integral field Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7). We demonstrate that there exist two distinct types of starburst-active galactic nucleus (AGN) mixing curves on standard emission line diagnostic diagrams, which reflect the balance between gas pressure and radiation pressure in the ENLR. In two of the galaxies the ENLR is radiation pressure dominated throughout and the ionization parameter remains constant (log U ˜ 0). In the other two galaxies radiation pressure is initially important, but gas pressure becomes dominant as the ionization parameter in the ENLR decreases from log U ˜ 0 to -3.2 ≲ log U ≲ -3.4. Where radiation pressure is dominant, the AGN regulates the density of the interstellar medium on kiloparsec scales and may therefore have a direct impact on star formation activity and/or the incidence of outflows in the host galaxy to scales far beyond the zone of influence of the black hole. We find that both radiation pressure dominated and gas pressure dominated ENLRs are dynamically active with evidence for outflows, indicating that radiation pressure may be an important source of AGN feedback even when it is not dominant over the entire ENLR.

Radio-emitting narrow-line Seyfert 1 galaxies in the JVLA perspective

NASA Astrophysics Data System (ADS)

Berton, M.; Congiu, E.; Järvelä, E.; Antonucci, R.; Kharb, P.; Lister, M. L.; Tarchi, A.; Caccianiga, A.; Chen, S.; Foschini, L.; Lähteenmäki, A.; Richards, J. L.; Ciroi, S.; Cracco, V.; Frezzato, M.; La Mura, G.; Rafanelli, P.

2018-06-01

We report the first results of a survey on 74 narrow-line Seyfert 1 galaxies (NLS1s) carried out in 2015 with the Karl G. Jansky Very Large Array (JVLA) at 5 GHz in A-configuration. So far, this is the largest survey aimed to image the radio continuum of NLS1s. We produced radio maps in order to compare the general properties of three different samples of objects: radio-quiet NLS1s (RQNLS1s), steep-spectrum radio-loud NLS1s (S-NLS1s), and flat-spectrum radio-loud NLS1s (F-NLS1s). We find that the three classes correspond to different radio morphologies, with F-NLS1s being more compact, and RQNLS1s often showing diffuse emission on kpc scales. We also find that F-NLS1s might be low-luminosity and possibly young blazars, and that S-NLS1s are part of the parent population of F-NLS1s. Dedicated studies to RQNLS1s are needed to fully understand their role in the unification pictures. The reduced images (FITS files) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/614/A87

Proton NMR study of α-MnH 0.06

NASA Astrophysics Data System (ADS)

Soloninin, A. V.; Skripov, A. V.; Buzlukov, A. L.; Antonov, V. E.; Antonova, T. E.

2004-07-01

Proton nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates for the solid solution α-MnH 0.06 have been measured over the temperature range 11-297 K and the resonance frequency range 20-90 MHz. A considerable shift and broadening of the proton NMR line and a sharp peak of the spin-lattice relaxation rate are observed near 130 K. These effects are attributed to the onset of antiferromagnetic ordering below the Néel temperature TN≈130 K. The proton NMR line does not disappear in the antiferromagnetic phase; this suggests a small magnitude of the local magnetic fields at H-sites in α-MnH 0.06. The spin-lattice relaxation rate in the paramagnetic phase is dominated by the effects of spin fluctuations.

Radio jets and gamma-ray emission in radio-silent narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Lähteenmäki, A.; Järvelä, E.; Ramakrishnan, V.; Tornikoski, M.; Tammi, J.; Vera, R. J. C.; Chamani, W.

2018-06-01

We have detected six narrow-line Seyfert 1 (NLS1) galaxies at 37 GHz that were previously classified as radio silent and two that were classified as radio quiet. These detections reveal the presumption that NLS1 galaxies labelled radio quiet or radio silent and hosted by spiral galaxies are unable to launch jets to be incorrect. The detections are a plausible indicator of the presence of a powerful, most likely relativistic jet because this intensity of emission at 37 GHz cannot be explained by, for example, radiation from supernova remnants. Additionally, one of the detected NLS1 galaxies is a newly discovered source of gamma rays and three others are candidates for future detections. 37 GHz data are only available in electronic form at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/614/L1

New insight into hydration and aging mechanisms of paper by the line shape analysis of proton NMR spectra

NASA Astrophysics Data System (ADS)

Mallamace, D.; Vasi, S.; Missori, M.; Corsaro, C.

2016-05-01

The action of water within biological systems is strictly linked either with their physical chemical properties and with their functions. Cellulose is one of the most studied biopolymers due to its biological importance and its wide use in manufactured products. Among them, paper is mainly constituted by an almost equimolar ratio of cellulose and water. Therefore the study of the behavior of water within pristine and aged paper samples can help to shed light on the degradation mechanisms that irremediably act over time and spoil paper. In this work we present Nuclear Magnetic Resonance (NMR) experiments on modern paper samples made of pure cellulose not aged and artificially aged as well as on ancient paper samples made in 1413 in Perpignan (France). The line shape parameters of the proton NMR spectra were studied as a function of the hydration content. Results indicate that water in aged samples is progressively involved in the hydration of the byproducts of cellulose degradation. This enhances the degradation process itself through the progressive consumption of the cellulose amorphous regions.

Line Narrowing of Excited-State Transitions in Nonlinear Polarization Spectroscopy: Application to Water-Soluble Chlorophyll-Binding Protein

NASA Astrophysics Data System (ADS)

Schoth, Mario; Richter, Marten; Knorr, Andreas; Renger, Thomas

2012-04-01

The homogeneous linewidth of dye aggregates like photosynthetic light-harvesting complexes contains important information about energy transfer and relaxation times that is, however, masked by inhomogeneous broadening caused by static disorder. Whereas there exist line narrowing techniques for the study of low-energy exciton states, the homogeneous linewidth of the high-energy states is not so easy to decipher. Here we present a microscopic theory for nonlinear polarization spectroscopy in the frequency domain that contains a dynamic aggregate selection revealing the homogeneous linewidth of these states. The theory is applied to the water-soluble chlorophyll-binding protein for which the high-energy exciton state was predicted to exhibit a sub-100-fs lifetime.

Probing the Physics of Narrow-line Regions in Active Galaxies. IV. Full Data Release of the Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7)

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

Thomas, Adam D.; Dopita, Michael A.; Davies, Rebecca

We present the second and final data release of the Siding Spring Southern Seyfert Spectroscopic Snapshot Survey (S7). Data are presented for 63 new galaxies not included in the first data release, and we provide 2D emission-line fitting products for the full S7 sample of 131 galaxies. The S7 uses the WiFeS instrument on the ANU 2.3 m telescope to obtain spectra with a spectral resolution of R  = 7000 in the red (540–700 nm) and R  = 3000 in the blue (350–570 nm), over an integral field of 25 × 38 arcsec{sup 2} with 1 × 1 arcsec{sup 2} spatial pixels. The S7 contains bothmore » the largest sample of active galaxies and the highest spectral resolution of any comparable integral field survey to date. The emission-line fitting products include line fluxes, velocities, and velocity dispersions across the WiFeS field of view, and an artificial neural network has been used to determine the optimal number of Gaussian kinematic components for emission-lines in each spaxel. Broad Balmer lines are subtracted from the spectra of nuclear spatial pixels in Seyfert 1 galaxies before fitting the narrow lines. We bin nuclear spectra and measure reddening-corrected nuclear fluxes of strong narrow lines for each galaxy. The nuclear spectra are classified on optical diagnostic diagrams, where the strength of the coronal line [Fe vii] λ 6087 is shown to be correlated with [O iii]/H β . Maps revealing gas excitation and kinematics are included for the entire sample, and we provide notes on the newly observed objects.« less

Searches for H2O masers toward narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Yoshiaki, Hagiwara; Doi, Akihiro; Hachisuka, Kazuya; Horiuchi, Shinji

2018-05-01

We present searches for 22 GHz H2O masers toward 36 narrow-line Seyfert 1 galaxies (NLS1s), selected from known NLS1s with vsys ≲ 41000 km s-1. Out of the 36 NLS1s in our sample, 11 have been first surveyed in our observations, while the observations of other NLS1s were previously reported in literature. In our survey, no new water maser source from NLS1s was detected at the 3σ rms level of 8.4 mJy to 144 mJy, which depends on different observing conditions or inhomogeneous sensitivities of each observation using three different telescopes. It is likely that the non-detection of new masers in our NLS1 sample is primarily due to insufficient sensitivities of our observations. Including the five known NLS1 masers, the total detection rate of the H2O maser in NLS1s is not remarkably different from that of type 2 Seyfert galaxies or LINERs. However, more extensive and systematic searches of NLS1 would be required for a statistical discussion of the detection rate of the NLS1 maser, compared with that of type 2 Seyferts or LINERs.

Searches for H2O masers toward narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Hagiwara, Yoshiaki; Doi, Akihiro; Hachisuka, Kazuya; Horiuchi, Shinji

2018-06-01

We present searches for 22 GHz H2O masers toward 36 narrow-line Seyfert 1 galaxies (NLS1s), selected from known NLS1s with vsys ≲ 41000 km s-1. Out of the 36 NLS1s in our sample, 11 have been first surveyed in our observations, while the observations of other NLS1s were previously reported in literature. In our survey, no new water maser source from NLS1s was detected at the 3σ rms level of 8.4 mJy to 144 mJy, which depends on different observing conditions or inhomogeneous sensitivities of each observation using three different telescopes. It is likely that the non-detection of new masers in our NLS1 sample is primarily due to insufficient sensitivities of our observations. Including the five known NLS1 masers, the total detection rate of the H2O maser in NLS1s is not remarkably different from that of type 2 Seyfert galaxies or LINERs. However, more extensive and systematic searches of NLS1 would be required for a statistical discussion of the detection rate of the NLS1 maser, compared with that of type 2 Seyferts or LINERs.

Narrow-Line Seyfert 1 Galaxies and their place in the Universe

NASA Astrophysics Data System (ADS)

Foschini, L.; Colpi, M.; Gallo, L.; Grupe, D.; Komossa, S.; Leighly, K.; Mathur, S.

In 1978, Davidson and Kinman wrote about Markarian 359: "This unusual object merits further observations...". In 1985, Osterbrock and Pogge defined a new class of active galactic nuclei (AGN), named Narrow-Line Seyfert 1 (NLS1). Twenty-five years later, NLS1s still continue to intrigue and bewilder. NLS1s manifest extreme behaviour at all wavelengths. They exhibit the most extreme X-ray variability seen in radio-quiet AGN, the most intense optical FeII emission, and high rates of star formation. In general, their characteristics are consistent of AGNs with relatively low mass black holes accreting close to the Eddington rate. The 2009 Fermi Gamma-ray Space Telescope discovery of high-energy (E>100 MeV) gamma rays in a handful of NLS1s has established the existence of relativistic jets in these systems -- a fact previously hinted at by the flat radio spectrum and high brightness temperature seen in some objects. Since NLS1 are generally hosted by spirals, this poses some intriguing questions on the galaxy evolution and on how relativistic jets are generated. It is therefore time for the broad community to come together and discuss what we have discovered in the last quarter century and lay the foundation for future work. Workshop Topics: * Central engine: BH mass, accretion disk, BLR/NLR, jet * Host galaxy: morphology, star formation, merging history * NLS1 in the Universe: comparison with other types of AGN, surveys/statistics, formation/merging, cosmological evolution

Gamma-Ray-emitting Narrow-line Seyfert 1 Galaxies in the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Paliya, Vaidehi S.; Ajello, M.; Rakshit, S.; Mandal, Amit Kumar; Stalin, C. S.; Kaur, A.; Hartmann, D.

2018-01-01

The detection of significant γ-ray emission from radio-loud narrow-line Seyfert 1 (NLSy1s) galaxies enables us to study jets in environments different than those in blazars. However, due to the small number of known γ-ray-emitting NLSy1 (γ-NLSy1) galaxies, a comprehensive study could not be performed. Here, we report the first detection of significant γ-ray emission from four active galactic nuclei (AGNs), recently classified as NLSy1 from their Sloan Digital Sky Survey (SDSS) optical spectrum. Three flat-spectrum radio quasars (FSRQs) present in the third Large Area Telescope AGN catalog (3LAC) are also found as γ-NLSy1 galaxies. Comparing the γ-ray properties of these objects with 3LAC blazars reveals their spectral shapes to be similar to FSRQs, however, with low γ-ray luminosity (≲1046–47 erg s‑1). In the Wide-field Infrared Survey Explorer color–color diagram, these objects occupy a region mainly populated by FSRQs. Using the H β emission line parameters, we find that on average γ-NLSy1 have smaller black hole masses than FSRQs at similar redshifts. In the low-resolution SDSS image of one of the γ-NLSy1 source, we find the evidence of an extended structure. We conclude by noting that overall many observational properties of γ-NLSy1 sources are similar to FSRQs, and therefore these objects could be their low black hole mass counterparts, as predicted in the literature.

Optical pumping and xenon NMR

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

Raftery, M. Daniel

1991-11-01

Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping 129Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to highmore » magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the 131Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen.« less

Optical pumping and xenon NMR

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

Raftery, M.D.

1991-11-01

Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping [sup 129]Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas tomore » high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the [sup 131]Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen.« less

All-optical laser spectral narrowing and line fixing at atomic absorption transition by injection competition and gain knock-down techniques

NASA Astrophysics Data System (ADS)

Gacheva, Lazarina I.; Deneva, Margarita A.; Kalbanov, Mihail H.; Nenchev, Marin N.

2008-12-01

We present two original, all optical techniques, to produce a narrowline laser light, fixed at the frequency of a chosen reference atomic absorption transition. The first type of systems is an essential improvement of our method 3,4 for laser spectral locking using a control by two frequency scanned, competitive injections with disturbed power ratio by the absorption at the reference line. The new development eliminates the narrowing limiting problem, related with the fixed laser longitudinal mode structure. We have proposed an original new technique for continuously tunable single mode laser operation in combination with synchronously and equal continuous tuning of the modes of the amplifier. By adapting the laser differential rate equations, the system is analyzed theoretically in details and is shown its feasibility. The results are in agreement with previous our experiments. The essential advantage, except simplicity of realization, is that the laser line can be of order of magnitude and more narrowed than the absorption linewidth. The second system is based of the laser amplifier arrangement with a gain knock-down from the competitive frequency scanned pulse, except at the wavelength of the desired absorption reference line. The essential advantages of the last system are that the problem of fixing laser mode presence is naturally avoided. The theoretical modeling and the numerical investigations show the peculiarity and advantages of the system proposed. The developed approaches are of interest for applications in spectroscopy, in DIAL monitoring of the atmospheric pollutants, in isotope separation system and potentially - for creation of simple, all optical, frequency standards for optical communications. Also, the continuously tunable single mode laser (and the combination with the simultaneously tunable amplifier) presents itself the interest for many practical applications in spectroscopy, metrology, and holography. We compare the action and the

Second-order quadrupolar line shapes under molecular dynamics: An additional transition in the extremely fast regime.

PubMed

Hung, Ivan; Wu, Gang; Gan, Zhehong

NMR spectroscopy is a powerful tool for probing molecular dynamics. For the classic case of two-site exchange, NMR spectra go through the transition from exchange broadening through coalescence and then motional narrowing as the exchange rate increases passing through the difference between the resonance frequencies of the two sites. For central-transition spectra of half-integer quadrupolar nuclei in solids, line shape change due to molecular dynamics occurs in two stages. The first stage occurs when the exchange rate is comparable to the second-order quadrupolar interaction. The second spectral transition comes at a faster exchange rate which approaches the Larmor frequency and generally reduces the isotropic quadrupolar shift. Such a two-stage transition phenomenon is unique to half-integer quadrupolar nuclei. A quantum mechanical formalism in full Liouville space is presented to explain the physical origin of the two-stage phenomenon and for use in spectral simulations. Variable-temperature 17 O NMR of solid NaNO 3 in which the NO 3 - ion undergoes 3-fold jumps confirms the two-stage transition process. The spectra of NaNO 3 acquired in the temperature range of 173-413K agree well with simulations using the quantum mechanical formalism. The rate constants for the 3-fold NO 3 - ion jumps span eight orders of magnitude (10 2 -10 10 s -1 ) covering both transitions of the dynamic 17 O line shape. Copyright © 2016 Elsevier Inc. All rights reserved.

The role of cysteine 206 in allosteric inhibition of Escherichia coli citrate synthase. Studies by chemical modification, site-directed mutagenesis, and 19F NMR.

PubMed

Donald, L J; Crane, B R; Anderson, D H; Duckworth, H W

1991-11-05

Escherichia coli citrate synthase is strongly and specifically inhibited by NADH, but this inhibition can be prevented by reacting the enzyme with Ellman's reagent. We have now labeled the single reactive cysteine covalently with monobromobimane and isolated and sequenced the bimane-containing cyanogen bromide peptide and identified the cysteine as Cys-206. Modeling studies suggest that this residue is on the subunit surface, 25-30 A from the active site. Mutation of Cys-206 to serine (C206S), or of Gly-207 to alanine (E207A), weakened NADH binding and inhibition; when these mutations were present together, NADH binding was weaker by 18-fold and inhibition by 250-fold. The mutations also had small effects on substrate binding at the active site. Cys-206 of wild type enzyme and of the mutant E207A was alkylated with 1,1,1-trifluorobromoacetone and the environment of the fluorine nuclei studied by 19F NMR. With wild type enzyme, the NMR spectrum consisted of two peaks of about equal intensity but different line widths, at -8.65 ppm (line width 11.2 +/- 0.5 Hz) and -7.6 ppm (line width 57 +/- 4 Hz). As the labeled wild type citrate synthase was titrated with KCl, the narrow peak converted to the broad one. The same range of KCl concentrations was needed for this conversion as for the allosteric activation of E. coli citrate synthase. The E207A mutant gave the broader NMR peak almost exclusively. We propose that the fluorine label in wild type citrate synthase exists in two conformational states with different mobilities, exchanging slowly on the NMR time scale, and that treatment with KCl, or truncation of the Glu-207 side chain by mutagenesis, stabilizes one of these states. Consistent with this explanation is the finding that Cys-206 reacts more quickly with Ellman's reagent in the presence of KCl, and that this rate is faster yet in the E207A mutant.

Fermi LAT Detection of a GeV Flare from the Radio-Loud Narrow-Line Sy1 1H 0323+342

NASA Astrophysics Data System (ADS)

Carpenter, Bryce; Ojha, Roopesh

2013-08-01

The Large Area Telescope (LAT), one of the two instruments on the Fermi Gamma-ray Space Telescope, has observed increasing gamma-ray flux from a source positionally consistent with 1H 0323+342 (RA=03h24m41.1613s, Dec=+34d10m45.856s, J2000; Beasley et al. 2002, ApJS, 141, 13) at z= 0.061 (Marcha et al. 1996, MNRAS, 281, 425). This is the second nearest radio-loud Narrow-Line Seyfert 1 galaxy, a small and important class of gamma-ray loud AGN (Abdo et al.

Nuclear spin noise in NMR revisited

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

Ferrand, Guillaume; Luong, Michel; Huber, Gaspard

2015-09-07

The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a “bump” or as a “dip” superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurementsmore » validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima.« less

Effect of narrow band nonuniformity on unsteady heat up of water vapor under radiation-conduction combined heat transfer

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

Okamoto, Tatsuyuki; Tanaka, Tomohiro; Morimune, Atsushi

Effect of narrow band nonuniformity on unsteady heat up process of water vapor under radiation-conduction combined heat transfer is examined by comparing the result of numerical simulations with and without incorporation of narrow band nonuniformity. The authors propose a rational and comprehensive computational approach for incorporating the narrow band nonuniformity into numerical simulations of radiative heat transfer when the considered field is nonisothermal. Results of examination exhibited that the contribution of radiative heat transfer to the heat up rate of water vapor may be almost twice overestimated, if the narrow band nonuniformity effect is neglected. Separate analyses of radiative energymore » attributed to wall emission and gas emission clarified that the absorption of wall emission is overestimated and, on the contrary, the absorption of radiation energy emitted by water vapor itself is underestimated if the narrow band nonuniformity is neglected. The reason why such over- or under-estimation is induced is understood by examining the influence of line overlap parameter on the transmittance averaged within a narrow band. Smaller value of line overlap parameter {gamma}/d means more violent narrow band nonuniformity. The broken lines show the narrow band transmittance for flat incident power spectrum, and the solid lines show that for the radiative emission from the absorbing gas itself. It is also clarified that the disregard of the narrow band nonuniformity give rise to serious error in the estimation of absorption rate of wall and gas emission even in the case where the disregard of narrow band nonuniformity bring little change to the temperature distribution. The results illustrated in this paper suggest that the narrow band nonuniformity should not be neglected.« less

Numerical Study on Outflows in Seyfert Galaxies I: Narrow Line Region Outflows in NGC 4151

NASA Astrophysics Data System (ADS)

Mou, Guobin; Wang, Tinggui; Yang, Chenwei

2017-07-01

The origin of narrow line region (NLR) outflows remains unknown. In this paper, we explore the scenario in which these outflows are circumnuclear clouds driven by energetic accretion disk winds. We choose the well-studied nearby Seyfert galaxy NGC 4151 as an example. By performing 3D hydrodynamical simulations, we are able to reproduce the radial distributions of velocity, mass outflow rate, and kinetic luminosity of NLR outflows in the inner 100 pc deduced from spatial resolved spectroscopic observations. The demanded kinetic luminosity of disk winds is about two orders of magnitude higher than that inferred from the NLR outflows, but is close to the ultrafast outflows (UFO) detected in the X-ray spectrum and a few times lower than the bolometric luminosity of the Seyfert. Our simulations imply that the scenario is viable for NGC 4151. The existence of the underlying disk winds can be confirmed by their impacts on higher density ISM, e.g., shock excitation signs, and the pressure in NLR.

Narrow-line laser cooling by adiabatic transfer

NASA Astrophysics Data System (ADS)

Norcia, Matthew A.; Cline, Julia R. K.; Bartolotta, John P.; Holland, Murray J.; Thompson, James K.

2018-02-01

We propose and demonstrate a novel laser cooling mechanism applicable to particles with narrow-linewidth optical transitions. By sweeping the frequency of counter-propagating laser beams in a sawtooth manner, we cause adiabatic transfer back and forth between the ground state and a long-lived optically excited state. The time-ordering of these adiabatic transfers is determined by Doppler shifts, which ensures that the associated photon recoils are in the opposite direction to the particle’s motion. This ultimately leads to a robust cooling mechanism capable of exerting large forces via a weak transition and with reduced reliance on spontaneous emission. We present a simple intuitive model for the resulting frictional force, and directly demonstrate its efficacy for increasing the total phase-space density of an atomic ensemble. We rely on both simulation and experimental studies using the 7.5 kHz linewidth 1S0 to 3P1 transition in 88Sr. The reduced reliance on spontaneous emission may allow this adiabatic sweep method to be a useful tool for cooling particles that lack closed cycling transitions, such as molecules.

Zone lines

Treesearch

Kevin T. Smith

2001-01-01

Zone lines are narrow, usually dark markings formed in decaying wood. Zone lines are found most frequently in advanced white rot of hardwoods, although they occasionally are associated both with brown rot and with softwoods.

Narrow-band filters for the lightning imager

NASA Astrophysics Data System (ADS)

Piegari, Angela; Di Sarcina, Ilaria; Grilli, Maria Luisa; Menchini, Francesca; Scaglione, Salvatore; Sytchkova, Anna; Zola, Danilo; Cuevas, Leticia P.

2017-11-01

The study of lightning phenomena will be carried out by a dedicated instrument, the lightning imager, that will make use of narrow-band transmission filters for separating the Oxygen emission lines in the clouds, from the background signal. The design, manufacturing and testing of these optical filters will be described here.

Ultra-thin narrow-band, complementary narrow-band, and dual-band metamaterial absorbers for applications in the THz regime

NASA Astrophysics Data System (ADS)

Astorino, Maria Denise; Frezza, Fabrizio; Tedeschi, Nicola

2017-02-01

In this paper, ultra-thin narrow-band, complementary narrow-band, and dual-band metamaterial absorbers (MMAs), exploiting the same electric ring resonator configuration, are investigated at normal and oblique incidence for both transverse electric (TE) and transverse magnetic (TM) polarizations, and with different physical properties in the THz regime. In the analysis of the ultra-thin narrow-band MMA, the limit of applicability of the transmission line model has been overcome with the introduction of a capacitance which considers the z component of the electric field. These absorbing structures have shown a wide angular response and a polarization-insensitive behavior due to the introduction of a conducting ground plane and to the four-fold rotational symmetry of the resonant elements around the propagation axis. We have adopted a retrieval procedure to extract the effective electromagnetic parameters of the proposed MMAs and we have compared the simulated and analytical results through the interference theory.

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

PubMed

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

2013-12-02

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

27 Al MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields

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

Hu, Jian Zhi; Wan, Chuan; Vjunov, Aleksei

27Al single pulse (SP) MAS NMR spectra of HBEA zeolites with high Si/Al ratios of 71 and 75 were obtained at three magnetic field strengths of 7.05, 11.75 and 19.97 T. High field 27Al MAS NMR spectra acquired at 19.97 T show significantly improved spectral resolution, resulting in at least two well-resolved tetrahedral-Al NMR peaks. Based on the results obtained from 27Al MAS and MQMAS NMR acquired at 19.97 T, four different quadrupole peaks are used to deconvolute the 27Al SP MAS spectra acquired at vari-ous fields by using the same set of quadrupole coupling constants, asymmetric parameters and relativemore » integrated peak intensities for the tetrahedral Al peaks. The line shapes of individual peaks change from typical quadrupole line shape at low field to essentially symmetrical line shapes at high field. We demonstrate that for fully hydrated HBEA zeolites the effect of second order quadrupole interaction can be ignored and quantitative spectral analysis can be performed by directly fitting the high field spectra using mixed Gaussian/Lorentzian line shapes. Also, the analytical steps described in our work allow direct assignment of spectral intensity to individual Al tetrahedral sites (T-sites) of zeolite HBEA. Finally, the proposed concept is suggested generally applicable to other zeo-lite framework types, thus, allowing a direct probing of Al distributions by NMR spectroscopic methods in zeolites with high confi-dence.« less

Observation of the spin-orbit components of the 3B 2g( 3A 2g) ground state in the system Ni 2+:MgF 2 by fluorescence line narrowing

NASA Astrophysics Data System (ADS)

Tonucci, R. J.; Jacobsen, S. M.; Yen, W. M.

1990-10-01

Using a tunable narrow-band infrared laser, we demonstrate for the first time infrared-fluorescnece line narrowing in the system Ni 2+:MgF 2. High-resolution emission spectra were obtained by pumping the lowest spin-orbit component B 3 ( 3T 2g) (orthorhombic notation with octahedral notation in parentheses) of the 3T 2g multiplet and observing the B 3( 3T 2g)→B 1, A, B 2( 3A 2g) luminescent transitions at low temperature. By tuning the narrow-band laser over the B 3( 3T 2g) band, resonant and non-resonant fluorescence were obtained which narrowed with respect to the inhomogeneously broadened profile, and additional lines were observed. The spectra can be understood in terms of a simultaneous excitation of two different subsets of Ni 2+ ions which have their B 2( 3A 2g)→B 3( 3T 2g) and A( 3A 2g)→B 3( 3T 2g) transitions in resonance with the laser. The A( 3A 2g) and B 1( 3A 2g) spin-orbit components of the ground-state multiplet lie 1.9 cm -1 and 6.5 cm -1 above the B 2( 3A 2g) ground state, respectively, at 2 K.

jsNMR: an embedded platform-independent NMR spectrum viewer.

PubMed

Vosegaard, Thomas

2015-04-01

jsNMR is a lightweight NMR spectrum viewer written in JavaScript/HyperText Markup Language (HTML), which provides a cross-platform spectrum visualizer that runs on all computer architectures including mobile devices. Experimental (and simulated) datasets are easily opened in jsNMR by (i) drag and drop on a jsNMR browser window, (ii) by preparing a jsNMR file from the jsNMR web site, or (iii) by mailing the raw data to the jsNMR web portal. jsNMR embeds the original data in the HTML file, so a jsNMR file is a self-transforming dataset that may be exported to various formats, e.g. comma-separated values. The main applications of jsNMR are to provide easy access to NMR data without the need for dedicated software installed and to provide the possibility to visualize NMR spectra on web sites. Copyright © 2015 John Wiley & Sons, Ltd.

High-throughput microcoil NMR of compound libraries using zero-dispersion segmented flow analysis.

PubMed

Kautz, Roger A; Goetzinger, Wolfgang K; Karger, Barry L

2005-01-01

An automated system for loading samples into a microcoil NMR probe has been developed using segmented flow analysis. This approach enhanced 2-fold the throughput of the published direct injection and flow injection methods, improved sample utilization 3-fold, and was applicable to high-field NMR facilities with long transfer lines between the sample handler and NMR magnet. Sample volumes of 2 microL (10-30 mM, approximately 10 microg) were drawn from a 96-well microtiter plate by a sample handler, then pumped to a 0.5-microL microcoil NMR probe as a queue of closely spaced "plugs" separated by an immiscible fluorocarbon fluid. Individual sample plugs were detected by their NMR signal and automatically positioned for stopped-flow data acquisition. The sample in the NMR coil could be changed within 35 s by advancing the queue. The fluorocarbon liquid wetted the wall of the Teflon transfer line, preventing the DMSO samples from contacting the capillary wall and thus reducing sample losses to below 5% after passage through the 3-m transfer line. With a wash plug of solvent between samples, sample-to-sample carryover was <1%. Significantly, the samples did not disperse into the carrier liquid during loading or during acquisitions of several days for trace analysis. For automated high-throughput analysis using a 16-second acquisition time, spectra were recorded at a rate of 1.5 min/sample and total deuterated solvent consumption was <0.5 mL (1 US dollar) per 96-well plate.

Natural abundant (17) O NMR in a 1.5-T Halbach magnet.

PubMed

Sørensen, Morten K; Bakharev, Oleg N; Jensen, Ole; Nielsen, Niels Chr

2016-06-01

We present mobile, low-field (17) O NMR as a means for monitoring oxygen in liquids. Whereas oxygen is one of the most important elements, oxygen NMR is limited by a poor sensitivity related to low natural abundance and gyro-magnetic ratio of the NMR active (17) O isotope. Here, we demonstrate (17) O NMR detection at a Larmor frequency of 8.74 MHz in a 1.5-T Halbach neodymium magnet with a home-built digital NMR instrument suitable for large-scale production and in-line monitoring applications. The proposed (17) O NMR sensor may be applied for direct, noninvasive measurements of water content in, for example, oil, manure, or food in automated quality or process control. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

(14)N overtone transition in double rotation solid-state NMR.

PubMed

Haies, Ibraheem M; Jarvis, James A; Brown, Lynda J; Kuprov, Ilya; Williamson, Philip T F; Carravetta, Marina

2015-10-07

Solid-state NMR transitions involving outer energy levels of the spin-1 (14)N nucleus are immune, to first order in perturbation theory, to the broadening caused by the nuclear quadrupole interaction. The corresponding overtone spectra, when acquired in conjunction with magic-angle sample spinning, result in lines, which are just a few kHz wide, permitting the direct detection of nitrogen compounds without the need for labeling. Despite the success of this technique, "overtone" resonances are still broadened due to indirect, second order effects arising from the large quadrupolar interaction. Here we demonstrate that another order of magnitude in spectral resolution may be gained by using double rotation. This brings the width of the (14)N solid-state NMR lines much closer to the region commonly associated with high-resolution solid-state NMR spectroscopy of (15)N and demonstrates the improvements in resolution that may be possible through the development of pulsed methodologies to suppress these second order effects.

Numerical Study on Outflows in Seyfert Galaxies I: Narrow Line Region Outflows in NGC 4151

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

Mou, Guobin; Wang, Tinggui; Yang, Chenwei, E-mail: gbmou@ustc.edu.cn

The origin of narrow line region (NLR) outflows remains unknown. In this paper, we explore the scenario in which these outflows are circumnuclear clouds driven by energetic accretion disk winds. We choose the well-studied nearby Seyfert galaxy NGC 4151 as an example. By performing 3D hydrodynamical simulations, we are able to reproduce the radial distributions of velocity, mass outflow rate, and kinetic luminosity of NLR outflows in the inner 100 pc deduced from spatial resolved spectroscopic observations. The demanded kinetic luminosity of disk winds is about two orders of magnitude higher than that inferred from the NLR outflows, but ismore » close to the ultrafast outflows (UFO) detected in the X-ray spectrum and a few times lower than the bolometric luminosity of the Seyfert. Our simulations imply that the scenario is viable for NGC 4151. The existence of the underlying disk winds can be confirmed by their impacts on higher density ISM, e.g., shock excitation signs, and the pressure in NLR.« less

The radio structure of the peculiar narrow-line Seyfert 1 galaxy candidate J1100+4421

NASA Astrophysics Data System (ADS)

Gabányi, K. É.; Frey, S.; Paragi, Z.; Järvelä, E.; Morokuma, T.; An, T.; Tanaka, M.; Tar, I.

2018-01-01

Narrow-line Seyfert 1 galaxies (NLS1) are an intriguing subclass of active galactic nuclei. Their observed properties indicate low central black hole mass and high accretion rate. The extremely radio-loud NLS1 sources often show relativistic beaming and are usually regarded as younger counterparts of blazars. Recently, the object SDSS J110006.07+442144.3 was reported as a candidate NLS1 source. The characteristics of its dramatic optical flare indicated its jet-related origin. The spectral energy distribution of the object was similar to that of the γ-ray detected radio-loud NLS1, PMN J0948+0022. Our high-resolution European very long baseline interferometry network observations at 1.7 and 5 GHz revealed a compact core feature with a brightness temperature of ≳1010 K. Using the lowest brightness temperature value and assuming a moderate Lorentz factor of ∼9, the jet viewing angle is ≲26°. Archival Very Large Array data show a large-scale radio structure with a projected linear size of ∼150 kpc reminiscent of double-sided morphology.

The first γ-ray detection of the narrow-line Seyfert 1 FBQS J1644+2619

DOE PAGES

D'Ammando, F.; Orienti, M.; Larsson, J.; ...

2015-07-06

Here, we report the discovery of γ-ray emission from the narrow-line Seyfert 1 (NLSy1) galaxy FBQS J1644+2619 by the Large Area Telescope on board the Fermi satellite. The Third Fermi LAT Source catalogue reports an unidentified γ-ray source, detected over the first four years of Fermi operation, 0.°23 from the radio position of the NLSy1. Analysing 76 months of γ-ray data (2008 August 4–2014 December 31) we are able to better constrain the localization of the γ-ray source. The new position of the γ- ray source is 0.°05 from FBQS J1644+2619, suggesting a spatial association with the NLSy1. This ismore » the sixth NLSy1 detected at high significance by Fermi-LAT so far. Notably, a significant increase of activity was observed in γ-rays from FBQS J1644+2619 during 2012 July–October, and an increase of activity in V -band was detected by the Catalina Real-Time Sky Survey in the same period.« less

The first γ-ray detection of the narrow-line Seyfert 1 FBQS J1644+2619

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.; Larsson, J.; Giroletti, M.

2015-09-01

We report the discovery of γ-ray emission from the narrow-line Seyfert 1 (NLSy1) galaxy FBQS J1644+2619 by the Large Area Telescope on board the Fermi satellite. The Third Fermi LAT Source catalogue reports an unidentified γ-ray source, detected over the first four years of Fermi operation, 0.23° from the radio position of the NLSy1. Analysing 76 months of γ-ray data (2008 August 4-2014 December 31) we are able to better constrain the localization of the γ-ray source. The new position of the γ-ray source is 0.05° from FBQS J1644+2619, suggesting a spatial association with the NLSy1. This is the sixth NLSy1 detected at high significance by Fermi-LAT so far. Notably, a significant increase of activity was observed in γ-rays from FBQS J1644+2619 during 2012 July-October, and an increase of activity in the V band was detected by the Catalina Real-Time Sky Survey in the same period.

Observation of soft X-ray spectra from a Seyfert 1 and a narrow emission-line galaxy

NASA Technical Reports Server (NTRS)

Singh, K. P.; Garmire, G. P.; Nousek, J.

1985-01-01

The 0.2-40 keV X-ray spectra of the Seyfert 1 galaxy Mrk 509 and the narrow emission-line galaxy NGC 2992 are analyzed. The results suggest the presence of a steep soft X-ray component in Mrk 509 in addition to the well-known Gamma = 1.7 component found in other active galactic nuclei in the 2-40 keV energy range. The soft X-ray component is interpreted as due to thermal emission from a hot gas, probably associated with the highly ionized gas observed to be outflowing from the galaxy. The X-ray spectrum of NGC 2992 does not show any steepening in the soft X-ray band and is consistent with a single power law (Gamma = 1.78) with very low absorbing column density of 4 x 10 to the 21st/sq cm. A model with partial covering of the nuclear X-ray source is preferred, however, to a simple model with a single power law and absorption.

Monitoring Cocrystal Formation via In Situ Solid-State NMR.

PubMed

Mandala, Venkata S; Loewus, Sarel J; Mehta, Manish A

2014-10-02

A detailed understanding of the mechanism of organic cocrystal formation remains elusive. Techniques that interrogate a reacting system in situ are preferred, though experimentally challenging. We report here the results of a solid-state in situ NMR study of the spontaneous formation of a cocrystal between a pharmaceutical mimic (caffeine) and a coformer (malonic acid). Using (13)C magic angle spinning NMR, we show that the formation of the cocrystal may be tracked in real time. We find no direct evidence for a short-lived, chemical shift-resolved amorphous solid intermediate. However, changes in the line width and line center of the malonic acid methylene resonance, in the course of the reaction, provide subtle clues to the mode of mass transfer that underlies cocrystal formation.

Targeted Molecular Imaging of Cancer Cells Using MS2-Based 129 Xe NMR

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

Jeong, Keunhong; Netirojjanakul, Chawita; Munch, Henrik K.

Targeted, selective, and highly sensitive 129Xe NMR nanoscale biosensors have been synthesized using a spherical MS2 viral capsid, Cryptophane A molecules, and DNA aptamers. The biosensors showed strong binding specificity toward targeted lymphoma cells (Ramos line). Hyperpolarized 129Xe NMR signal contrast and hyper-CEST 129Xe MRI image contrast indicated its promise as highly sensitive hyperpolarized 129Xe NMR nanoscale biosensor for future applications in cancer detection in vivo.

A TALE OF TWO NARROW-LINE REGIONS: IONIZATION, KINEMATICS, AND SPECTRAL ENERGY DISTRIBUTIONS FOR A LOCAL PAIR OF MERGING OBSCURED ACTIVE GALAXIES

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

Hainline, Kevin N.; Hickox, Ryan C.; Chen, Chien-Ting

2016-05-20

We explore the gas ionization and kinematics, as well as the optical-IR spectral energy distributions for UGC 11185, a nearby pair of merging galaxies hosting obscured active galactic nuclei (AGNs), also known as SDSS J181611.72+423941.6 and J181609.37+423923.0 (J1816NE and J1816SW, z ≈ 0.04). Due to the wide separation between these interacting galaxies (∼23 kpc), observations of these objects provide a rare glimpse of the concurrent growth of supermassive black holes at an early merger stage. We use BPT line diagnostics to show that the full extent of the narrow-line emission in both galaxies is photoionized by an AGN, and confirmmore » the existence of a 10 kpc-scale ionization cone in J1816NE, while in J1816SW the AGN narrow-line region is much more compact (1–2 kpc) and relatively undisturbed. Our observations also reveal the presence of ionized gas that nearly spans the entire distance between the galaxies, which is likely in a merger-induced tidal stream. In addition, we carry out a spectral analysis of the X-ray emission using data from XMM-Newton . These galaxies represent a useful pair to explore how the [O iii] luminosity of an AGN is dependent on the size of the region used to explore the extended emission. Given the growing evidence for AGN “flickering” over short timescales, we speculate that the appearances and impacts of these AGNs may change multiple times over the course of the galaxy merger, which is especially important given that these objects are likely the progenitors of the types of systems commonly classified as “dual AGNs.”.« less

27Al-NMR studies of the structural phase transition in LaPd2Al2

NASA Astrophysics Data System (ADS)

Aoyama, Taisuke; Kobayashi, Fumiaki; Kotegawa, Hisashi; Tou, Hideki; Doležal, Petr; Kriegner, Dominik; Javorský, Pavel; Uhlířová, Klára

2018-05-01

We performed 27Al-NMR measurements for the CaBe2Ge2 type single crystalline LaPd2Al2 in the temperature range from 100 K to 5 K to investigate the origin of the structural phase transition. We found that the line profile of the 27Al-NMR spectrum does not change entirely on passing through the structural phase transition at Tst. Meanwhile, the peak position of the central line slightly change (≈ 30 ppm) below 70 K, suggesting the orbital shift changes below Tst. The present 27Al-NMR studies evidence that the local electronic state at Al site is hardly affected by the structural phase transition.

SBS 0846+513: a New Gamma-ray Emitting Narrow-line Seyfert 1 Galaxy

NASA Technical Reports Server (NTRS)

D'Ammando, F.; Orienti, M.; Finke, J.; Raiteri, C. M.; Angelakis, E.; Fuhrmann, L.; Giroletti, M.; Hovatta, T.; Max-Moerbeck, W.; Perkins, J. S.;

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media

NASA Technical Reports Server (NTRS)

Mair, R. W.; Sen, P. N.; Hurlimann, M. D.; Patz, S.; Cory, D. G.; Walsworth, R. L.

2002-01-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media.

PubMed

Mair, R W; Sen, P N; Hürlimann, M D; Patz, S; Cory, D G; Walsworth, R L

2002-06-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Padé approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Padé interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Padé length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

Linewidth narrowing for 31Phosphorus MRI of cell membranes

NASA Astrophysics Data System (ADS)

Barrett, Sean; Frey, Merideth; Madri, Joseph; Michaud, Michael

2011-03-01

Most 31 P Magnetic Resonance Spectroscopy studies of tissues try to avoid contamination by a relatively large, but broad, spectral feature attributed to cell membrane phospholipids. MRI using this broad 31 P membrane spectrum is not even attempted, since the spatial resolution and signal-to-noise would be poor, relative to conventional MRI using the narrow 1 H water spectrum. This long-standing barrier has been overcome by a novel pulse sequence, recently discovered in fundamental quantum computation research, which narrows the broad 31 P spectrum by ~ 1000 × . Applying time-dependent gradients in synch with a repeating pulse block enables a new route to high spatial resolution, 3D 31 P MRI of the soft solid components of cells and tissues. So far, intact and sectioned samples of ex vivo fixed mouse organs have been imaged, with (sub-mm)3 voxels. Extending the reach of MRI to broad spectra in natural and artificial tissues opens a new window into cells, enabling progress in biomedical research. W.J. Thoma et al., J. MR 61, 141 (1985); E.J. Murphy et al., MR Med 12, 282 (1989); R. McNamara et al., NMR Biomed 7, 237 (1994).

Cytotoxic Effects of Sarcophyton sp. Soft Corals—Is There a Correlation to Their NMR Fingerprints?

PubMed Central

Farag, Mohamed A.; Fekry, Mostafa I.; Al-Hammady, Montasser A.; Khalil, Mohamed N.; El-Seedi, Hesham R.; Meyer, Achim; Westphal, Hildegard; Wessjohann, Ludger A.

2017-01-01

Sarcophyton sp. soft corals are rich in cembranoid diterpenes, which represent the main chemical defense of corals against their natural predators in addition to their myriad biological effects in humans. Quantitative NMR (qNMR) was applied for assessing the diterpene variation in 16 soft coral specimens in the context of their genotype, origin, and growing habitat. qNMR revealed high diterpene levels in Sarcophyton sp. compared to Sinularia and Lobophyton, with (ent)sarcophines as major components (17–100 µg/mg) of the coral tissues. Multivariate data analysis was employed to classify samples based on the quantified level of diterpenes, and compared to the untargeted NMR approach. Results revealed that qNMR provided a stronger classification model of Sarcophyton sp. than untargeted NMR fingerprinting. Additionally, cytotoxicity of soft coral crude extracts was assessed against androgen-dependent prostate cancer cell lines (PC3) and androgen-independent colon cancer cell lines (HT-29), with IC50 values ranging from 10–60 µg/mL. No obvious correlation between the extracts’ IC50 values and their diterpene levels was found using either Spearman or Pearson correlations. This suggests that this type of bioactivity may not be easily predicted by NMR metabolomics in soft corals, or is not strongly correlated to measured diterpene levels. PMID:28677625

Cytotoxic Effects of Sarcophyton sp. Soft Corals-Is There a Correlation to Their NMR Fingerprints?

PubMed

Farag, Mohamed A; Fekry, Mostafa I; Al-Hammady, Montasser A; Khalil, Mohamed N; El-Seedi, Hesham R; Meyer, Achim; Porzel, Andrea; Westphal, Hildegard; Wessjohann, Ludger A

2017-07-04

Sarcophyton sp. soft corals are rich in cembranoid diterpenes, which represent the main chemical defense of corals against their natural predators in addition to their myriad biological effects in humans. Quantitative NMR (qNMR) was applied for assessing the diterpene variation in 16 soft coral specimens in the context of their genotype, origin, and growing habitat. qNMR revealed high diterpene levels in Sarcophyton sp. compared to Sinularia and Lobophyton , with (ent)sarcophines as major components (17-100 µg/mg) of the coral tissues. Multivariate data analysis was employed to classify samples based on the quantified level of diterpenes, and compared to the untargeted NMR approach. Results revealed that qNMR provided a stronger classification model of Sarcophyton sp. than untargeted NMR fingerprinting. Additionally, cytotoxicity of soft coral crude extracts was assessed against androgen-dependent prostate cancer cell lines (PC3) and androgen-independent colon cancer cell lines (HT-29), with IC 50 values ranging from 10-60 µg/mL. No obvious correlation between the extracts' IC 50 values and their diterpene levels was found using either Spearman or Pearson correlations. This suggests that this type of bioactivity may not be easily predicted by NMR metabolomics in soft corals, or is not strongly correlated to measured diterpene levels.

Perspective: next generation isotope-aided methods for protein NMR spectroscopy.

PubMed

Kainosho, Masatsune; Miyanoiri, Yohei; Terauchi, Tsutomu; Takeda, Mitsuhiro

2018-06-22

In this perspective, we describe our efforts to innovate the current isotope-aided NMR methodology to investigate biologically important large proteins and protein complexes, for which only limited structural information could be obtained by conventional NMR approaches. At the present time, it is widely believed that only backbone amide and methyl signals are amenable for investigating such difficult targets. Therefore, our primary mission is to disseminate our novel knowledge within the biological NMR community; specifically, that any type of NMR signals other than methyl and amide groups can be obtained, even for quite large proteins, by optimizing the transverse relaxation properties by isotope labeling methods. The idea of "TROSY by isotope labeling" has been cultivated through our endeavors aiming to improve the original stereo-array isotope labeling (SAIL) method (Kainosho et al., Nature 440:52-57, 2006). The SAIL TROSY methods subsequently culminated in the successful observations of individual NMR signals for the side-chain aliphatic and aromatic 13 CH groups in large proteins, as exemplified by the 82 kDa single domain protein, malate synthase G. Meanwhile, the expected role of NMR spectroscopy in the emerging integrative structural biology has been rapidly shifting, from structure determination to the acquisition of biologically relevant structural dynamics, which are poorly accessible by X-ray crystallography or cryo-electron microscopy. Therefore, the newly accessible NMR probes, in addition to the methyl and amide signals, will open up a new horizon for investigating difficult protein targets, such as membrane proteins and supramolecular complexes, by NMR spectroscopy. We briefly introduce our latest results, showing that the protons attached to 12 C-atoms give profoundly narrow 1 H-NMR signals even for large proteins, by isolating them from the other protons using the selective deuteration. The direct 1 H observation methods exhibit the highest

Demetalation of Fe, Mn, and Cu chelates and complexes: application to the NMR analysis of micronutrient fertilizers.

PubMed

López-Rayo, Sandra; Lucena, Juan J; Laghi, Luca; Cremonini, Mauro A

2011-12-28

The application of nuclear magnetic resonance (NMR) for the quality control of fertilizers based on Fe(3+), Mn(2+), and Cu(2+) chelates and complexes is precluded by the strong paramagnetism of metals. Recently, a method based on the use of ferrocyanide has been described to remove iron from commercial iron chelates based on the o,o-EDDHA [ethylenediamine-N,N'bis(2-hydroxyphenylacetic)acid] chelating agent for their analysis and quantification by NMR. The present work extended that procedure to other paramagnetic ions, manganese and copper, and other chelating, EDTA (ethylenediaminetetraacetic acid), IDHA [N-(1,2-dicarboxyethyl)-d,l-aspartic acid], and complexing agents, gluconate and heptagluconate. Results showed that the removal of the paramagnetic ions was complete, allowing us to obtain (1)H NMR spectra characterized by narrow peaks. The quantification of the ligands by NMR and high-performance liquid chromatography showed that their complete recovery was granted. The NMR analysis enabled detection and quantification of unknown impurities without the need of pure compounds as internal standards.

Spectral Engineering of Slow Light, Cavity Line Narrowing, and Pulse Compression

NASA Astrophysics Data System (ADS)

Sabooni, Mahmood; Li, Qian; Rippe, Lars; Mohan, R. Krishna; Kröll, Stefan

2013-11-01

More than 4 orders of magnitude of cavity-linewidth narrowing in a rare-earth-ion-doped crystal cavity, emanating from strong intracavity dispersion caused by off-resonant interaction with dopant ions, is demonstrated. The dispersion profiles are engineered using optical pumping techniques creating significant semipermanent but reprogrammable changes of the rare-earth absorption profiles. Several cavity modes are shown within the spectral transmission window. Several possible applications of this phenomenon are discussed.

Evidence for independent motional processes on the two interstitial sublattices of a layer-structured metal hydride: Hydrogen spin-lattice relaxation and motional narrowing in zirconium monohalide hemihydrides, ZrXH0.5

NASA Astrophysics Data System (ADS)

Hwang, T. Y.; Schoenberger, R. J.; Torgeson, D. R.; Barnes, R. G.

1983-01-01

We report the results of a proton-magnetic-resonance investigation of hydrogen location and motion in the hemihydrides ZrXH0.5 of the metallic layer-structured monohalides ZrX of zirconium (X=Br,Cl). Wide-line and pulsed NMR methods were employed to measure the temperature dependence of the linewidth and second moment and of the spin-lattice relaxation time in the laboratory and rotating frames. The results indicate that hydrogen forms an ordered structure on the tetrahedral (T) interstitial sublattice within the Zr metal bilayers, with some (small) random occupancy of octahedral (O) sites. Two stages of motional narrowing observed in the wide-line measurements and double minima found in the relaxation times are consistent with the occurrence of essentially independent hydrogen motional processes on the T and O interstitial sublattices. Hydrogen site occupancy probabilities, jump frequencies, activation energies for hydrogen diffusion, and conduction-electron contributions to the proton spin-lattice relaxation rate are deduced from the measurements.

Bayesian reconstruction of projection reconstruction NMR (PR-NMR).

PubMed

Yoon, Ji Won

2014-11-01

Projection reconstruction nuclear magnetic resonance (PR-NMR) is a technique for generating multidimensional NMR spectra. A small number of projections from lower-dimensional NMR spectra are used to reconstruct the multidimensional NMR spectra. In our previous work, it was shown that multidimensional NMR spectra are efficiently reconstructed using peak-by-peak based reversible jump Markov chain Monte Carlo (RJMCMC) algorithm. We propose an extended and generalized RJMCMC algorithm replacing a simple linear model with a linear mixed model to reconstruct close NMR spectra into true spectra. This statistical method generates samples in a Bayesian scheme. Our proposed algorithm is tested on a set of six projections derived from the three-dimensional 700 MHz HNCO spectrum of a protein HasA. Copyright © 2014 Elsevier Ltd. All rights reserved.

Measurement of Lipid Accumulation in Chlorella vulgaris via Flow Cytometry and Liquid-State ¹H NMR Spectroscopy for Development of an NMR-Traceable Flow Cytometry Protocol

PubMed Central

Bono Jr., Michael S.; Garcia, Ravi D.; Sri-Jayantha, Dylan V.; Ahner, Beth A.; Kirby, Brian J.

2015-01-01

In this study, we cultured Chlorella vulgaris cells with a range of lipid contents, induced via nitrogen starvation, and characterized them via flow cytometry, with BODIPY 505/515 as a fluorescent lipid label, and liquid-state 1H NMR spectroscopy. In doing so, we demonstrate the utility of calibrating flow cytometric measurements of algal lipid content using triacylglyceride (TAG, also known as triacylglycerol or triglyceride) content per cell as measured via quantitative 1H NMR. Ensemble-averaged fluorescence of BODIPY-labeled cells was highly correlated with average TAG content per cell measured by bulk NMR, with a linear regression yielding a linear fit with r 2 = 0.9974. This correlation compares favorably to previous calibrations of flow cytometry protocols to lipid content measured via extraction, and calibration by NMR avoids the time and complexity that is generally required for lipid quantitation via extraction. Flow cytometry calibrated to a direct measurement of TAG content can be used to investigate the distribution of lipid contents for cells within a culture. Our flow cytometry measurements showed that Chlorella vulgaris cells subjected to nitrogen limitation exhibited higher mean lipid content but a wider distribution of lipid content that overlapped the relatively narrow distribution of lipid content for replete cells, suggesting that nitrogen limitation induces lipid accumulation in only a subset of cells. Calibration of flow cytometry protocols using direct in situ measurement of TAG content via NMR will facilitate rapid development of more precise flow cytometry protocols, enabling investigation of algal lipid accumulation for development of more productive algal biofuel feedstocks and cultivation protocols. PMID:26267664

Measurement of lipid accumulation in Chlorella vulgaris via flow cytometry and liquid-state ¹H NMR spectroscopy for development of an NMR-traceable flow cytometry protocol.

PubMed

Bono, Michael S; Garcia, Ravi D; Sri-Jayantha, Dylan V; Ahner, Beth A; Kirby, Brian J

2015-01-01

In this study, we cultured Chlorella vulgaris cells with a range of lipid contents, induced via nitrogen starvation, and characterized them via flow cytometry, with BODIPY 505/515 as a fluorescent lipid label, and liquid-state 1H NMR spectroscopy. In doing so, we demonstrate the utility of calibrating flow cytometric measurements of algal lipid content using triacylglyceride (TAG, also known as triacylglycerol or triglyceride) content per cell as measured via quantitative 1H NMR. Ensemble-averaged fluorescence of BODIPY-labeled cells was highly correlated with average TAG content per cell measured by bulk NMR, with a linear regression yielding a linear fit with r2 = 0.9974. This correlation compares favorably to previous calibrations of flow cytometry protocols to lipid content measured via extraction, and calibration by NMR avoids the time and complexity that is generally required for lipid quantitation via extraction. Flow cytometry calibrated to a direct measurement of TAG content can be used to investigate the distribution of lipid contents for cells within a culture. Our flow cytometry measurements showed that Chlorella vulgaris cells subjected to nitrogen limitation exhibited higher mean lipid content but a wider distribution of lipid content that overlapped the relatively narrow distribution of lipid content for replete cells, suggesting that nitrogen limitation induces lipid accumulation in only a subset of cells. Calibration of flow cytometry protocols using direct in situ measurement of TAG content via NMR will facilitate rapid development of more precise flow cytometry protocols, enabling investigation of algal lipid accumulation for development of more productive algal biofuel feedstocks and cultivation protocols.

X-ray flux of the Narrow-Line Seyfert 1 galaxy WPVS 007 during a high UV flux state

NASA Astrophysics Data System (ADS)

Grupe, Dirk

2016-09-01

We request a short, 10ks, observation with Chandra ACIS-S of the highly X-ray variable Narrow Line Seyfert 1 Galaxy WPVS 007 quasi-simultaneously with HST between March 13 and 26. WPVS 007 is one of the most unusual AGN showing strong variabilty in broad absorption lines - a feature that is only seen in high-luminous quasars. We have monitored WPVS 007 since October 2005 with Swift, but we can typically not detect it in X-rays. Our last observation of WPVS 007 by Chandra in March 2015 when it was fount to be in an extremely low UV flux state (Leighgly et al. 2015) found it at a level of 8e-4 counts/s in ACIS-s corresponding to a flux in the 0.3-10 keV band of 1e-17 W/m2. Merging all Swift observaton since then (66ks) results in an 3sigma ul of 1.4e-17 W/m2. Obtaining a Chandra observation close to the HST observation will provide us with a crucial flux measurement that will allow us to determine the intrinsic luminosity of the AGN. Note, WPVS007 is currently at a bright UV state.

SBS 0846+513: a new γ-ray-emitting narrow-line Seyfert 1 galaxy

DOE PAGES

D'Ammando, F.; Orienti, M.; Finke, J.; ...

2012-10-11

In this paper, we report Fermi Large Area Telescope (LAT) observations of the radio-loud active galactic nucleus SBS 0846+513 (z = 0.5835), optically classified as a narrow-line Seyfert 1 galaxy, together with new and archival radio-to-X-ray data. The source was not active at γ-ray energies during the first two years of Fermi operation. A significant increase in activity was observed during 2010 October–2011 August. In particular, a strong γ-ray flare was observed in 2011 June reaching an isotropic γ-ray luminosity (0.1–300 GeV) of 1.0 × 10 48 erg s -1, comparable to that of the brightest flat spectrum radio quasars,more » and showing spectral evolution in γ rays. An apparent superluminal velocity of (8.2 ± 1.5)c in the jet was inferred from 2011 to 2012 Very Long Baseline Array (VLBA) images, suggesting the presence of a highly relativistic jet. Finally, both the power released by this object during the flaring activity and the apparent superluminal velocity are strong indications of the presence of a relativistic jet as powerful as those of blazars. In addition, variability and spectral properties in radio and γ-ray bands indicate blazar-like behaviour, suggesting that, except for some distinct optical characteristics, SBS 0846+513 could be considered as a young blazar at the low end of the blazar's black hole mass distribution.« less

Why Hart found narrow ecospheres--a minor science mystery solved.

PubMed

Levenson, Barton Paul

2015-05-01

To explain why two NASA computer simulation studies in the 1970s (Hart, 1978 , 1979 ) briefly rocked the subfield of astrobiology and SETI studies by showing very narrow habitable zones (HZs) for solar-type stars. Although other studies later supported wider HZs, it was never clear why the Hart simulations found the narrow limits they did. Investigation of the state of climate studies and radiative transfer models in the period 1960-1970 provides a likely explanation. Hart's findings were in line with earlier results, preventing him from noticing that his radiation model was inadequate.

Type Ia supernovae with and without blueshifted narrow Na I D lines - how different is their structure?

NASA Astrophysics Data System (ADS)

Hachinger, S.; Röpke, F. K.; Mazzali, P. A.; Gal-Yam, A.; Maguire, K.; Sullivan, M.; Taubenberger, S.; Ashall, C.; Campbell, H.; Elias-Rosa, N.; Feindt, U.; Greggio, L.; Inserra, C.; Miluzio, M.; Smartt, S. J.; Young, D.

2017-10-01

In studies on intermediate- and high-resolution spectra of Type Ia supernovae (SNe Ia), some objects exhibit narrow Na I D absorptions often blueshifted with respect to the rest wavelength within the host galaxy. The absence of these in other SNe Ia may reflect that the explosions have different progenitors: blueshifted Na I D features might be explained by the outflows of 'single-degenerate' systems (binaries of a white dwarf with a non-degenerate companion). In this work, we search for systematic differences among SNe Ia for which the Na I D characteristics have been clearly established in previous studies. We perform an analysis of the chemical abundances in the outer ejecta of 13 'spectroscopically normal' SNe Ia (five of which show blueshifted Na lines), modelling time series of photospheric spectra with a radiative-transfer code. We find only moderate differences between 'blueshifted-Na', 'redshifted-Na' and 'no-Na' SNe Ia, so that we can neither conclusively confirm a 'one-scenario' nor a 'two-scenario' theory for normal SNe Ia. Yet, some of the trends we see should be further studied using larger observed samples: models for blueshifted-Na SNe tend to show higher photospheric velocities than no-Na SNe, corresponding to a higher opacity of the envelope. Consistently, blueshifted-Na SNe show hints of a somewhat larger iron-group content in the outer layers with respect to the no-Na subsample (and also to the redshifted-Na subsample). This agrees with earlier work where it was found that the light curves of no-Na SNe - often appearing in elliptical galaxies - are narrower, that is, decline more rapidly.

Solid-state NMR covariance of homonuclear correlation spectra.

PubMed

Hu, Bingwen; Amoureux, Jean-Paul; Trebosc, Julien; Deschamps, Michael; Tricot, Gregory

2008-04-07

Direct covariance NMR spectroscopy, which does not involve a Fourier transformation along the indirect dimension, is demonstrated to obtain homonuclear correlation two-dimensional (2D) spectra in the solid state. In contrast to the usual 2D Fourier transform (2D-FT) NMR, in a 2D covariance (2D-Cov) spectrum the spectral resolution in the indirect dimension is determined by the resolution along the detection dimension, thereby largely reducing the time-consuming indirect sampling requirement. The covariance method does not need any separate phase correction or apodization along the indirect dimension because it uses those applied in the detection dimension. We compare in detail the specifications obtained with 2D-FT and 2D-Cov, for narrow and broad resonances. The efficiency of the covariance data treatment is demonstrated in organic and inorganic samples that are both well crystallized and amorphous, for spin -1/2 nuclei with 13C, 29Si, and 31P through-space or through-bond homonuclear 2D correlation spectra. In all cases, the experimental time has been reduced by at least a factor of 10, without any loss of resolution and signal to noise ratio, with respect to what is necessary with the 2D-FT NMR. According to this method, we have been able to study the silicate network of glasses by 2D NMR within reasonable experimental time despite the very long relaxation time of the 29Si nucleus. The main limitation of the 2D-Cov data treatment is related to the introduction of autocorrelated peaks onto the diagonal, which does not represent any actual connectivity.

Magnetic properties and hyperfine interactions in Cr{sub 8}, Cr{sub 7}Cd, and Cr{sub 7}Ni molecular rings from {sup 19}F-NMR

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

Bordonali, L.; Borsa, F.; Consorzio INSTM, Via Giusti 9, I-50121 Firenze

2014-04-14

A detailed experimental investigation of the {sup 19}F nuclear magnetic resonance is made on single crystals of the homometallic Cr{sub 8} antiferromagnetic molecular ring and heterometallic Cr{sub 7}Cd and Cr{sub 7}Ni rings in the low temperature ground state. Since the F{sup −} ion is located midway between neighboring magnetic metal ions in the ring, the {sup 19}F-NMR spectra yield information about the local electronic spin density and {sup 19}F hyperfine interactions. In Cr{sub 8}, where the ground state is a singlet with total spin S{sub T} = 0, the {sup 19}F-NMR spectra at 1.7 K and low external magnetic fieldmore » display a single narrow line, while when the magnetic field is increased towards the first level crossing field, satellite lines appear in the {sup 19}F-NMR spectrum, indicating a progressive increase in the Boltzmann population of the first excited state S{sub T} = 1. In the heterometallic rings, Cr{sub 7}Cd and Cr{sub 7}Ni, whose ground state is magnetic with S{sub T} = 3/2 and S{sub T} = 1/2, respectively, the {sup 19}F-NMR spectrum has a complicated structure which depends on the strength and orientation of the magnetic field, due to both isotropic and anisotropic transferred hyperfine interactions and classical dipolar interactions. From the {sup 19}F-NMR spectra in single crystals we estimated the transferred hyperfine constants for both the F{sup −}-Ni{sup 2+} and the F{sup −}-Cd{sup 2+} bonds. The values of the hyperfine constants compare well to the ones known for F{sup −}-Ni{sup 2+} in KNiF{sub 3} and NiF{sub 2} and for F{sup −}-Cr{sup 3+} in K{sub 2}NaCrF{sub 6}. The results are discussed in terms of hybridization of the 2s, 2p orbitals of the F{sup −} ion and the d orbitals of the magnetic ion. Finally, we discuss the implications of our results for the electron-spin decoherence.« less

Interrogating Seyferts with NebulaBayes: Spatially Probing the Narrow-line Region Radiation Fields and Chemical Abundances

NASA Astrophysics Data System (ADS)

Thomas, Adam D.; Dopita, Michael A.; Kewley, Lisa J.; Groves, Brent A.; Sutherland, Ralph S.; Hopkins, Andrew M.; Blanc, Guillermo A.

2018-04-01

NebulaBayes is a new Bayesian code that implements a general method of comparing observed emission-line fluxes to photoionization model grids. The code enables us to extract robust, spatially resolved measurements of abundances in the extended narrow-line regions (ENLRs) produced by Active Galactic Nuclei (AGN). We observe near-constant ionization parameters but steeply radially declining pressures, which together imply that radiation pressure regulates the ENLR density structure on large scales. Our sample includes four “pure Seyfert” galaxies from the S7 survey that have extensive ENLRs. NGC 2992 shows steep metallicity gradients from the nucleus into the ionization cones. An inverse metallicity gradient is observed in ESO 138-G01, which we attribute to a recent gas inflow or minor merger. A uniformly high metallicity and hard ionizing continuum are inferred across the ENLR of Mrk 573. Our analysis of IC 5063 is likely affected by contamination from shock excitation, which appears to soften the inferred ionizing spectrum. The peak of the ionizing continuum E peak is determined by the nuclear spectrum and the absorbing column between the nucleus and the ionized nebula. We cannot separate variation in this intrinsic E peak from the effects of shock or H II region contamination, but E peak measurements nevertheless give insights into ENLR excitation. We demonstrate the general applicability of NebulaBayes by analyzing a nuclear spectrum from the non-active galaxy NGC 4691 using a H II region grid. The NLR and H II region model grids are provided with NebulaBayes for use by the astronomical community.

Operating nanoliter scale NMR microcoils in a 1 tesla field.

PubMed

McDowell, Andrew F; Adolphi, Natalie L

2007-09-01

Microcoil probes enclosing sample volumes of 1.2, 3.3, 7.0, and 81 nanoliters are constructed as nuclear magnetic resonance (NMR) detectors for operation in a 1 tesla permanent magnet. The probes for the three smallest volumes utilize a novel auxiliary tuning inductor for which the design criteria are given. The signal-to-noise ratio (SNR) and line width of water samples are measured. Based on the measured DC resistance of the microcoils, together with the calculated radio frequency (RF) resistance of the tuning inductor, the SNR is calculated and shown to agree with the measured values. The details of the calculations indicate that the auxiliary inductor does not degrade the NMR probe performance. The diameter of the wire used to construct the microcoils is shown to affect the signal line widths.

On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

PubMed

Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

2015-06-02

An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

A narrow-band injection-seeded pulsed titanium:sapphire oscillator-amplifier system with on-line chirp analysis for high-resolution spectroscopy.

PubMed

Hannemann, S; van Duijn, E-J; Ubachs, W

2007-10-01

A narrow-band tunable injection-seeded pulsed titanium:sapphire laser system has been developed for application in high-resolution spectroscopic studies at the fundamental wavelengths in the near infrared as well as in the ultraviolet, deep ultraviolet, and extreme ultraviolet after upconversion. Special focus is on the quantitative assessment of the frequency characteristics of the oscillator-amplifier system on a pulse-to-pulse basis. Frequency offsets between continuous-wave seed light and the pulsed output are measured as well as linear chirps attributed mainly to mode pulling effects in the oscillator cavity. Operational conditions of the laser are found in which these offset and chirp effects are minimal. Absolute frequency calibration at the megahertz level of accuracy is demonstrated on various atomic and molecular resonance lines.

An NMR Study of Microvoids in Polymers

NASA Technical Reports Server (NTRS)

Toy, James; Mattrix, Larry

1996-01-01

An understanding of polymer defect structures, like microvoids in polymeric matrices, is most crucial to their fabrication and application potential. In this project guest atoms are introduced into the microvoids in PMR-15 and NMR is used to determine microvoid sizes and locations. Xenon is a relatively inert probe that would normally not be found naturally in polymer or in NMR probe materials. There are two NMR active Xenon isotopes, Xe-129 and Xe-131. The Xe atom has a very high polarizability, which makes it sensitive to the intracrystalline environment of polymers. Interactions between the Xe atoms and the host matrix perturb and Xe electron cloud, deshielding the nuclei, and thereby expanding the range of the observed NMR chemical shifts. This chemical shift range which may be as large as 5000 ppm, permits subtle structural and chemical effects to be studied with high sensitivity. The Xe-129-NMR line shape has been found to vary in response to changes in the pore symmetry of the framework hosts in Zeolites and Clathrasil compounds. Before exposure to Xe gas, the PMR-15 samples were dried in a vacuum oven at 150 C for 48 hours. The samples were then exposed to Xe gas at 30 psi for 72 hours and sealed in glass tubes with 1 atmosphere of Xenon gas. Xenon gas at 1 atmosphere was used to tune up the spectrometer and to set up the appropriate NMR parameters. A series of spectra were obtained interspersed with applications of vacuum and heating to drive out the adsorbed Xe and determine the role of Xe-Xe interactions in the observed chemical shift.

The awakening of the γ-ray narrow-line Seyfert 1 galaxy PKS 1502+036

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Orienti, M.; Finke, J.; Hovatta, T.; Giroletti, M.; Max-Moerbeck, W.; Pearson, T. J.; Readhead, A. C. S.; Reeves, R. A.; Richards, J. L.

2016-12-01

After a long low-activity period, a γ-ray flare from the narrow-line Seyfert 1 PKS 1502+036 (z = 0.4089) was detected by the Large Area Telescope (LAT) on board Fermi in 2015. On 2015 December 20, the source reached a daily peak flux, in the 0.1-300 GeV band, of (93 ± 19) × 10-8 ph cm-2 s-1, attaining a flux of (237 ± 71) × 10-8 ph cm-2 s-1 on 3-h time-scales, which corresponds to an isotropic luminosity of (7.3 ± 2.1) × 1047 erg s-1. The γ-ray flare was not accompanied by significant spectral changes. We report on multiwavelength radio-to-γ-ray observations of PKS 1502+036 during 2008 August-2016 March by Fermi-LAT, Swift, XMM-Newton, Catalina Real-Time Transient Survey and the Owens Valley Radio Observatory (OVRO). An increase in activity was observed on 2015 December 22 by Swift in optical, UV and X-rays. The OVRO 15 GHz light curve reached the highest flux density observed from this source on 2016 January 12, indicating a delay of about three weeks between the γ-ray and 15 GHz emission peaks. This suggests that the γ-ray-emitting region is located beyond the broad-line region. We compared the spectral energy distribution (SED) of an average activity state with that of the flaring state. The two SED, with the high-energy bump modelled as an external Compton component with seed photons from a dust torus, could be fitted by changing the electron distribution parameters as well as the magnetic field. The fit of the disc emission during the average state constrains the black hole mass to values lower than 108 M⊙. The SED, high-energy emission mechanisms and γ-ray properties of the source resemble those of a flat spectrum radio quasar.

The awakening of the γ-ray narrow-line Seyfert 1 galaxy PKS 1502+036

DOE PAGES

D'Ammando, F.; Orienti, M.; Finke, J.; ...

2016-09-14

After a long low-activity period, we detected a γ-ray flare from the narrow-line Seyfert 1 PKS 1502+036 (z = 0.4089) by the Large Area Telescope (LAT) on board Fermi in 2015. On 2015 December 20, the source reached a daily peak flux, in the 0.1–300 GeV band, of (93 ± 19) × 10 -8 ph cm -2 s -1, attaining a flux of (237 ± 71) × 10 -8 ph cm -2 s -1 on 3-h time-scales, which corresponds to an isotropic luminosity of (7.3 ± 2.1) × 10 47 erg s -1. The γ-ray flare was not accompanied bymore » significant spectral changes. We report on multiwavelength radio-to-γ-ray observations of PKS 1502+036 during 2008 August–2016 March by Fermi-LAT, Swift, XMM–Newton, Catalina Real-Time Transient Survey and the Owens Valley Radio Observatory (OVRO). An increase in activity was observed on 2015 December 22 by Swift in optical, UV and X-rays. The OVRO 15 GHz light curve reached the highest flux density observed from this source on 2016 January 12, indicating a delay of about three weeks between the γ-ray and 15 GHz emission peaks. Furthermore, this suggests that the γ-ray-emitting region is located beyond the broad-line region. We also compared the spectral energy distribution (SED) of an average activity state with that of the flaring state. The two SED, with the high-energy bump modelled as an external Compton component with seed photons from a dust torus, could be fitted by changing the electron distribution parameters as well as the magnetic field. Furthermore, the fit of the disc emission during the average state constrains the black hole mass to values lower than 108 M⊙. The SED, high-energy emission mechanisms and γ-ray properties of the source resemble those of a flat spectrum radio quasar.« less

NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

PubMed Central

Jang, Richard; Wang, Yan

2015-01-01

NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement. PMID:25737244

Multinuclear NMR studies of relaxor ferroelectrics

NASA Astrophysics Data System (ADS)

Zhou, Donghua

Multinuclear NMR of 93Nb, 45Sc, and 207Pb has been carried out to study the structure, disorder, and dynamics of a series of important solid solutions: perovskite relaxor ferroelectric materials (1-x) Pb(Mg1/3Nb 2/3)O3-x Pb(Sc1/2Nb1/2)O 3 (PMN-PSN). 93Nb NMR investigations of the local structure and cation order/disorder are presented as a function of PSN concentration, x. The superb fidelity and accuracy of 3QMAS allows us to make clear and consistent assignments of spectral intensities to the 28 possible nearest B-site neighbor (nBn) configurations, (NMg, NSc, NNb), where each number ranges from 0 to 6 and their sum is 6. For most of the 28 possible nBn configurations, isotropic chemical shifts and quadrupole product constants have been extracted from the data. The seven configurations with only larger cations, Mg 2+ and Sc3+ (and no Nb5+) are assigned to the seven observed narrow peaks, whose deconvoluted intensities facilitate quantitative evaluation of, and differentiation between, different models of B-site (chemical) disorder. The "completely random" model is ruled out and the "random site" model is shown to be in qualitative agreement with the NMR experiments. To obtain quantitative agreement with observed NMR intensities, the random site model is slightly modified by including unlike-pair interaction energies. To date, 45Sc studies have not been as fruitful as 93Nb NMR because the resolution is lower in the 45Sc spectra. The lower resolution of 45Sc spectra is due to a smaller span of isotropic chemical shift (40 ppm for 45Sc vs. 82 ppm for 93Nb) and to the lack of a fortuitous mechanism that simplifies the 93Nb spectra; for 93Nb the overlap of the isotropic chemical shifts of 6-Sc and 6-Nb configurations results in the alignment of all the 28 configurations along only seven quadrupole distribution axes. Finally we present variable temperature 207Pb static, MAS, and 2D-PASS NMR studies. Strong linear correlations between isotropic and anisotropic chemical

Isotope labeling for studying RNA by solid-state NMR spectroscopy.

PubMed

Marchanka, Alexander; Kreutz, Christoph; Carlomagno, Teresa

2018-04-12

Nucleic acids play key roles in most biological processes, either in isolation or in complex with proteins. Often they are difficult targets for structural studies, due to their dynamic behavior and high molecular weight. Solid-state nuclear magnetic resonance spectroscopy (ssNMR) provides a unique opportunity to study large biomolecules in a non-crystalline state at atomic resolution. Application of ssNMR to RNA, however, is still at an early stage of development and presents considerable challenges due to broad resonances and poor dispersion. Isotope labeling, either as nucleotide-specific, atom-specific or segmental labeling, can resolve resonance overlaps and reduce the line width, thus allowing ssNMR studies of RNA domains as part of large biomolecules or complexes. In this review we discuss the methods for RNA production and purification as well as numerous approaches for isotope labeling of RNA. Furthermore, we give a few examples that emphasize the instrumental role of isotope labeling and ssNMR for studying RNA as part of large ribonucleoprotein complexes.

NMR spectroscopy of Group 13 metal ions: biologically relevant aspects.

PubMed

André, J P; Mäcke, H R

2003-12-01

In spite of the fact that Group 13 metal ions (Al(3+), Ga(3+), In(3+) and Tl(+/3+)) show no main biological role, they are NMR-active nuclides which can be used in magnetic resonance spectroscopy of biologically relevant systems. The fact that these metal ions are quadrupolar (with the exception of thallium) means that they are particularly sensitive to ligand type and coordination geometry. The line width of the NMR signals of their complexes shows a strong dependence on the symmetry of coordination, which constitutes an effective tool in the elucidation of structures. Here we report published NMR studies of this family of elements, applied to systems of biological importance. Special emphasis is given to binding studies of these cations to biological molecules, such as proteins, and to chelating agents of radiopharmaceutical interest. The possibility of in vivo NMR studies is also stressed, with extension to (27)Al-based MRI (magnetic resonance imaging) experiments.

Exploring the physics of the accretion and jet in nearby narrow-line Seyfert 1 galaxies

NASA Astrophysics Data System (ADS)

Yao, Su; Qiao, Erlin; Wu, Xue-Bing; You, B.

2018-06-01

In this paper, we explore the physics of the accretion and jet in narrow-line Seyfert 1 (NLS1) galaxy. Specifically, we compile a sample composed of 16 nearby NLS1 with Lbol/LEdd ≳ 0.1. We investigate the mutual correlation between their radio luminosity LR, X-ray luminosity LX, optical luminosity L5100, and black hole mass MBH. By adopting partial correlation analysis, we find (1) a positive correlation between LX and MBH and (2) a weak positive correlation between LR and L5100. However, we don't find significant correlations between LR and LX or between LX and L5100 after considering the effect of the black hole mass, which leads to a finding that LX/LEdd is independent of L5100/LEdd. Interestingly, the findings that LX is correlated with MBH and LX/LEdd is not correlated with L5100/LEdd support that the X-ray emission is saturated with increasing \\dot{M} for Lbol/LEdd ≳ 0.1 in NLS1, which may be understood in the framework of slim disc scenario. Finally, we suggest that a larger NLS1 sample with high-quality radio and X-ray data is needed to further confirm this result in the future.

NMR studies of non-Fermi-liquid behavior in disordered Kondo systems

NASA Astrophysics Data System (ADS)

Liu, Chia-Ying

A number of heavy-fermion alloys have been discovered to have non-Fermi-liquid (NFL) properties in contrast to the Fermi-liquid behavior expected for normal metals. Since nuclear magnetic resonance (NMR) studies in the heavy-fermion UCusb{5-x}Pdsb{x} by our group, the "Kondo disorder" model has been recognized as one of the possible origins of NFL behavior. This dissertation describes the use of NMR to study NFL behavior in the two heavy-fermion systems Ce(Rusb{1-x}Rhsb{x})sb2Sisb2 (x = 0.5) and Usb{1-x}Thsb{x}Pdsb2Alsb3\\ (x > 0.6). The cerium compound is disordered on non-f atoms (ligand disordered), whereas the uranium system is disordered on the f sublattice. Both exhibit complex phase diagrams and NFL behavior. sp{29}Si powder-pattern NMR spectra from a randomly-oriented powder sample of CeRhRuSisb2 show broad linewidths at low temperature, consistent with disorder-induced NFL behavior. The spectra from a field-aligned sample further confirm that these broad linewidths are due to distributions of local susceptibilities. The NMR widths are in good agreement with the distribution P(Tsb{K}) of Kondo temperatures Tsb{K} derived from the previous analysis of Graf et al., Phys. Rev. Lett. 78, 3769 (1997), including a "hole" in P(Tsb{K}) for small Tsb{K}\\ lbrack P(Tsb{K} = 0) = 0rbrack which describes the return to Fermi-liquid behavior below 1 K observed in the specific heat. The Kondo disorder model successfully explains the NMR linewidth and the NFL behavior in CeRhRuSisb2 either with or without consideration of RKKY interaction between Ce moments. In Usb{1-x}Thsb{x}Pdsb2Alsb3 (x = 0.7, 0.8, 0.9) the sp{27}Al NMR spectra in unaligned powders were initially thought to indicate a metallugical problem, namely, the existence of a second phase. After careful comparison of the behavior of Knight shifts in different concentrations, those extra lines were recognized as impurity satellites instead of coming from a second phase. These impurity satellites are due to

Optically trapped atomic resonant devices for narrow linewidth spectral imaging

NASA Astrophysics Data System (ADS)

Qian, Lipeng

This thesis focuses on the development of atomic resonant devices for spectroscopic applications. The primary emphasis is on the imaging properties of optically thick atomic resonant fluorescent filters and their applications. In addition, this thesis presents a new concept for producing very narrow linewidth light as from an atomic vapor lamp pumped by a nanosecond pulse system. This research was motivated by application for missile warning system, and presents an innovative approach to a wide angle, ultra narrow linewidth imaging filter using a potassium vapor cell. The approach is to image onto and collect the fluorescent photons emitted from the surface of an optically thick potassium vapor cell, generating a 2 GHz pass-band imaging filter. This linewidth is narrow enough to fall within a Fraunhefer dark zone in the solar spectrum, thus make the detection solar blind. Experiments are conducted to measure the absorption line shape of the potassium resonant filter, the quantum efficiency of the fluorescent behavior, and the resolution of the fluorescent image. Fluorescent images with different spatial frequency components are analyzed by using a discrete Fourier transform, and the imaging capability of the fluorescent filter is described by its Modulation Transfer Function. For the detection of radiation that is spectrally broader than the linewidth of the potassium imaging filter, the fluorescent image is seen to be blurred by diffuse fluorescence from the slightly off resonant photons. To correct this, an ultra-thin potassium imaging filter is developed and characterized. The imaging property of the ultra-thin potassium imaging cell is tested with a potassium seeded flame, yielding a resolution image of ˜ 20 lines per mm. The physics behind the atomic resonant fluorescent filter is radiation trapping. The diffusion process of the resonant photons trapped in the atomic vapor is theoretically described in this thesis. A Monte Carlo method is used to simulate the

/sup 2/H NMR demonstration of amino acid - nucleotide interactions

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

Khaled, M.A.; Watkins, C.L.; Lacey, J.C. Jr.

Deuterium (/sup 2/H) NMR was used to investigate the interaction of L-Phenylalanine (with aromatic protons replaced by deuterons (Phe-D/sub 5/)), with 5'-AMP and polyadenylic acid (poly A). A considerable change in line width of the aromatic deuteron signals of Phe was observed. These data were plotted using a Scatchard-type equation, and yielded apparent binding constants for L-Phe to 5'-AMP and poly A of 7 and 11 M/sup -1/, respectively. Future applications of /sup 2/H-NMR in the study of nucleic acid-protein interactions are discussed.

The host galaxy of the γ-ray-emitting narrow-line Seyfert 1 galaxy PKS 1502+036

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Acosta-Pulido, J. A.; Capetti, A.; Baldi, R. D.; Orienti, M.; Raiteri, C. M.; Ramos Almeida, C.

2018-07-01

The detection of γ-ray emission from narrow-line Seyfert 1 galaxies (NLSy1) has challenged the idea that large black hole (BH) masses (≥108 M⊙) are needed to launch relativistic jets. We present near-infrared imaging data of the γ-ray-emitting NLSy1 PKS 1502+036 obtained with the Very Large Telescope. Its surface brightness profile, extending to ˜20 kpc, is well described by the combination of a nuclear component and a bulge with a Sérsic index n = 3.5, which is indicative of an elliptical galaxy. A circumnuclear structure observed near PKS 1502+036 may be the result of galaxy interactions. A BH mass of ˜7 × 108 M⊙ has been estimated by the bulge luminosity. The presence of an additional faint disc component cannot be ruled out with the present data, but this would reduce the BH mass estimate by only ˜30 per cent. These results, together with analogous findings obtained for FBQS J1644+2619, indicate that the relativistic jets in γ-ray-emitting NLSy1 are likely produced by massive black holes at the centre of elliptical galaxies.

A Narrow-Linewidth Atomic Line Filter for Free Space Quantum Key Distribution under Daytime Atmospheric Conditions

NASA Astrophysics Data System (ADS)

Brown, Justin; Woolf, David; Hensley, Joel

2016-05-01

Quantum key distribution can provide secure optical data links using the established BB84 protocol, though solar backgrounds severely limit the performance through free space. Several approaches to reduce the solar background include time-gating the photon signal, limiting the field of view through geometrical design of the optical system, and spectral rejection using interference filters. Despite optimization of these parameters, the solar background continues to dominate under daytime atmospheric conditions. We demonstrate an improved spectral filter by replacing the interference filter (Δν ~ 50 GHz) with an atomic line filter (Δν ~ 1 GHz) based on optical rotation of linearly polarized light through a warm Rb vapor. By controlling the magnetic field and the optical depth of the vapor, a spectrally narrow region can be transmitted between crossed polarizers. We find that the transmission is more complex than a single peak and evaluate peak transmission as well as a ratio of peak transmission to average transmission of the local spectrum. We compare filters containing a natural abundance of Rb with those containing isotopically pure 87 Rb and 85 Rb. A filter providing > 95 % transmission and Δν ~ 1.1 GHz is achieved.

The host galaxy of the γ-ray-emitting narrow-line Seyfert 1 galaxy PKS 1502+036

NASA Astrophysics Data System (ADS)

D'Ammando, F.; Acosta-Pulido, J. A.; Capetti, A.; Baldi, R. D.; Orienti, M.; Raiteri, C. M.; Ramos Almeida, C.

2018-04-01

The detection of γ-ray emission from narrow-line Seyfert 1 galaxies (NLSy1) has challenged the idea that large black hole (BH) masses (≥108 M⊙) are needed to launch relativistic jets. We present near-infrared imaging data of the γ-ray-emitting NLSy1 PKS 1502+036 obtained with the Very Large Telescope. Its surface brightness profile, extending to ˜ 20 kpc, is well described by the combination of a nuclear component and a bulge with a Sérsic index n = 3.5, which is indicative of an elliptical galaxy. A circumnuclear structure observed near PKS 1502+036 may be the result of galaxy interactions. A BH mass of ˜7 × 108 M⊙ has been estimated by the bulge luminosity. The presence of an additional faint disc component cannot be ruled out with the present data, but this would reduce the BH mass estimate by only ˜ 30%. These results, together with analogous findings obtained for FBQS J1644+2619, indicate that the relativistic jets in γ-ray-emitting NLSy1 are likely produced by massive black holes at the center of elliptical galaxies.

SDSS J211852.96-073227.5: a new γ-ray flaring narrow-line Seyfert 1 galaxy

NASA Astrophysics Data System (ADS)

Yang, Hui; Yuan, Weimin; Yao, Su; Li, Ye; Zhang, Jin; Zhou, Hongyan; Komossa, S.; Liu, He-Yang; Jin, Chichuan

2018-07-01

We report on the identification of a new γ-ray-emitting narrow-line Seyfert 1 (NLS1) galaxy, SDSS J211852.96-073227.5 (hereinafter J2118-0732). The galaxy, at a redshift of 0.26, is associated with a radio source of flat/inverted spectrum at high radio frequencies. The analysis of its optical spectrum obtained in the Sloan Digital Sky Survey (SDSS) revealed a small linewidth of the broad component of the Hβ line (full width at half-maximum = 1585 km s-1), making it a radio-loud NLS1 galaxy - an intriguing class of active galactic nuclei with exceptional multiwavelength properties. A new γ-ray source centred at J2118-0732 was sporadically detected during 2009-2013 in form of flares by the Fermi-LAT. Our XMM-Newton observations revealed a flat X-ray spectrum described by a simple power law, and a flux variation by a factor of ˜2.5 in five months. The source also shows intraday variability in the infrared band. Its broad-band spectral energy distribution can be modelled by emission from a simple one-zone leptonic jet model, and the flux drop from infrared to X-rays in five months can be explained by changes of the jet parameters, though the exact values may be subject to relatively large uncertainties. With the NLS1-blazar composite nucleus, the clear detection of the host galaxy, and the synchronous variations in the multiwavelength fluxes, J2118-0732 provides a new perspective on the formation and evolution of relativistic jets under the regime of relatively small black hole masses and high accretion rates.

SDSS J211852.96-073227.5: a new γ-ray flaring narrow-line Seyfert 1 galaxy

NASA Astrophysics Data System (ADS)

Yang, Hui; Yuan, Weimin; Yao, Su; Li, Ye; Zhang, Jin; Zhou, Hongyan; Komossa, S.; Liu, He-Yang; Jin, Chichuan

2018-04-01

We report on the identification of a new γ-ray-emitting narrow-line Seyfert 1 (NLS1) galaxy, SDSS J211852.96-073227.5 (hereafter J2118-0732). The galaxy, at a redshift of 0.26, is associated with a radio source of flat/inverted spectrum at high radio frequencies. The analysis of its optical spectrum obtained in the Sloan Digital Sky Survey revealed a small linewidth of the broad component of the Hβ line (FWHM = 1585 km s-1), making it a radio-loud NLS1 galaxy - an intriguing class of active galactic nuclei with exceptional multi-wavelength properties. A new γ-ray source centred at J2118-0732 was sporadically detected during 2009-2013 in form of flares by the Fermi-LAT. Our XMM-Newton observations revealed a flat X-ray spectrum described by a simple power law, and a flux variation by a factor of ˜2.5 in 5 months. The source also shows intraday variability in the infrared band. Its broad-band spectral energy distribution can be modelled by emission from a simple one-zone leptonic jet model, and the flux drop from infrared to X-rays in five months can be explained by changes of the jet parameters, though the exact values may be subject to relatively large uncertainties. With the NLS1-blazar composite nucleus, the clear detection of the host galaxy and the synchronous variations in the multi-wavelength fluxes, J2118-0732 provides a new perspective on the formation and evolution of relativistic jets under the regime of relatively small black hole masses and high accretion rates.

Structure of the charge density wave in cuprate superconductors: Lessons from NMR

NASA Astrophysics Data System (ADS)

Atkinson, W. A.; Ufkes, S.; Kampf, A. P.

2018-03-01

Using a mix of numerical and analytic methods, we show that recent NMR 17O measurements provide detailed information about the structure of the charge-density wave (CDW) phase in underdoped YBa2Cu3O6 +x . We perform Bogoliubov-de Gennes (BdG) calculations of both the local density of states and the orbitally resolved charge density, which are closely related to the magnetic and electric quadrupole contributions to the NMR spectrum, using a microscopic model that was shown previously to agree closely with x-ray experiments. The BdG results reproduce qualitative features of the experimental spectrum extremely well. These results are interpreted in terms of a generic "hot-spot" model that allows one to trace the origins of the NMR line shapes. We find that four quantities—the orbital character of the Fermi surface at the hot spots, the Fermi surface curvature at the hot spots, the CDW correlation length, and the magnitude of the subdominant CDW component—are key in determining the line shapes.

La 139 NMR investigation of the charge and spin order in a La 1.885 Sr 0.115 CuO 4 single crystal

DOE PAGES

Arsenault, A.; Takahashi, S. K.; Imai, T.; ...

2018-02-14

139La NMR is suited for investigations into magnetic properties of La 2CuO 4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-T c superconductor La 1.885 Sr 0.115 CuO 4 in a broad temperature range across the charge and spin order transitions (T charge ≃ 80 K, T neutron spin ≃ T c = 30 K). From the high-precision measurements of the linewidth for the nuclear spin I z = + 1 / 2 to -1/2 central transition, we show that paramagnetic line broadening sets in precisely at T charge due to enhanced spin correlations within the CuO 2 planes. Additional paramagnetic line broadening ensues below ~35 K, signaling that Cu spins in some segments of CuO 2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the ab plane, however, begins to develop only below Tmore » $$μSR\\atop{spin}$$ = 15 – 20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (~20 % ) of the sample. Based on the measurement of 139 La nuclear-spin-lattice relaxation rate 1/T 1, we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139 La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below T charge. In conclusion, these 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below T charge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017)]. Furthermore, we show that the enhancement of low-energy spin

La 139 NMR investigation of the charge and spin order in a La 1.885 Sr 0.115 CuO 4 single crystal

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

Arsenault, A.; Takahashi, S. K.; Imai, T.

139La NMR is suited for investigations into magnetic properties of La 2CuO 4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-T c superconductor La 1.885 Sr 0.115 CuO 4 in a broad temperature range across the charge and spin order transitions (T charge ≃ 80 K, T neutron spin ≃ T c = 30 K). From the high-precision measurements of the linewidth for the nuclear spin I z = + 1 / 2 to -1/2 central transition, we show that paramagnetic line broadening sets in precisely at T charge due to enhanced spin correlations within the CuO 2 planes. Additional paramagnetic line broadening ensues below ~35 K, signaling that Cu spins in some segments of CuO 2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the ab plane, however, begins to develop only below Tmore » $$μSR\\atop{spin}$$ = 15 – 20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (~20 % ) of the sample. Based on the measurement of 139 La nuclear-spin-lattice relaxation rate 1/T 1, we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139 La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below T charge. In conclusion, these 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below T charge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017)]. Furthermore, we show that the enhancement of low-energy spin

BAT AGN Spectroscopic Survey - III. An Observed Link Between AGN Eddington Ratio and Narrow-Emission-Line Ratios

NASA Technical Reports Server (NTRS)

Oh, Kyuseok; Schawinski, Kevin; Koss, Michael; Trakhtenbrot, Benny; Lamperti, Isabella; Ricci, Claudio; Mushotzky, Richard; Veilleux, Sylvain; Berney, Simon; Crenshaw, D. Michael;

NEAR-INFRARED SPECTROSCOPY OF NEARBY SEYFERT GALAXIES: IS THERE EVIDENCE FOR SHOCK EXCITATION IN NARROW-LINE REGIONS?

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

Terao, K.; Nagao, T.; Toba, Y.

2016-12-20

One of the important unsettled problems regarding active galactic nuclei (AGNs) is the major ionization mechanism of gas clouds in AGN narrow-line regions (NLRs). In order to investigate this issue, we present our J -band spectroscopic observations of a sample of 26 nearby Seyfert galaxies. In our study, we use the flux ratio of the following two forbidden emission lines, [Fe ii]1.257  μ m and [P ii]1.188  μ m, because it is known that this ratio is sensitive to the ionization mechanism. We obtain the [Fe ii]/[P ii] flux ratio or its lower limit for 19 objects. In addition tomore » our data, we compile this flux ratio (or its lower limit) for 23 nearby Seyfert galaxies from the literature. Based on the collected data, we find that three Seyfert galaxies show very large lower limits of the [Fe ii]/[P ii] flux ratios (≳10): NGC 2782, NGC 5005, and Mrk 463. It is thus suggested that the contribution of the fast shock in the gas excitation is significantly large for them. However, more than half of the Seyfert galaxies in our sample show moderate [Fe ii]/[P ii] flux ratios (∼2), which is consistent with pure photoionization by power-law ionizing continuum emission. We also find that the [Fe ii]/[P ii] flux ratio shows no clear correlation with the radio loudness, suggesting that the radio jet is not the primary origin of shocks in NLRs of Seyfert galaxies.« less

In situ {sup 13}C MAS NMR study of n-hexane conversion on Pt and Pd supported on basic materials

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

Ivanova, I.I.; Pasau-Claerbout, A.; Seivert, M.

n-Hexane conversion was studied in situ on Pt and Pd supported on aluminum-stabilized magnesium oxide and Pt on Zeolite KL catalysts (Pt/Mg(Al)O, Pd/Mg(Al)O and Pt/KL) by means of {sup 13}C MAS NMR spectroscopy. n-Hexane 1-{sup 13}C was used as a labelled reactant. Forty NMR lines corresponding to 14 different products were resolved and identified. The NMR line assignments were confirmed by adsorption of model compounds. The NMR results were further quantified and compared with continuous flow microreactor tests. Four parallel reaction pathways were identified under flow conditions: isomerization, cracking, dehydrocyclization, and dehydrogenation. Aromatization occurs via two reaction routes: (1) n-hexanemore » dehydrogenation towards hexadienes and hexatrienes, followed by dehydrogenation of a cyclic intermediate. The former reaction pathway is prevented under NMR batch conditions. High pressures induced in the NMR cells at high reaction temperatures (573, 653 K) shift the reaction equilibrium towards hydrogenation. NMR experiments showed that on Pt catalysts aromatization occurs via a cyclohexane intermediate, whereas on Pd it takes place via methylcyclopentane ring enlargement. 54 refs., 15 figs., 3 tabs.« less

Spectral line narrowing in PPLN OPO devices for 1-μm wavelength doubling

NASA Astrophysics Data System (ADS)

Perrett, Brian J.; Terry, Jonathan A. C.; Mason, Paul D.; Orchard, David A.

2004-12-01

One route to generating mid-infrared (mid-IR) radiation is through a two-stage non-linear conversion process from the near-IR, exploiting powerful neodymium lasers operating at wavelengths close to 1 μm. In the first stage of this process non-linear conversion within a degenerate optical parametric oscillator (OPO) is used to double the wavelength of the 1 μm laser. The resultant 2 μm radiation is then used to pump a second OPO, based on a material such as ZGP, for conversion into the 3 to 5 μm mid-IR waveband. Periodically poled lithium niobate (PPLN) is a useful material for conversion from 1 to 2 μm due to its high non-linear coefficient (deff ~ 16 pm/V) and the long crystal lengths available (up to 50 mm). Slope efficiencies in excess of 40% have readily been achieved using a simple plane-plane resonator when pumped at 10 kHz with 3.5 mJ pulses from a 1.047 μm Nd:YLF laser. However, the OPO output was spectrally broad at degeneracy with a measured full-width-half-maximum (FWHM) linewidth of approximately 65 nm. This output linewidth is significantly broader than the spectral acceptance bandwidth of ZGP for conversion into the mid-IR. In this paper techniques for spectral narrowing the output from a degenerate PPLN OPO are investigated using two passive elements, a diffraction grating and an air spaced etalon. Slope efficiencies approaching 20% have been obtained using the grating in a dog-leg cavity configuration producing spectrally narrow 2 μm output with linewidths as low as 2 nm. A grating-narrowed degenerate PPLN OPO has been successfully used to pump a ZGP OPO.

Fermi/Large Area Telescope Discovery of Gamma-Ray Emission from a Relativistic Jet in the Narrow-Line Quasar PMN J0948+0022

DOE PAGES

Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

2009-06-17

In this paper, we report the discovery by the Large Area Telescope (LAT) onboard the Fermi Gamma-Ray Space Telescope of high-energy γ-ray emission from the peculiar quasar PMN J0948+0022 (z = 0.5846). The optical spectrum of this object exhibits rather narrow Hβ (FWHM(Hβ) ~1500 km s –1), weak forbidden lines, and is therefore classified as a narrow-line type I quasar. This class of objects is thought to have relatively small black hole mass and to accrete at a high Eddington ratio. The radio loudness and variability of the compact radio core indicate the presence of a relativistic jet. Quasi-simultaneous radio/optical/X-raymore » and γ-ray observations are presented. Both radio and γ-ray emissions (observed over five months) are strongly variable. The simultaneous optical and X-ray data from Swift show a blue continuum attributed to the accretion disk and a hard X-ray spectrum attributed to the jet. The resulting broadband spectral energy distribution (SED) and, in particular, the γ-ray spectrum measured by Fermi are similar to those of more powerful Flat-Spectrum Radio Quasars (FSRQs). A comparison of the radio and γ-ray characteristics of PMN J0948+0022 with the other blazars detected by LAT shows that this source has a relatively low radio and γ-ray power with respect to other FSRQs. The physical parameters obtained from modeling the SED also fall at the low power end of the FSRQ parameter region discussed in Celotti & Ghisellini. Finally, we suggest that the similarity of the SED of PMN J0948+0022 to that of more massive and more powerful quasars can be understood in a scenario in which the SED properties depend on the Eddington ratio rather than on the absolute power.« less

Conformational analysis of capsaicin using 13C, 15N MAS NMR, GIAO DFT and GA calculations

NASA Astrophysics Data System (ADS)

Siudem, Paweł; Paradowska, Katarzyna; Bukowicki, Jarosław

2017-10-01

Capsaicin produced by plants from genus Capsicum exerts multiple pharmacological effects and has found applications in food and pharmaceutical industry. The alkaloid was studied by a combined approach: solid-state NMR, GA conformational search and GIAO DFT methods. The 13C CPMAS NMR spectra were recorded using variable contact time and dipolar dephasing experiments. The results of cross-polarization (CP) kinetics, such as TCP values and long T1ρH (100-200 ms), indicated that the capsaicin molecule is fairly mobile, especially at the end of the aliphatic chain. The15N MAS NMR spectrum showed one narrow signal at -255 ppm. Genetic algorithm (GA) search with multi modal optimization was used to find low-energy conformations of capsaicin. Theoretical GIAO DFT calculations were performed using different basis sets to characterize five selected conformations. 13C CPMAS NMR was used as a validation method and the experimental chemical shifts were compared with those calculated for selected stable conformers. Conformational analysis suggests that the side chain can be bent or extended. A comparison of the experimental and the calculated chemical shifts indicates that solid capsaicin does not have the same structure as those established by PWXRD.

Determination of the vinyl fluoride line intensities by TDL spectroscopy: the object oriented approach of Visual Line Shape Fitting Program to line profile analysis

NASA Astrophysics Data System (ADS)

Tasinato, Nicola; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi

2010-03-01

In this work the self-broadening coefficients and the integrated line intensities for a number of ro-vibrational transitions of vinyl fluoride have been determined for the first time by means of TDL spectroscopy. The spectra recorded in the atmospheric window around 8.7 µm appear very crowded with a density of about 90 lines per cm-1. In order to fit these spectral features a new fitting software has been implemented. The program, which is designed for laser spectroscopy, can fit many lines simultaneously on the basis of different theoretical profiles (Doppler, Lorentz, Voigt, Galatry and Nelkin-Ghatak). Details of the object oriented implementation of the application are given. The reliability of the program is demonstrated by determining the line parameters of some ro-vibrational lines of sulphur dioxide in the ν1 band region around 9 µm. Then the software is used for the line profile analysis of vinyl fluoride. The experimental line shapes show deviations from the Voigt profile, which can be well modelled by using a Dicke narrowed line shape function. This leads to the determination of the self-narrowing coefficient within the framework of the strong collision model.

BOOK REVIEW: NMR Imaging of Materials

NASA Astrophysics Data System (ADS)

Blümich, Bernhard

2003-09-01

spectroscopic methods to weight or filter the spin signals represents the core of the book. This is a subject where Blümich is deeply involved with substantial contributions. The chapter includes a lot of ideas to provide MR contrast between different regions based on their mobility, diffusion, spin couplings or NMR spectra. After describing NMR imaging methods for solids with broad lines, Blümich spends time on applications in the last two chapters of the book. This part is really fun to read. It underlines the effort to bring NMR into many kinds of manufacturing. Car tyres and high-voltage cables are just two such areas. Elastomeric materials, green-state ceramics and food science represent other interesting fields of applications. This part of the book represents a personal but nevertheless extensive compilation of modern applications. As a matter of course the MOUSE is presented, a portable permanent-magnet based NMR developed by Blümich and his co-workers. Thus the book is not only of interest to NMR spectroscopists but also to people in material science and chemical engineering. The bibliography and indexing are excellent and may serve as an attractive reference source for NMR spectroscopists. The book is the first on the subject and likely to become the standard text for NMR imaging of materials as the books by Abragam, Slicher and Ernst et al are for NMR spectroscopy. The purchase of this beautiful book for people dealing with NMR spectroscopy or medical MRI is highly recommended. Ralf Ludwig

Automatic NMR field-frequency lock-pulsed phase locked loop approach.

PubMed

Kan, S; Gonord, P; Fan, M; Sauzade, M; Courtieu, J

1978-06-01

A self-contained deuterium frequency-field lock scheme for a high-resolution NMR spectrometer is described. It is based on phase locked loop techniques in which the free induction decay signal behaves as a voltage-controlled oscillator. By pulsing the spins at an offset frequency of a few hundred hertz and using a digital phase-frequency discriminator this method not only eliminates the usual phase, rf power, offset adjustments needed in conventional lock systems but also possesses the automatic pull-in characteristics that dispense with the use of field sweeps to locate the NMR line prior to closure of the lock loop.

A SAMPLE OF SEYFERT-2 GALAXIES WITH ULTRALUMINOUS GALAXY-WIDE NARROW-LINE REGIONS: QUASAR LIGHT ECHOES?

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

Schirmer, M.; Diaz, R.; Levenson, N. A.

2013-01-20

We report the discovery of Seyfert-2 galaxies in SDSS-DR8 with galaxy-wide, ultraluminous narrow-line regions (NLRs) at redshifts z = 0.2-0.6. With a space density of 4.4 Gpc{sup -3} at z {approx} 0.3, these 'green beans' (GBs) are amongst the rarest objects in the universe. We are witnessing an exceptional and/or short-lived phenomenon in the life cycle of active galactic nuclei (AGNs). The main focus of this paper is on a detailed analysis of the GB prototype galaxy J2240-0927 (z = 0.326). Its NLR extends over 26 Multiplication-Sign 44 kpc and is surrounded by an extended NLR. With a total [Omore » III] {lambda}5008 luminosity of (5.7 {+-} 0.9) Multiplication-Sign 10{sup 43} erg s{sup -1}, this is one of the most luminous NLRs known around any type-2 galaxy. Using VLT/XSHOOTER, we show that the NLR is powered by an AGN, and we derive resolved extinction, density, and ionization maps. Gas kinematics is disturbed on a global scale, and high-velocity outflows are absent or faint. This NLR is unlike any other NLR or extended emission line region known. Spectroscopy with Gemini/GMOS reveals extended, high-luminosity [O III] emission also in other GBs. WISE 24 {mu}m luminosities are 5-50 times lower than predicted by the [O III] fluxes, suggesting that the NLRs reflect earlier, very active quasar states that have strongly subsided in less than a galaxy's light-crossing time. These light echoes, or ionization echoes, are about 100 times more luminous than any other such echo known to date. X-ray data are needed for photoionization modeling and to verify the light echoes.« less

Photoionization Models of the H_2 Emission of the Narrow Line Region of AGNs

NASA Astrophysics Data System (ADS)

Aleman, I.; Gruenwald, R.

2011-05-01

The excitation mechanism of the narrow line region (NLR) of AGNs is still an open question. Excitation by UV radiation from O and B stars, x-rays from the central black hole, shock from supernovae or jets, or a combination of these mechanisms have been suggested. In the present work, we use photoionization models to study the excitation mechanisms of the H_2 infrared emission lines in the NLR. In the literature, analyzes of the H_2 emission have been done assuming that the molecules is present only in neutral regions (photodissociation regions, x-ray-dominated regions, or shocks; Veilleux et al. 1997, Krabbe et al. 2000, Rigopoulou et al. 2002, Rodriguez-Ardila et al. 2004, 2005, and Davies et al. 2005). However, they are not conclusive. In previous work (Aleman & Gruenwald 2004, 2011), we show that the H_2 emission from the ionized region of PNe can be significant for planetary nebulae (PNe) with hot central stars (T⋆ > 150000 K). Such stars produce copious amounts of high energy photons, which create an extended partially ionized region that favors the H_2 survival. The conditions in the NLR are similar to those in PNe with hot central stars, so we can expect that the H_2 emission might also be important. We obtain and analyze a grid of photoionization models for different NRL parameters. We study the resulting H_2 density and emission, as well as, the formation, destruction, excitation, and de-excitation mechanisms. The higher values observed for the H_2 1-0 S(1)/Brγ ratio cannot be reproduced by our models. The calculated ratios are between 10^-8 and 10^-1, while the observational ration can be as high as 10. The calculated ratio is strongly anti-correlated with the ionization parameter (U) and only models with U<10-3 result in ratios inside the observational range. We show that the NLR is an environment more hostile to the H_2 molecule than the ionized region of PNe. Another interesting result of our calculations is that the H_2 formation on grain surfaces

Physical states and finite-size effects in Kitaev's honeycomb model: Bond disorder, spin excitations, and NMR line shape

NASA Astrophysics Data System (ADS)

Zschocke, Fabian; Vojta, Matthias

2015-07-01

Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z2 gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011), 10.1103/PhysRevB.84.165414]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.

Searching for the influence radius of AGN in nearby narrow emission-line galaxies using the CALIFA survey

NASA Astrophysics Data System (ADS)

Robleto-Orús, A. C.; Torres-Papaqui, J. P.; Coziol, R.; Morales-Vargas, A.; Romero-Cruz, F. J.; Ortega-Minakata, R. A.; Chow-Martinez, M.; Trejo-Alonso, J. J.

2017-07-01

In narrow emission-line galaxies, one important problem consists in discriminating gas ionization due to an AGN and gas ionization due to OB stars in active star-forming regions. This problem becomes more acute in case of AGNs classified as transition-type objects (TO), where star formation is relatively intense, and for LINERs, where the AGN is very weak. Thanks to the integral field spectroscopy, we have a new way to attack this problem. By definition, OB stars ionize a definite portion of space, the Strömgren's sphere, which size depends on the total luminosity of the star, its temperature, and the density of the surrounding gas. Therefore one expects gas ionized by OB stars to cover limited areas in a galaxy. On the other hand, due to the huge amount of ionizing photons emitted by an AGN, its "influence radius" is expected do be much more extended, in the order of kpc. Using a sample of galaxies from included in the CALIFA survey DR3, we will test a new way to measure the characteristic "influence radius" of AGN with different intensities.

The relativistic jet of the γ-ray emitting narrow-line Seyfert 1 galaxy 1H 0323+342

NASA Astrophysics Data System (ADS)

Kynoch, Daniel; Landt, Hermine; Ward, Martin J.; Done, Chris; Gardner, Emma; Boisson, Catherine; Arrieta-Lobo, Maialen; Zech, Andreas; Steenbrugge, Katrien; Pereira Santaella, Miguel

2018-03-01

The detection of several radio-loud narrow-line Seyfert 1 (NLS1) galaxies by the Fermi Gamma-Ray Space Telescope hints at the existence of a rare, new class of γ-ray emitting active galactic nuclei with low black hole masses. Like flat spectrum radio quasars (FSRQs), their γ-ray emission is thought to be produced via the external Compton mechanism whereby relativistic jet electrons upscatter a photon field external to the jet, e.g. from the accretion disc, broad line region (BLR), and dusty torus, to higher energies. Here we study the origin of the γ-ray emission in the lowest-redshift candidate among the currently known γ-ray emitting NLS1s, 1H 0323+342, and take a new approach. We observationally constrain the external photon field using quasi-simultaneous near-infrared, optical, and X-ray spectroscopy. Applying a one-zone leptonic jet model, we simulate the range of jet parameters for which this photon field, when Compton scattered to higher energies, can explain the γ-ray emission. We find that the site of the γ-ray emission lies well within the BLR and that the seed photons mainly originate from the accretion disc. The jet power that we determine, 1.0 × 1045 erg s-1, is approximately half the accretion disc luminosity. We show that this object is not simply a low-mass FSRQ, its jet is intrinsically less powerful than predicted by scaling a typical FSRQ jet by black hole mass and accretion rate. That γ-ray-emitting NLS1s appear to host underpowered jets may go some way to explaining why so few have been detected to date.

NMR crystallography to probe the breathing effect of the MIL-53(Al) metal-organic framework using solid-state NMR measurements of 13C-27Al distances.

PubMed

Giovine, Raynald; Volkringer, Christophe; Trébosc, Julien; Amoureux, Jean Paul; Loiseau, Thierry; Lafon, Olivier; Pourpoint, Frédérique

2017-03-01

The metal-organic framework MIL-53(Al) (aluminium terephthalate) exhibits a structural transition between two porous structures with large pore (lp) or narrow pore (np) configurations. This transition, called the breathing effect, is observed upon changes in temperature or external pressure, as well as with the adsorption of guest molecules, such as H 2 O, within the pores. We show here how these different pore openings can be detected by observing the dephasing of 13 C magnetization under 13 C- 27 Al dipolar couplings using Rotational-Echo Saturation-Pulse Double-Resonance (RESPDOR) solid-state NMR experiments with Simultaneous Frequency and Amplitude Modulation (SFAM) recoupling. These double-resonance NMR experiments between 13 C and 27 Al nuclei, which have close Larmor frequencies, are feasible thanks to the use of a frequency splitter. The experimental SFAM-RESPDOR signal fractions agree well with those simulated from the MIL-53(Al)-lp and -np crystal structures obtained from powder X-ray diffraction analysis. Hence, these 13 C- 27 Al solid-state NMR experiments validate these structures and confirm their rigidity. A similar agreement is reported for the framework ligands in the as-synthesized (as) MIL-53(Al), in which the pores contain free ligands. Furthermore, in this case, 13 C-{ 27 Al} SFAM-RESPDOR experiments allow an estimation of the average distance between the free ligands and the 27 Al nuclei of the framework.

Backbone dynamics of a model membrane protein: assignment of the carbonyl carbon /sup 13/C NMR resonances in detergent-solubilized M13 coat protein

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

Henry, G.D.; Weiner, J.H.; Sykes, B.D.

The major coat protein of the filamentous bacteriophage M13 is a 50-residue amphiphilic polypeptide which is inserted, as an integral membrane-spanning protein, in the inner membrane of the Escherichia coli host during infection. /sup 13/C was incorporated biosynthetically into a total of 23 of the peptide carbonyls using labeled amino acids (alanine, glycine, lysine, phenylalanine, and proline). The structure and dynamics of carbonyl-labeled M13 coat protein were monitored by /sup 13/C nuclear magnetic resonance (NMR) spectroscopy. Assignment of many resonances was achieved by using protease digestion, pH titration, or labeling of the peptide bond with both /sup 13/C and /supmore » 15/N. The carbonyl region of the natural-abundance /sup 13/C NMR spectrum of M13 coat protein in sodium dodecyl sulfate solution shows approximately eight backbone carbonyl resonances with line widths much narrower than the rest. Three of these more mobile residues correspond to assigned peaks (glycine-3, lysine-48, and alanine-49) in the individual amino acid spectra, and another almost certainly arises from glutamic acid-2. A ninth residue, alanine-1, also gives rise to a very narrow carbonyl resonance if the pH is well above or below the pK/sub a/ of the terminal amino group. These data suggest that only about four residues at either end of the protein experience large-amplitude spatial fluctuations; the rest of the molecule is essentially rigid on the time scale of the overall rotational tumbling of the protein-detergent complex. The relative exposure of different regions of detergent-bound protein was monitored by limited digestion with proteinase K. Comparable spectra and digestion patterns were obtained when the protein was solubilized in sodium deoxycholate, suggesting that the coat protein binds both amphiphiles in a similar fashion.« less

WPVS 007: Dramatic Broad Absorption Line Variability in a Narrow-line Seyfert 1

NASA Astrophysics Data System (ADS)

Cooper, Erin M.; Leighly, K.; Hamann, F. W.; Grupe, D.; Dietrich, M.

2014-01-01

Blue-shifted broad absorption lines are the manifestation of gaseous outflows in astrophysical phenomena. In active galaxies, these outflowing winds may play a key role in the central engine physics by removing angular momentum and in influencing host galaxy evolution by imparting energy and chemically enriched gas to the surrounding medium. AGN wind variability affords us a valuable tool to study this still poorly understood phenomenon. The existence of a high velocity broad line outflow in WPVS007 is especially extraordinary, as Seyfert-luminosity active galaxies are unexpected to produce them. With its lower luminosity and compact size, the NLS1 galaxy WPVS007 (M_V=-19.7, z=0.02882) provides us the ability to study even colossal variability on merely human timescales. Since its 1996 FOS observation, displaying miniBALs but no true broad absorption lines, WPVS007 has experienced a short but rich history of UV BAL variability. By the 2003 FUSE observation, WPVS007 had developed a BAL with v_max ~ 6000km/s, indicating an optically thick, high velocity outflow. We present the 2010 and 2013 June and December HST COS spectra. Between 2003 and 2010, both the maximum and minimum outflow velocity had increased substantially. As of 2013 June, the continuum emission has since dimmed by a factor of ~2 and the BALs have appeared to weaken, with both decreased maximum and minimum velocities. Such dramatic shifts in BAL velocity are unprecedented, as BAL variability is typically confined to changes in optical depth. What is the nature of the variability in this BAL wind? The upcoming (as of the writing of this abstract) December observation should give us more insight into tackling that question, whether it be the transient response of a continuous flow to a fluctuating continuum or perhaps the continued decline of a discrete outflow event.

Investigation of Local Structures in Cation-ordered Microwave Dielectric A Solid-state NMR and First Principle Calculation Study

NASA Astrophysics Data System (ADS)

Kalfarisi, Rony G.

Solid-state Nuclear Magnetic Resonance (ssNMR) spectroscopy has proven to be a powerful method to probe the local structure and dynamics of a system. In powdered solids, the nuclear spins experience various anisotropic interactions which depend on the molecular orientation. These anisotropic interactions make ssNMR very useful as they give a specific appearance to the resonance lines of the spectra. The position and shape of these resonance lines can be related to local structure and dynamics of the system under study. My research interest has focused around studying local structures and dynamics of quadrupolar nuclei in materials using ssNMR spectroscopy. 7Li and 93Nb ssNMR magic angle spinning (MAS) spectra, acquired at 17.6 and 7.06 T, have been used to evaluate the structural and dynamical properties of cation-ordered microwave dielectric materials. Microwave dielectric materials are essential in the application of wireless telecommunication, biomedical engineering, and other scientific and industrial implementations that use radio and microwave signals. The study of the local environment with respect to average structure, such as X-ray diffraction study, is essential for the better understanding of the correlations between structures and properties of these materials. The investigation for short and medium range can be performed with the use of ssNMR techniques. Even though XRD results show cationic ordering at the B-site (third coordination sphere), NMR spectra show a presence of disorder materials. This was indicated by the observation of a distribution in NMR parameters derived from experimental . {93}Nb NMR spectraand supported by theoretical calculations.

Hyperpolarized 131Xe NMR spectroscopy

PubMed Central

Stupic, Karl F.; Cleveland, Zackary I.; Pavlovskaya, Galina E.; Meersmann, Thomas

2011-01-01

Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented. PMID:21051249

Wide-line NMR and DSC studies on intrinsically disordered p53 transactivation domain and its helically pre-structured segment

PubMed Central

Tompa, Peter; Han, Kyou-Hoon; Bokor, Mónika; Kamasa, Pawel; Tantos, Ágnes; Fritz, Beáta; Kim, Do-Hyoung; Lee, Chewook; Verebélyi, Tamás; Tompa, Kálmán

2016-01-01

Wide-line 1H NMR intensity and differential scanning calorimetry measurements were carried out on the intrinsically disordered 73-residue full transactivation domain (TAD) of the p53 tumor suppressor protein and two peptides: one a wild type p53 TAD peptide with a helix pre-structuring property, and a mutant peptide with a disabled helix-forming propensity. Measurements were carried out in order to characterize their water and ion binding characteristics. By quantifying the number of hydrate water molecules, we provide a microscopic description for the interactions of water with a wild-type p53 TAD and two p53 TAD peptides. The results provide direct evidence that intrinsically disordered proteins (IDPs) and a less structured peptide not only have a higher hydration capacity than globular proteins, but are also able to bind a larger amount of charged solute ions. [BMB Reports 2016; 49(9): 497-501] PMID:27418282

Temperature dependence of broadline NMR spectra of water-soaked, epoxy-graphite composites

NASA Astrophysics Data System (ADS)

Lawing, David; Fornes, R. E.; Gilbert, R. D.; Memory, J. D.

1981-10-01

Water-soaked, epoxy resin-graphite fiber composites show a waterline in their broadline proton NMR spectrum which indicates a state of intermediate mobility between the solid and free water liquid states. The line is still present at -42 °C, but shows a reversible decrease in amplitude with decreasing temperature. The line is isotropic upon rotation of the fiber axis with respect to the external magnetic field.

LC-UV-solid-phase extraction-NMR-MS combined with a cryogenic flow probe and its application to the identification of compounds present in Greek oregano.

PubMed

Exarchou, Vassiliki; Godejohann, Markus; van Beek, Teris A; Gerothanassis, Ioannis P; Vervoort, Jacques

2003-11-15

Structure elucidation of natural products usually relies on a combination of NMR spectroscopy with mass spectrometry whereby NMR trails MS in terms of the minimum sample amount required. In the present study, the usefulness of on-line solid-phase extraction (SPE) in LC-NMR for peak storage after the LC separation prior to NMR analysis is demonstrated. The SPE unit allows the use of normal protonated solvents for the LC separation and fully deuterated solvents for flushing the trapped compounds to the NMR probe. Thus, solvent suppression is no longer necessary. Multiple trapping of the same analyte from repeated LC injections was utilized to solve the problem of low concentration and to obtain 2D heteronuclear NMR spectra. In addition, a combination of the SPE unit with a recently developed cryoflow NMR probe and an MS was evaluated. This on-line LC-UV-SPE-NMR-MS system was used for the automated analysis of a Greek oregano extract. Combining the data provided by the UV, MS, and NMR spectra, the flavonoids taxifolin, aromadendrin, eriodictyol, naringenin, and apigenin, the phenolic acid rosmarinic acid, and the monoterpene carvacrol were identified. This automated technique is very useful for natural product analysis, and the large sensitivity improvement leads to significantly reduced NMR acquisition times.

NMR studies of the helical antiferromagnetic compound EuCo2P2

NASA Astrophysics Data System (ADS)

Higa, N.; Ding, Q.-P.; Kubota, F.; Uehara, H.; Yogi, M.; Furukawa, Y.; Sangeetha, N. S.; Johnston, D. C.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

In EuCo2P2, 4f electron spins of Eu2+ ions order antiferromagnetically below a Néel temperature TN = 66.5 K . The magnetic structure below TN was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo2P2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicate homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. We have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.

NMR of lignins

Treesearch

John Ralph; Larry L. Landucci

2010-01-01

This chapter will consider the basic aspects and findings of several forms of NMR spectroscopy, including separate discussions of proton, carbon, heteronuclear, and multidimensional NMR. Enhanced focus will be on 13C NMR, because of its qualitative and quantitative importance, followed by NMR’s contributions to our understanding of lignin...

The First GeV Outburst of the Radio-loud Narrow-line Seyfert 1 Galaxy PKS 1502+036

NASA Astrophysics Data System (ADS)

Paliya, Vaidehi S.; Stalin, C. S.

2016-03-01

The γ-ray-loud narrow-line Seyfert 1 (γ-NLSy1) galaxy PKS 1502+036 (z = 0.409) exhibited its first γ-ray outburst on 2015 December 20. In the energy range of 0.1-300 GeV, the highest flux measured by the Fermi-Large Area Telescope is (3.90 ± 1.52) × 10-6 {ph} {{cm}}-2 {{{s}}}-1, which is the highest γ-ray flux ever detected from this object. The associated spectral shape is soft (Γ0.1-300 GeV = 2.57 ± 0.17) and this corresponds to an isotropic γ-ray luminosity of (1.2 ± 0.6) × 1048 erg s-1. We generate the broadband spectral energy distribution (SED) during the GeV flare and reproduce it using a one-zone leptonic emission model. The optical-UV spectrum can be explained by a combination of synchrotron and accretion disk emission, whereas the X-ray-to-γ-ray SED can be satisfactorily reproduced by inverse-Compton scattering of thermal photons that originated from the torus. The derived SED parameters hint that the increase in the bulk Lorentz factor is a major cause of the flare and the location of the emission region is estimated as being outside the broad-line region but still inside the torus. A comparison of the GeV-flaring SED of PKS 1502+036 with that of two other γ-NLSy1 galaxies, namely, 1H 0323+342 (z = 0.061) and PMN J0948+0022 (z = 0.585), and also with flat spectrum radio quasar (FSRQ) 3C 279 (z = 0.536), has led to the conclusion that the GeV-flaring SEDs of γ-NLSy1 galaxies resemble FSRQs and a major fraction of their bolometric luminosities are emitted at γ-ray energies.

Susceptibility-matched plugs for microcoil NMR probes

NASA Astrophysics Data System (ADS)

Kc, Ravi; Gowda, Yashas N.; Djukovic, Danijel; Henry, Ian D.; Park, Gregory H. J.; Raftery, Daniel

2010-07-01

For mass-limited samples, the residual sample volume outside the detection coil is an important concern, as is good base line resolution. Here, we present the construction and evaluation of magnetic susceptibility-matched plugs for microcoil NMR sample cells which address these issues. Mixed-epoxy glue and ultem tube plugs that have susceptibility values close to those of perfluorocarbon FC-43 (fluorinert) and copper were used in small volume (0.5-2 μL) and larger volume (15-20 μL) thin glass capillary sample cells. Using these plugs, the sample volume efficiency (i.e. ratio of active volume to total sample volume in the microcoil NMR cell) was improved by 6-12-fold without sensitivity and resolution trade-offs. Comparison with laser etched or heat etched microcoil sample cells is provided. The approaches described are potentially useful in metabolomics for biomarkers detection in mass limited biological samples.

Global e-VLBI observations of the gamma-ray narrow line Seyfert 1 PMN J0948+0022

NASA Astrophysics Data System (ADS)

Giroletti, M.; Paragi, Z.; Bignall, H.; Doi, A.; Foschini, L.; Gabányi, K. É.; Reynolds, C.; Blanchard, J.; Campbell, R. M.; Colomer, F.; Hong, X.; Kadler, M.; Kino, M.; van Langevelde, H. J.; Nagai, H.; Phillips, C.; Sekido, M.; Szomoru, A.; Tzioumis, A. K.

2011-04-01

Context. There is growing evidence of relativistic jets in radio-loud narrow-line Seyfert 1 (RL-NLS1) galaxies. Aims: We constrain the observational properties of the radio emission in the first RL-NLS1 galaxy ever detected in gamma-rays, PMN J0948+0022, i.e., its flux density and structure in both total intensity and polarization, its compactness, and variability. Methods: We performed three real-time e-VLBI observations of PMN J0948+0022 at 22 GHz, using a global array including telescopes in Europe, East Asia, and Australia. These are the first e-VLBI science observations ever carried out with a global array, reaching a maximum baseline length of 12 458 km. The observations were part of a large multiwavelength campaign in 2009. Results: The source is detected at all three epochs. The structure is dominated by a bright component, more compact than 55 μas, with a fainter component at a position angle θ ~ 35°. Relativistic beaming is required by the observed brightness temperature of 3.4 × 1011 K. Polarization is detected at a level of about 1%. Conclusions: The parameters derived by the VLBI observations, in addition to the broad-band properties, confirm that PMN J0948+0022 is similar to flat spectrum radio quasars. Global e-VLBI is a reliable and promising technique for future studies.

Is Perceptual Narrowing Too Narrow?

ERIC Educational Resources Information Center

Cashon, Cara H.; Denicola, Christopher A.

2011-01-01

There is a growing list of examples illustrating that infants are transitioning from having earlier abilities that appear more "universal," "broadly tuned," or "unconstrained" to having later abilities that appear more "specialized," "narrowly tuned," or "constrained." Perceptual narrowing, a well-known phenomenon related to face, speech, and…

77Se NMR Investigation of the KxFe2−ySe2 high-Tc Superconductor (Tc = 33 K)

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

Petrovic, C.; Torchetti, D.A. Fu, M.; Christensen, D.C.

2011-03-18

We report comprehensive {sup 77}Se NMR measurements on a single crystalline sample of the recently discovered FeSe-based high-temperature superconductor K{sub x}Fe{sub 2-y}Se{sub 2} (T{sub c} = 33 K) in a broad temperature range up to 290 K. Despite deviations from the stoichiometric KFe{sub 2}Se{sub 2} composition, we observed {sup 77}Se NMR line shapes as narrow as 4.5 kHz under a magnetic field applied along the crystal c axis, and found no evidence for co-existence of magnetic order with superconductivity. On the other hand, the {sup 77}Se NMR line shape splits into two peaks with equal intensities at all temperatures whenmore » we apply the magnetic field along the ab plane. This suggests that K vacancies may have a superstructure and that the local symmetry of the Se sites is lower than the tetragonal fourfold symmetry of the average structure. This effect might be a prerequisite for stabilizing the s{sub {+-}} symmetry of superconductivity in the absence of the hole bands at the Brillouin zone center. From the increase of NMR linewidth below T{sub c} induced by the Abrikosov lattice of superconducting vortices, we estimate the in-plane penetration depth {lambda}{sub ab} {approx} 290 nm and the carrier concentration n{sub e} {approx} 1 x 10{sup +21} cm{sup -3}. Our Knight shift {sup 77}K data indicate that the uniform spin susceptibility decreases progressively with temperature, in analogy with the case of FeSe (T{sub c} {approx} 9 K) as well as other FeAs high-T{sub c} systems. The strong suppression of {sup 77}K observed immediately below T{sub c} for all crystal orientations is consistent with a singlet pairing of Cooper pairs. We do not however observe the Hebel-Slichter coherence peak of the nuclear spin-lattice relaxation rate 1/T1 immediately below T{sub c}, expected for conventional BCS s-wave superconductors. In contrast with the case of FeSe, we do not observe evidence for an enhancement of low-frequency antiferromagnetic spin fluctuations near T

Speeding up NMR by in Situ Photo-Induced Reversible Acceleration of T1 -Relaxation (PIRAT).

PubMed

Stadler, Eduard; Dommaschk, Marcel; Frühwirt, Philipp; Herges, Rainer; Gescheidt, Georg

2018-03-05

Increasing the signal-to-noise ratio is one of the major goals in the field of NMR spectroscopy. In this proof of concept, we accelerate relaxation during an NMR pulse sequence using photo-generated paramagnetic states of an inert sensitizer. For the follow-up acquisition period, the system is converted to a diamagnetic state. The reversibility of the photo-induced switching allows extensive repetition required for multidimensional NMR. We thus eliminate the obstacle of line-broadening by the presence of paramagnetic species. In this contribution, we show how cycling of synchronized light/pulse sequences leads to an enhanced efficiency in multidimensional NMR. Our approach utilizes a molecular spin switch reversibly altering between a paramagnetic and diamagnetic state. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Compressed NMR: Combining compressive sampling and pure shift NMR techniques.

PubMed

Aguilar, Juan A; Kenwright, Alan M

2017-12-26

Historically, the resolution of multidimensional nuclear magnetic resonance (NMR) has been orders of magnitude lower than the intrinsic resolution that NMR spectrometers are capable of producing. The slowness of Nyquist sampling as well as the existence of signals as multiplets instead of singlets have been two of the main reasons for this underperformance. Fortunately, two compressive techniques have appeared that can overcome these limitations. Compressive sensing, also known as compressed sampling (CS), avoids the first limitation by exploiting the compressibility of typical NMR spectra, thus allowing sampling at sub-Nyquist rates, and pure shift techniques eliminate the second issue "compressing" multiplets into singlets. This paper explores the possibilities and challenges presented by this combination (compressed NMR). First, a description of the CS framework is given, followed by a description of the importance of combining it with the right pure shift experiment. Second, examples of compressed NMR spectra and how they can be combined with covariance methods will be shown. Copyright © 2017 John Wiley & Sons, Ltd.

Requirements on paramagnetic relaxation enhancement data for membrane protein structure determination by NMR.

PubMed

Gottstein, Daniel; Reckel, Sina; Dötsch, Volker; Güntert, Peter

2012-06-06

Nuclear magnetic resonance (NMR) structure calculations of the α-helical integral membrane proteins DsbB, GlpG, and halorhodopsin show that distance restraints from paramagnetic relaxation enhancement (PRE) can provide sufficient structural information to determine their structure with an accuracy of about 1.5 Å in the absence of other long-range conformational restraints. Our systematic study with simulated NMR data shows that about one spin label per transmembrane helix is necessary for obtaining enough PRE distance restraints to exclude wrong topologies, such as pseudo mirror images, if only limited other NMR restraints are available. Consequently, an experimentally realistic amount of PRE data enables α-helical membrane protein structure determinations that would not be feasible with the very limited amount of conventional NOESY data normally available for these systems. These findings are in line with our recent first de novo NMR structure determination of a heptahelical integral membrane protein, proteorhodopsin, that relied extensively on PRE data. Copyright © 2012 Elsevier Ltd. All rights reserved.

Multifrequency studies of the narrow-line Seyfert 1 galaxy SBS 0846+513

DOE PAGES

D'Ammando, F.; Orienti, M.; Finke, J.; ...

2013-09-16

Here, the narrow-line Seyfert 1 galaxy SBS 0846+513 was first detected by the Large Area Telescope on board Fermi in 2011 June–July when it underwent a period of flaring activity. Since then, as Fermi continues to accumulate data on this source, its flux has been monitored on a daily basis. Two further γ-ray flaring episodes from SBS 0846+513 were observed in 2012 May and August, reaching a daily peak flux integrated above 100 MeV of (50 ± 12) × 10 –8 ph cm –2 s –1, and (73 ± 14) × 10 –8 ph cm –2 s –1 on Maymore » 24 and August 7, respectively. Three outbursts were detected at 15 GHz by the Owens Valley Radio Observatory 40 m telescope in 2012 May, 2012 October and 2013 January, suggesting a complex connection with the γ-ray activity. The most likely scenario suggests that the 2012 May γ-ray flare may not be directly related to the radio activity observed over the same period, while the two γ-ray flaring episodes may be related to the radio activity observed at 15 GHz in 2012 October and 2013 January. The γ-ray flare in 2012 May triggered Swift observations that confirmed that SBS 0846+513 was also exhibiting high activity in the optical, UV and X-ray bands, thus providing a firm identification between the γ-ray source and the lower energy counterpart. We compared the spectral energy distribution (SED) of the flaring state in 2012 May with that of a quiescent state. The two SEDs, modelled as an external Compton component of seed photons from a dust torus, could be fitted by changing the electron distribution parameters as well as the magnetic field. No significant evidence of thermal emission from the accretion disc has been observed. Interestingly, in the 5 GHz radio luminosity versus synchrotron peak frequency plot SBS 0846+513 seems to lie in the flat spectrum radio quasar part of the so-called ‘blazar sequence’.« less

Elucidating proline dynamics in spider dragline silk fibre using 2H-13C HETCOR MAS NMR.

PubMed

Shi, Xiangyan; Yarger, Jeffery L; Holland, Gregory P

2014-05-14

(2)H-(13)C HETCOR MAS NMR is performed on (2)H/(13)C/(15)N-Pro enriched A. aurantia dragline silk. Proline dynamics are extracted from (2)H NMR line shapes and T1 in a site-specific manner to elucidate the backbone and side chain molecular dynamics for the MaSp2 GPGXX β-turn regions for spider dragline silk in the dry and wet, supercontracted states.

NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy

ERIC Educational Resources Information Center

Alonso, David E.; Warren, Steven E.

2005-01-01

A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…

Narrow polarized components in the OH 1612-MHz maser emission from supergiant OH-IR sources

NASA Technical Reports Server (NTRS)

Cohen, R. J.; Downs, G.; Emerson, R.; Grimm, M.; Gulkis, S.; Stevens, G.

1987-01-01

High-resolution (300 Hz) OH 1612-MHz spectra of the supergiant OH-IR sources VY CMa, VX Sgr, IRC 10420, and NML Cyg are presented. Linewidths as small as 550 Hz (0.1 km/s) are found for narrow components in the spectra. The present results are consistent with current models for maser line-narrowing and for the physical properties in the OH maser regions. A significant degree of circular polarization is noted in many of the narrow components. The circular polarization suggests the presence of magnetic fields of about 1 mG in the circumstellar envelopes which would be strong enough to influence the outflow from the stars, and which may explain asymmetries found in the circumstellar envelopes.

Susceptibility-matched plugs for microcoil NMR probes.

PubMed

Kc, Ravi; Gowda, Yashas N; Djukovic, Danijel; Henry, Ian D; Park, Gregory H J; Raftery, Daniel

2010-07-01

For mass-limited samples, the residual sample volume outside the detection coil is an important concern, as is good base line resolution. Here, we present the construction and evaluation of magnetic susceptibility-matched plugs for microcoil NMR sample cells which address these issues. Mixed-epoxy glue and ultem tube plugs that have susceptibility values close to those of perfluorocarbon FC-43 (fluorinert) and copper were used in small volume (0.5-2 microL) and larger volume (15-20 microL) thin glass capillary sample cells. Using these plugs, the sample volume efficiency (i.e. ratio of active volume to total sample volume in the microcoil NMR cell) was improved by 6-12-fold without sensitivity and resolution trade-offs. Comparison with laser etched or heat etched microcoil sample cells is provided. The approaches described are potentially useful in metabolomics for biomarkers detection in mass limited biological samples. Copyright (c) 2010 Elsevier Inc. All rights reserved.

Susceptibility-matched plugs for microcoil NMR probes

PubMed Central

Kc, Ravi; Gowda, Yashas N.; Djukovic, Danijel; Henry, Ian D; Park, Gregory H J; Raftery, Daniel

2010-01-01

For mass limited samples, the residual sample volume outside the detection coil is an important concern, as is good base line resolution. Here, we present the construction and evaluation of magnetic susceptibility-matched plugs for microcoil NMR sample cells which address these issues. Mixed-epoxy glue and ultem tube plugs that have susceptibility values close to those of perfluorocarbon FC-43 (fluorinert) and copper were used in small volume (0.5 to 2 μL) and larger volume (15 to 20 μL) thin glass capillary sample cells. Using these plugs, the sample volume efficiency (i.e. ratio of active volume to total sample volume in the microcoil NMR cell) was improved by 6 to 12 fold without sensitivity and resolution trade-offs. Comparison with laser etched or heat etched microcoil sample cells is provided. The approaches described are potentially useful in metabolomics for biomarkers detection in mass limited biological samples. PMID:20510638

Externally initiated regioregular P3HT with controlled molecular weight and narrow polydispersity.

PubMed

Bronstein, Hugo A; Luscombe, Christine K

2009-09-16

The ability of chemists to design and synthesize pi-conjugated organic polymers with precise control remains the key to technological breakthroughs for using polymer materials in electronic and photonic devices. In this communication, the controlled chain-growth polymerization of regioregular poly(3-hexylthiophene) (P3HT) from an external initiator using 1,3-bis(diphenylphosphino)propane (dppp) as a catalyst ligand is reported. The complexes cis-chloro(phenyl)(dppp)nickel(II) and cis-chloro(o-tolyl)(dppp)nickel(II) were synthesized and characterized by (31)P NMR spectroscopy. These complexes served as initiators in the polymerization of 2-bromo-5-chloromagnesio-3-hexylthiophene in THF at room temperature, affording fully regioregular P3HT with controlled molecular weights and narrow molecular weight distributions, as demonstrated by gel-permeation chromatography and (1)H NMR spectroscopy. MALDI-TOF mass spectrometry revealed that the polymers had almost complete incorporation of the initiating aryl group, and when the aryl group was o-tolyl, only Tol/H end groups were observed. Although external initiators have been used previously with a PPh(3) ligand, that methodology led to polymers with broad molecular weight distributions. This is the first example in which complete control over the externally initiated P3HT polymerization has been achieved.

NMR studies of the helical antiferromagnetic compound EuCo 2P 2

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

Higa, N.; Ding, Q. -P.; Johnston, D. C.

In EuCo 2P 2, 4 f electron spins of Eu 2+ ions order antiferromagnetically below a Neel temperature T N = 66.5K. The magnetic structure below T N was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo 2P 2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicatemore » homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. In conclusion, we have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.« less

NMR studies of the helical antiferromagnetic compound EuCo 2P 2

DOE PAGES

Higa, N.; Ding, Q. -P.; Johnston, D. C.; ...

2017-09-18

In EuCo 2P 2, 4 f electron spins of Eu 2+ ions order antiferromagnetically below a Neel temperature T N = 66.5K. The magnetic structure below T N was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo 2P 2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicatemore » homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. In conclusion, we have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.« less

Theoretical study on the ultra-narrow bandwidth tunable atomic filter with electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Liu, Yang; Li, Shu-qing; Feng, Zhong-ying; Liu, Xiao-fei; Gao, Jin-yue

2016-12-01

To obtain the weak signal light detection from the high background noise, we present a theoretical study on the ultra-narrow bandwidth tunable atomic filter with electromagnetically induced transparency. In a three-level Λ -type atomic system in the rubidium D1 line, the bandwidth of the EIT atomic filter is narrowed to ~6.5 \\text{MHz} . And the single peak transmission of the filter can be up to 86% . Moreover, the transmission wavelength can be tuned by changing the coupling light frequency. This theoretical scheme can also be applied to other alkali atomic systems.

Rhodopsin-lipid interactions studied by NMR.

PubMed

Soubias, Olivier; Gawrisch, Klaus

2013-01-01

The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. Copyright © 2013 Elsevier Inc. All rights reserved.

Measurement and Quantification of Heterogeneity, Flow, and Mass Transfer in Porous Media Using NMR Low-Field Techiques

NASA Astrophysics Data System (ADS)

Paciok, E.; Olaru, A. M.; Haber, A.; van Landeghem, M.; Haber-Pohlmeier, S.; Sucre, O. E.; Perlo, J.; Casanova, F.; Blümich, B.; RWTH Aachen Mobile Low-Field NMR

2011-12-01

Nuclear magnetic resonance (NMR) is renowned for its unique potential to both reveal and correlate spectroscopic, relaxometric, spatial and dynamic properties in a large variety of organic and inorganic systems. NMR has no restrictions regarding sample opacity and is an entirely non-invasive method, which makes it the ideal tool for the investigation of porous media. However, for years NMR research of soils was limited by the use of high-field NMR devices, which necessitated elaborate NMR experiments and were not applicable to bulky samples or on-site field measurements. The evolution of low-field NMR devices during the past 20 years has brought forth portable, small-scale NMR systems with open and closed magnet arrangements specialized to specific NMR applications. In combination with recent advances in 2D-NMR Laplace methodology [1], low-field NMR has opened up the possibility to study real-life microporous systems ranging from granular media to natural soils and oil well boreholes. Thus, information becomes available, which before has not been accessible with high-field NMR. In this work, we present our recent progress in mobile low-field NMR probe design for field measurements of natural soils: a slim-line logging tool, which can be rammed into the soil of interest on-site. The performance of the device is demonstrated in measurements of moisture profiles of model soils [2] and field measurements of relaxometric properties and moisture profiles of natural soils [3]. Moreover, an improved concept of the slim-line logging tool is shown, with a higher excitation volume and a better signal-to-noise due to an improved coil design. Furthermore, we present our recent results in 2D exchange relaxometry and simulation. These include relaxation-relaxation experiments on natural soils with varying degree of moisture saturation, where we could draw a connection between the relaxometric properties of the soil to its pore size-related diffusivity and to its clay content

Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data.

PubMed

Teixeira, João M C; Skinner, Simon P; Arbesú, Miguel; Breeze, Alexander L; Pons, Miquel

2018-05-11

We present Farseer-NMR ( https://git.io/vAueU ), a software package to treat, evaluate and combine NMR spectroscopic data from sets of protein-derived peaklists covering a range of experimental conditions. The combined advances in NMR and molecular biology enable the study of complex biomolecular systems such as flexible proteins or large multibody complexes, which display a strong and functionally relevant response to their environmental conditions, e.g. the presence of ligands, site-directed mutations, post translational modifications, molecular crowders or the chemical composition of the solution. These advances have created a growing need to analyse those systems' responses to multiple variables. The combined analysis of NMR peaklists from large and multivariable datasets has become a new bottleneck in the NMR analysis pipeline, whereby information-rich NMR-derived parameters have to be manually generated, which can be tedious, repetitive and prone to human error, or even unfeasible for very large datasets. There is a persistent gap in the development and distribution of software focused on peaklist treatment, analysis and representation, and specifically able to handle large multivariable datasets, which are becoming more commonplace. In this regard, Farseer-NMR aims to close this longstanding gap in the automated NMR user pipeline and, altogether, reduce the time burden of analysis of large sets of peaklists from days/weeks to seconds/minutes. We have implemented some of the most common, as well as new, routines for calculation of NMR parameters and several publication-quality plotting templates to improve NMR data representation. Farseer-NMR has been written entirely in Python and its modular code base enables facile extension.

Intensity Variations of Narrow Bands of Solar UV Radiation during Descending Phases of SACs 21-23

NASA Astrophysics Data System (ADS)

Gigolashvili, M.; Kapanadze, N.

2014-12-01

The study of variations of four narrow bands of solar spectral irradiance (SSI) in the ultraviolet (UV) range for period 1981-2008 is presented. Observational data obtained by space-flight missions SORCE, UARS, SME and daily meanings of international sunspot number (ISN) have been used. The investigated data cover the decreasing phases of the solar activity cycles (SACs) 21, 22 and 23. We have revealed a peculiar behavior of intensity variability of some solar ultraviolet spectral lines originated in the solar chromospheres for period corresponding to the declining phase of the solar cycle 23. It is found that variability of emission of different solar spectral narrow bands (289.5 nm, 300.5 nm) does not agree equally well with ISN variability during decreasing phase of the solar activity cycle 23. The negative correlations between total solar irradiance and the solar spectral narrow bands of UV emission (298.5 nm, 300.5 nm) had been revealed. The existence of the negative correlation can be explained by the sensitivity of SSI of some emission lines to the solar global magnetic field.

A simplified scheme for generating narrow-band mid-ultraviolet laser radiation

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

Almog, G.; Ludwig-Maximilians-Universität, Geschwister-Scholl-Platz 1, 80539 München; Scholz, M., E-mail: Matthias.Scholz@toptica.com

2015-03-15

We report on the development and characterization of continuous, narrow-band, and tunable laser systems that use direct second-harmonic generation from blue and green diode lasers with an output power level of up to 11.1 mW in the mid-ultraviolet. One of our laser systems was tuned to the mercury 6{sup 1}S{sub 0} → 6{sup 3}P{sub 1} intercombination line at 253.7 nm. We could perform Doppler-free saturation spectroscopy on this line and were able to lock our laser to the transition frequency on long time scales.

Morphology of AGN Emission Line Regions in SDSS-IV MaNGA Survey

NASA Astrophysics Data System (ADS)

He, Zhicheng; Sun, Ai-Lei; Zakamska, Nadia L.; Wylezalek, Dominika; Kelly, Michael; Greene, Jenny E.; Rembold, Sandro B.; Riffel, Rogério; Riffel, Rogemar A.

2018-05-01

Extended narrow-line regions (NLRs) around active galactic nuclei (AGN) are shaped by the distribution of gas in the host galaxy and by the geometry of the circumnuclear obscuration, and thus they can be used to test the AGN unification model. In this work, we quantify the morphologies of the narrow-line regions in 308 nearby AGNs (z = 0 - 0.14, Lbol˜1042.4 - 44.1 erg s-1) from the MaNGA survey. Based on the narrow-line region maps, we find that a large fraction (81%) of these AGN have bi-conical NLR morphology. The distribution of their measured opening angles suggests that the intrinsic opening angles of the ionization cones has a mean value of 85-98° with a finite spread of 39-44° (1-σ). Our inferred opening angle distribution implies a number ratio of type I to type II AGN of 1:1.6-2.3, consistent with other measurements of the type I / type II ratio at low AGN luminosities. Combining these measurements with the WISE photometry data, we find that redder mid-IR color (lower effective temperature of dust) corresponds to stronger and narrower photo-ionized bicones. This relation is in agreement with the unification model that suggests that the bi-conical narrow-line regions are shaped by a toroidal dusty structure within a few pc from the AGN. Furthermore, we find a significant alignment between the minor axis of host galaxy disks and AGN ionization cones. Together, these findings suggest that obscuration on both circumnuclear (˜pc) and galactic (˜ kpc) scales are important in shaping and orienting the AGN narrow-line regions.

Super-massive binary black holes and emission lines in active galactic nuclei

NASA Astrophysics Data System (ADS)

Popović, Luka Č.

2012-02-01

It is now agreed that mergers play an essential role in the evolution of galaxies and therefore that mergers of supermassive black holes (SMBHs) must have been common. We see the consequences of past supermassive binary black holes (SMBs) in the light profiles of so-called 'core ellipticals' and a small number of SMBs have been detected. However, the evolution of SMBs is poorly understood. Theory predicts that SMBs should spend a substantial amount of time orbiting at velocities of a few thousand kilometers per second. If the SMBs are surrounded by gas observational effects might be expected from accretion onto one or both of the SMBHs. This could result in a binary Active Galactic Nucleus (AGN) system. Like a single AGN, such a system would emit a broad band electromagnetic spectrum and broad and narrow emission lines. The broad emission spectral lines emitted from AGNs are our main probe of the geometry and physics of the broad line region (BLR) close to the SMBH. There is a group of AGNs that emit very broad and complex line profiles, showing two displaced peaks, one blueshifted and one redshifted from the systemic velocity defined by the narrow lines, or a single such peak. It has been proposed that such line shapes could indicate an SMB system. We discuss here how the presence of an SMB will affect the BLRs of AGNs and what the observational consequences might be. We review previous claims of SMBs based on broad line profiles and find that they may have non-SMB explanations as a consequence of a complex BLR structure. Because of these effects it is very hard to put limits on the number of SMBs from broad line profiles. It is still possible, however, that unusual broad line profiles in combination with other observational effects (line ratios, quasi-periodical oscillations, spectropolarimetry, etc.) could be used for SMBs detection. Some narrow lines (e.g., [O III]) in some AGNs show a double-peaked profile. Such profiles can be caused by streams in the Narrow

Lithium ion dynamics in Li2S+GeS2+GeO2 glasses studied using (7)Li NMR field-cycling relaxometry and line-shape analysis.

PubMed

Gabriel, Jan; Petrov, Oleg V; Kim, Youngsik; Martin, Steve W; Vogel, Michael

2015-09-01

We use (7)Li NMR to study the ionic jump motion in ternary 0.5Li2S+0.5[(1-x)GeS2+xGeO2] glassy lithium ion conductors. Exploring the "mixed glass former effect" in this system led to the assumption of a homogeneous and random variation of diffusion barriers in this system. We exploit that combining traditional line-shape analysis with novel field-cycling relaxometry, it is possible to measure the spectral density of the ionic jump motion in broad frequency and temperature ranges and, thus, to determine the distribution of activation energies. Two models are employed to parameterize the (7)Li NMR data, namely, the multi-exponential autocorrelation function model and the power-law waiting times model. Careful evaluation of both of these models indicates a broadly inhomogeneous energy landscape for both the single (x=0.0) and the mixed (x=0.1) network former glasses. The multi-exponential autocorrelation function model can be well described by a Gaussian distribution of activation barriers. Applicability of the methods used and their sensitivity to microscopic details of ionic motion are discussed. Copyright © 2015 Elsevier Inc. All rights reserved.

Auto-tuning for NMR probe using LabVIEW

NASA Astrophysics Data System (ADS)

Quen, Carmen; Pham, Stephanie; Bernal, Oscar

2014-03-01

Typical manual NMR-tuning method is not suitable for broadband spectra spanning several megahertz linewidths. Among the main problems encountered during manual tuning are pulse-power reproducibility, baselines, and transmission line reflections, to name a few. We present a design of an auto-tuning system using graphic programming language, LabVIEW, to minimize these problems. The program uses a simplified model of the NMR probe conditions near perfect tuning to mimic the tuning process and predict the position of the capacitor shafts needed to achieve the desirable impedance. The tuning capacitors of the probe are controlled by stepper motors through a LabVIEW/computer interface. Our program calculates the effective capacitance needed to tune the probe and provides controlling parameters to advance the motors in the right direction. The impedance reading of a network analyzer can be used to correct the model parameters in real time for feedback control.

Quantifying Feedback from Narrow Line Region Outflows in Nearby Active Galaxies. I. Spatially Resolved Mass Outflow Rates for the Seyfert 2 Galaxy Markarian 573

NASA Astrophysics Data System (ADS)

Revalski, M.; Crenshaw, D. M.; Kraemer, S. B.; Fischer, T. C.; Schmitt, H. R.; Machuca, C.

2018-03-01

We present the first spatially resolved mass outflow rate measurements ({\\dot{M}}out}) of the optical emission line gas in the narrow line region (NLR) of a Seyfert 2 galaxy, Markarian 573. Using long slit spectra and [O III] imaging from the Hubble Space Telescope and Apache Point Observatory in conjunction with emission line diagnostics and Cloudy photoionization models, we find a peak outflow rate of {\\dot{M}}out}≈ 3.4 +/- 0.5 {M}ȯ {yr}}-1 at a distance of 210 pc from the central supermassive black hole (SMBH). The outflow extends to distances of 600 pc from the nucleus with a total mass and kinetic energy of M ≈ 2.2 × 106 M ⊙ and E ≈ 5.1 × 1054 erg, revealing the outflows to be more energetic than those in the lower luminosity Seyfert 1 galaxy NGC 4151. The peak outflow rate is an order of magnitude larger than the mass accretion and nuclear outflow rates, indicating local in situ acceleration of the circumnuclear NLR gas. We compare these results to global techniques that quantify an average outflow rate across the NLR, and find the latter are subject to larger uncertainties. These results indicate that spatially resolved observations are critical for probing AGN feedback on scales where circumnuclear star formation occurs.

nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.

PubMed

Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph A; Marcu, Ana; Grant, Jason R; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis F; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy M D; Hao, Jie; Ludwig, Christian; Günther, Ulrich L; Rosato, Antonio; Klein, Matthias S; Lewis, Ian A; Luchinat, Claudio; Jones, Andrew R; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian L; Viant, Mark R; Wishart, David S; Steinbeck, Christoph; Salek, Reza M; Neumann, Steffen

2018-01-02

NMR is a widely used analytical technique with a growing number of repositories available. As a result, demands for a vendor-agnostic, open data format for long-term archiving of NMR data have emerged with the aim to ease and encourage sharing, comparison, and reuse of NMR data. Here we present nmrML, an open XML-based exchange and storage format for NMR spectral data. The nmrML format is intended to be fully compatible with existing NMR data for chemical, biochemical, and metabolomics experiments. nmrML can capture raw NMR data, spectral data acquisition parameters, and where available spectral metadata, such as chemical structures associated with spectral assignments. The nmrML format is compatible with pure-compound NMR data for reference spectral libraries as well as NMR data from complex biomixtures, i.e., metabolomics experiments. To facilitate format conversions, we provide nmrML converters for Bruker, JEOL and Agilent/Varian vendor formats. In addition, easy-to-use Web-based spectral viewing, processing, and spectral assignment tools that read and write nmrML have been developed. Software libraries and Web services for data validation are available for tool developers and end-users. The nmrML format has already been adopted for capturing and disseminating NMR data for small molecules by several open source data processing tools and metabolomics reference spectral libraries, e.g., serving as storage format for the MetaboLights data repository. The nmrML open access data standard has been endorsed by the Metabolomics Standards Initiative (MSI), and we here encourage user participation and feedback to increase usability and make it a successful standard.

Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR.

PubMed

van der Schot, Gijs; Bonvin, Alexandre M J J

2015-08-01

We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665-1674, 2005b, doi: 10.1021/ja047109h). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27-35, 2013, doi: 10.1007/s10858-013-9762-6), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution.

Single steady frequency and narrow-linewidth external-cavity semiconductor laser

NASA Astrophysics Data System (ADS)

Zhao, Weirui; Jiang, Pengfei; Xie, Fuzeng

2003-11-01

A single longitudinal mode and narrow line width external cavity semiconductor laser is proposed. It is constructed with a semiconductor laser, collimator, a flame grating, and current and temperature control systems. The one facet of semiconductor laser is covered by high transmission film, and another is covered by high reflection film. The flame grating is used as light feedback element to select the mode of the semiconductor laser. The temperature of the constructed external cavity semiconductor laser is stabilized in order of 10-3°C by temperature control system. The experiments have been carried out and the results obtained - the spectral line width of this laser is compressed to be less than 1.4MHz from its original line-width of more than 1200GHz and the output stability (including power and mode) is remarkably enhanced.

Multiwavelength observations of the γ-ray-emitting narrow-line Seyfert 1 PMN J0948+0022 in 2011

DOE PAGES

D'Ammando, F.; Larsson, J.; Orienti, M.; ...

2014-01-28

Here, we report on radio-to-γ-ray observations during 2011 May–September of PMN J0948+0022, the first narrow-line Seyfert 1 (NLSy1) galaxy detected in γ-rays by Fermi-Large Area Telescope. Strong variability was observed in γ-rays, with two flaring periods peaking on 2011 June 20 and July 28. The variability observed in optical and near-infrared seems to have no counterpart in γ-rays. The difference in behaviour could be related to a bending and inhomogeneous jet or a turbulent extreme multicell scenario. The radio spectra showed a variability pattern typical of relativistic jets. The XMM spectrum shows that the emission from the jet dominates abovemore » ~2 keV, while a soft X-ray excess is evident in the low-energy part of the X-ray spectrum. Models where the soft emission is partly produced by blurred reflection or Comptonization of the thermal disc emission provide good fits to the data. The X-ray spectral slope is similar to that found in radio-quiet NLSy1, suggesting that a standard accretion disc is present, as expected from the high accretion rate. Except for the soft X-ray excess, unusual in jet-dominated active galactic nuclei, PMN J0948+0022, shows all characteristics of the blazar class.« less

Origin and Correction of Magnetic Field Inhomogeneity at the Interface in Biphasic NMR Samples

PubMed Central

Martin, Bryan T.; Chingas, G. C.

2012-01-01

The use of susceptibility matching to minimize spectral distortion of biphasic samples layered in a standard 5 mm NMR tube is described. The approach uses magic angle spinning (MAS) to first extract chemical shift differences by suppressing bulk magnetization. Then, using biphasic coaxial samples, magnetic susceptibilities are matched by titration with a paramagnetic salt. The matched phases are then layered in a standard NMR tube where they can be shimmed and examined. Line widths of two distinct spectral lines, selected to characterize homogeneity in each phase, are simultaneously optimized. Two-dimensional distortion-free, slice-resolved spectra of an octanol/water system illustrate the method. These data are obtained using a 2D stepped-gradient pulse sequence devised for this application. Advantages of this sequence over slice-selective methods are that acquisition efficiency is increased and processing requires only conventional software. PMID:22459062

Impurity-induced photoconductivity of narrow-gap Cadmium–Mercury–Telluride structures

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

Kozlov, D. V., E-mail: dvkoz@impras.ru; Rumyantsev, V. V.; Morozov, S. V.

2015-12-15

The photoconductivity (PC) spectra of CdHgTe (MCT) solid solutions with a Cd fraction of 17 and 19% are measured. A simple model for calculating the states of doubly charged acceptors in MCT solid solutions, which makes it possible to describe satisfactorily the observed photoconductivity spectra, is proposed. The found lines in the photoconductivity spectra of narrow-gap MCT structures are associated with transitions between the states of both charged and neutral acceptor centers.

NMR analysis of biodiesel

USDA-ARS?s Scientific Manuscript database

Biodiesel is usually analyzed by the various methods called for in standards such as ASTM D6751 and EN 14214. Nuclear magnetic resonance (NMR) is not one of these methods. However, NMR, with 1H-NMR commonly applied, can be useful in a variety of applications related to biodiesel. These include monit...

The Jet-driven Outflow in the Radio Galaxy SDSS J1517+3353: Implications for Double-peaked Narrow-line Active Galactic Nucleus

NASA Astrophysics Data System (ADS)

Rosario, D. J.; Shields, G. A.; Taylor, G. B.; Salviander, S.; Smith, K. L.

2010-06-01

true black-hole binaries. J1517+3353 is a remarkable laboratory for AGN feedback and warrants deeper follow-up study. In the Appendix, we present high-resolution radio imaging of a second AGN with double-peaked [O III] lines, SDSS J112939.78+605742.6, which shows a sub-arcsecond radio jet. If the double-peaked nature of the narrow lines in radio-loud AGNs are generally due to radio jet interactions, we suggest that extended radio structure should be expected in most of such systems.

An interpretation of the narrow positron annihilation feature from X-ray nova Muscae 1991

NASA Technical Reports Server (NTRS)

Chen, Wan; Gehrels, Neil; Cheng, F. H.

1993-01-01

The physical mechanism responsible for the narrow redshifted positron annihilation gamma-ray line from the X-ray nova Muscae 1991 is studied. The orbital inclination angle of the system is estimated and its black hole mass is constrained under the assumptions that the annihilation line centroid redshift is purely gravitational and that the line width is due to the combined effect of temperature broadening and disk rotation. The large black hole mass lower limit of 8 solar and the high binary mass ratio it implies raise a serious challenge to theoretical models of the formation and evolution of massive binaries.

Adhesive micro-line periodicity determines guidance of axonal outgrowth†

PubMed Central

Huang, Yu; Fothergill, Thomas; Lumbard, Derek C.; Dent, Erik W.; Williams, Justin C.

2014-01-01

Adhesive micro-lines of various sub-cellular geometries were created using a non-traditional micro stamping technique. This technique employed the use of commercially available diffraction gratings as the molds for the micro stamps, a method which is quick and inexpensive, and which could easily be adopted as a patterning tool in a variety of research efforts. The atypical saw-tooth profile of the micro stamps enabled a unique degree of control and flexibility over patterned line and gap widths. Cortical neurons cultured on patterned poly-lysine micro-lines on PDMS exhibit a startling transition in axonal guidance: From the expected parallel guidance to an unexpected perpendicular guidance that becomes dominant as patterned lines and gaps become sufficiently narrow. This transition is most obvious when the lines are narrow relative to gaps, while the periodicity of the pattern is reduced. Axons growing perpendicular to micro-lines exhibited ‘vinculated’ growth, a unique morphological phenotype consisting of periodic orthogonal extensions along the axon. PMID:23250489

A sequential assignment procedure for proteins that have intermediate line widths in MAS NMR spectra: amyloid fibrils of human CA150.WW2.

PubMed

Becker, Johanna; Ferguson, Neil; Flinders, Jeremy; van Rossum, Barth-Jan; Fersht, Alan R; Oschkinat, Hartmut

2008-08-11

The second WW domain (WW2) of CA150, a human transcriptional activator, forms amyloid fibrils in vitro under physiological conditions. Based on experimental constraints from MAS NMR spectroscopy experiments, alanine scanning and electron microscopy, a structural model of CA150.WW2 amyloid fibrils was calculated earlier. Here, the assignment strategy is presented and suggested as a general approach for proteins that show intermediate line width. The (13)C,(13)C correlation experiments were recorded on fully or partially (13)C-labelled fibrils. The earlier (13)C assignment (26 residues) was extended to 34 of the 40 residues by direct (13)C-excitation experiments by using a deuterated sample that showed strongly improved line width. A 3D HNC-TEDOR (transferred-echo double-resonance) experiment with deuterated CA150.WW2 fibrils yielded 14 amide nitrogen and proton resonance assignments. The obtained chemical shifts were compared with the chemical shifts determined with the natively folded WW domain. TALOS (Torsion angle likelihood obtained from shift and sequence similarity) predictions confirmed that, under physiological conditions, the fibrillar form of CA150.WW2 adopts a significantly different beta structure than the native WW-domain fold.

Interactions between cations and peat organic matter monitored with NMR wideline, static and FFC NMR relaxometry

NASA Astrophysics Data System (ADS)

Schaumann, Gabriele E.; Conte, Pellegrino; Jäger, Alexander; Alonzo, Giuseppe; Bertmer, Marko

2010-05-01

detailed explanation. Wideline proton NMR spectra can be used to quantify proton containing material, mainly water, based on their mobility. Spectra were decomposed into a Gaussian and Lorentzian line and changes to mobility after heat treatment indicate the water binding strength. In this study, differences in the various NMR parameters on the cation treatments will be presented and discussed with respect to the crosslinking hypothesis.

Solid-phase extraction NMR studies of chromatographic fractions of saponins from Quillaja saponaria.

PubMed

Nyberg, Nils T; Baumann, Herbert; Kenne, Lennart

2003-01-15

The saponin mixture QH-B from the tree Quillaja saponaria var. Molina was fractionated by RP-HPLC in several steps. The fractions were analyzed by solid-phase extraction NMR (SPE-NMR), a technique combining the workup by solid-phase extraction with on-line coupling to an NMR flow probe. Together with MALDI-TOF mass spectrometry and comparison with chemical shifts of similar saponins, the structures of both major and minor components in QH-B could be obtained. The procedure described is a simple method to determine the structure of components in a complex mixture. The two major fractions of the mixture were found to contain at least 28 saponins, differing in the carbohydrate substructures. Eight of these have not previously been determined. The 28 saponins formed 14 equilibrium pairs by the migration of an O-acyl group between two adjacent positions on a fucosyl residue.

Solid-state 27Al MRI and NMR thermometry for catalytic applications with conventional (liquids) MRI instrumentation and techniques.

PubMed

Koptyug, Igor V; Sagdeev, Dmitry R; Gerkema, Edo; Van As, Henk; Sagdeev, Renad Z

2005-07-01

Multidimensional images of Al2O3 pellets, cordierite monolith, glass tube, polycrystalline V2O5 and other materials have been detected by 27Al, 51V, and 23Na NMR imaging using techniques and instrumentation conventionally employed for imaging of liquids. These results demonstrate that, contrary to the widely accepted opinion, imaging of "rigid" solids does not necessarily require utilization of solid state NMR imaging approaches, pulse sequences and hardware even for quadrupolar nuclei which exhibit line widths in excess of 100 kHz, such as 51V in polycrystalline V2O5. It is further demonstrated that both 27Al NMR signal intensity and spin-lattice relaxation time decrease with increasing temperature and thus can potentially serve as temperature sensitive parameters for spatially resolved NMR thermometry.

A ferromagnetic shim insert for NMR magnets - Towards an integrated gyrotron for DNP-NMR spectroscopy.

PubMed

Ryan, Herbert; van Bentum, Jan; Maly, Thorsten

2017-04-01

In recent years high-field Dynamic Nuclear Polarization (DNP) enhanced NMR spectroscopy has gained significant interest. In high-field DNP-NMR experiments (⩾400MHz 1 H NMR, ⩾9.4T) often a stand-alone gyrotron is used to generate high microwave/THz power to produce sufficiently high microwave induced B 1e fields at the position of the NMR sample. These devices typically require a second, stand-alone superconducting magnet to operate. Here we present the design and realization of a ferroshim insert, to create two iso-centers inside a commercially available wide-bore NMR magnet. This work is part of a larger project to integrate a gyrotron into NMR magnets, effectively eliminating the need for a second, stand-alone superconducting magnet. Copyright © 2017 Elsevier Inc. All rights reserved.

Simultaneous 19F-1H medium resolution NMR spectroscopy for online reaction monitoring

NASA Astrophysics Data System (ADS)

Zientek, Nicolai; Laurain, Clément; Meyer, Klas; Kraume, Matthias; Guthausen, Gisela; Maiwald, Michael

2014-12-01

Medium resolution nuclear magnetic resonance (MR-NMR) spectroscopy is currently a fast developing field, which has an enormous potential to become an important analytical tool for reaction monitoring, in hyphenated techniques, and for systematic investigations of complex mixtures. The recent developments of innovative MR-NMR spectrometers are therefore remarkable due to their possible applications in quality control, education, and process monitoring. MR-NMR spectroscopy can beneficially be applied for fast, non-invasive, and volume integrating analyses under rough environmental conditions. Within this study, a simple 1/16″ fluorinated ethylene propylene (FEP) tube with an ID of 0.04″ (1.02 mm) was used as a flow cell in combination with a 5 mm glass Dewar tube inserted into a benchtop MR-NMR spectrometer with a 1H Larmor frequency of 43.32 MHz and 40.68 MHz for 19F. For the first time, quasi-simultaneous proton and fluorine NMR spectra were recorded with a series of alternating 19F and 1H single scan spectra along the reaction time coordinate of a homogeneously catalysed esterification model reaction containing fluorinated compounds. The results were compared to quantitative NMR spectra from a hyphenated 500 MHz online NMR instrument for validation. Automation of handling, pre-processing, and analysis of NMR data becomes increasingly important for process monitoring applications of online NMR spectroscopy and for its technical and practical acceptance. Thus, NMR spectra were automatically baseline corrected and phased using the minimum entropy method. Data analysis schemes were designed such that they are based on simple direct integration or first principle line fitting, with the aim that the analysis directly revealed molar concentrations from the spectra. Finally, the performance of 1/16″ FEP tube set-up with an ID of 1.02 mm was characterised regarding the limit of detection (LOQ (1H) = 0.335 mol L-1 and LOQ (19F) = 0.130 mol L-1 for trifluoroethanol in

Auto-tuning system for NMR probe with LabView

NASA Astrophysics Data System (ADS)

Quen, Carmen; Mateo, Olivia; Bernal, Oscar

2013-03-01

Typical manual NMR-tuning method is not suitable for broadband spectra spanning several megahertz linewidths. Among the main problems encountered during manual tuning are pulse-power reproducibility, baselines, and transmission line reflections, to name a few. We present a design of an auto-tuning system using graphic programming language, LabVIEW, to minimize these problems. The program is designed to analyze the detected power signal of an antenna near the NMR probe and use this analysis to automatically tune the sample coil to match the impedance of the spectrometer (50 Ω). The tuning capacitors of the probe are controlled by a stepper motor through a LabVIEW/computer interface. Our program calculates the area of the power signal as an indicator to control the motor so disconnecting the coil to tune it through a network analyzer is unnecessary. Work supported by NSF-DMR 1105380

Scalable NMR spectroscopy with semiconductor chips

PubMed Central

Ha, Dongwan; Paulsen, Jeffrey; Sun, Nan; Song, Yi-Qiao; Ham, Donhee

2014-01-01

State-of-the-art NMR spectrometers using superconducting magnets have enabled, with their ultrafine spectral resolution, the determination of the structure of large molecules such as proteins, which is one of the most profound applications of modern NMR spectroscopy. Many chemical and biotechnological applications, however, involve only small-to-medium size molecules, for which the ultrafine resolution of the bulky, expensive, and high-maintenance NMR spectrometers is not required. For these applications, there is a critical need for portable, affordable, and low-maintenance NMR spectrometers to enable in-field, on-demand, or online applications (e.g., quality control, chemical reaction monitoring) and co-use of NMR with other analytical methods (e.g., chromatography, electrophoresis). As a critical step toward NMR spectrometer miniaturization, small permanent magnets with high field homogeneity have been developed. In contrast, NMR spectrometer electronics capable of modern multidimensional spectroscopy have thus far remained bulky. Complementing the magnet miniaturization, here we integrate the NMR spectrometer electronics into 4-mm2 silicon chips. Furthermore, we perform various multidimensional NMR spectroscopies by operating these spectrometer electronics chips together with a compact permanent magnet. This combination of the spectrometer-electronics-on-a-chip with a permanent magnet represents a useful step toward miniaturization of the overall NMR spectrometer into a portable platform. PMID:25092330

Children's Responses to Line Spacing in Early Reading Books or "Holes to Tell Which Line You're On"

ERIC Educational Resources Information Center

Reynolds, Linda; Walker, Sue; Duncan, Alison

2006-01-01

This paper describes a study designed to find out whether children's reading would be affected by line spacing that is wider or narrower than the commonly used default values. The realistic, high quality test material was set using a range of four different line spacing values, and twenty-four children in Years 1 and 2 (between five and seven…

Determinants of lens vault and association with narrow angles in patients from Singapore.

PubMed

Tan, Gavin S; He, Mingguang; Zhao, Wanting; Sakata, Lisandro M; Li, Jialiang; Nongpiur, Monisha E; Lavanya, Raghavan; Friedman, David S; Aung, Tin

2012-07-01

To describe the distribution and determinants of lens vault and to investigate the association of lens vault with narrow angles. Prospective cross-sectional study. Phakic subjects 50 years and older were evaluated at a primary healthcare clinic with gonioscopy, partial laser interferometry, and anterior segment optical coherence tomography (AS-OCT). Narrow angles were defined as posterior trabecular meshwork not visible for ≥2 quadrants on non-indentation gonioscopy. Lens vault was defined as the perpendicular distance between the anterior pole of the crystalline lens and the horizontal line joining the 2 scleral spurs on horizontal AS-OCT scans. Analysis of covariance, multivariate logistic regression, and area under the receiver operating characteristic curves (AUC) were performed. Of the 2047 subjects recruited, 582 were excluded because of poor image quality or inability to locate scleral spurs, leaving 1465 subjects for analysis. Eyes with narrow angles had greater lens vault compared to eyes with open angles (775.6 µm vs 386.5 µm, P < .0001). Women had significantly greater lens vault than men (497.28 µm vs 438.56 µm, P < .001), and lens vault increased significantly with age (P for trend <.001). Adjusted for age and sex, significant associations with greater lens vault were shorter axial length, shallower anterior chamber depth(ACD), higher intraocular pressure, and more hyperopic spherical equivalent (all P < .001). On multivariate analysis, subjects with lens vault >667.6 µm were more likely to have narrow angles (OR 2.201, 95% CI: 1.070-4.526) compared to those with lens vault ≤462.7 µm. The AUC for lens vault (0.816) and ACD (0.822) for detecting narrow angles were similar (P = .582). Lens vault was independently associated with narrow angles and may be useful in screening to detect eyes with narrow angles. Copyright © 2012 Elsevier Inc. All rights reserved.

Natural abundance 17O DNP two-dimensional and surface-enhanced NMR spectroscopy

DOE PAGES

Perras, Frédéric A.; Kobayashi, Takeshi; Pruski, Marek

2015-06-22

Due to its extremely low natural abundance and quadrupolar nature, the 17O nuclide is very rarely used for spectroscopic investigation of solids by NMR without isotope enrichment. Additionally, the applicability of dynamic nuclear polarization (DNP), which leads to sensitivity enhancements of 2 orders of magnitude, to 17O is wrought with challenges due to the lack of spin diffusion and low polarization transfer efficiency from 1H. Here, we demonstrate new DNP-based measurements that extend 17O solid-state NMR beyond its current capabilities. The use of the PRESTO technique instead of conventional 1H– 17O cross-polarization greatly improves the sensitivity and enables the facilemore » measurement of undistorted line shapes and two-dimensional 1H– 17O HETCOR NMR spectra as well as accurate internuclear distance measurements at natural abundance. This was applied for distinguishing hydrogen-bonded and lone 17O sites on the surface of silica gel; the one-dimensional spectrum of which could not be used to extract such detail. As a result, this greatly enhanced sensitivity has enabled, for the first time, the detection of surface hydroxyl sites on mesoporous silica at natural abundance, thereby extending the concept of DNP surface-enhanced NMR spectroscopy to the 17O nuclide.« less

Levothyroxine sodium revisited: A wholistic structural elucidation approach of new impurities via HPLC-HRMS/MS, on-line H/D exchange, NMR spectroscopy and chemical synthesis.

PubMed

Ruggenthaler, M; Grass, J; Schuh, W; Huber, C G; Reischl, R J

2017-02-20

The structural elucidation of unknown pharmaceutical impurities plays an important role in the quality control of newly developed and well-established active pharmaceutical ingredients (APIs). The United States Pharmacopeia (USP) monograph for the API Levothyroxine Sodium, a synthetic thyroid hormone, features two high pressure liquid chromatography (HPLC) methods using UV-VIS absorption detection to determine organic impurities in the drug substance. The impurity profile of the first USP method ("Procedure 1") has already been extensively studied, however for the second method ("Procedure 2"), which exhibits a significantly different impurity profile, no wholistic structural elucidation of impurities has been performed yet. Applying minor modifications to the chromatographic parameters of USP "Procedure 2" and using various comprehensive structural elucidation methods such as high resolution tandem mass spectrometry with on-line hydrogen-deuterium (H/D) exchange or two-dimensional nuclear magnetic resonance spectroscopy (NMR) we gained new insights about the complex impurity profile of the synthetic thyroid hormone. This resulted in the characterization of 24 compounds previously unknown to literature and the introduction of two new classes of Levothyroxine Sodium impurities. Five novel compounds were unambiguously identified via isolation or synthesis of reference substances and subsequent NMR spectroscopic investigation. Additionally, Collision-Induced Dissociation (CID)-type fragmentation of identified major impurities as well as neutral loss fragmentation patterns of many characterized impurities were discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

Emission-line studies of young stars. 4: The optical forbidden lines

NASA Astrophysics Data System (ADS)

Hamann, Fred

1994-08-01

Optical forbidden line strengths and profiles are discussed for a sample of 30 T Tauri stars and 12 Herbig Ae-Be stars. Transitions of (C I), (N II), (O I), (O II), (S II), (Ca II), (Cr II), (Fe II), and (Ni II) are detected. Profile variability occurred in DG Tau and probably other sources. The ensemble profiles can be divided into four generic components that may represent distinct emitting regions; (1) narrow rest-velocity lines, (2) 'low'-velocity lines (peaking at less than or approximately +/- 50 km s-1), (3) 'high'-velocity (usually greater than or approximately +/- 100 km s-1) blueshifted peaks or wings, and (4) high-velocity redshifted peaks. Among T Tauri stars, the rest-velocity lines appear most often in sources with weak and narrow permitted lines, such as the Ca II triplet. The low- and high-velocity blueshifted components usually appear together in sources with strong and broad Ca II triplet lines. If the velocity-shifted lines form in jets, the smallest (full) opening angles required by the profiles are less than or approximately 20 deg for the narrow, blueshifted (Ca II) lines of DG Tau and HL Tau. Other lines in DG Tau are much broader, implying larger opening angles or greater velocity dispersions. The variability in DG Tau also implies significant changes in the collimation or velocity coherence on timescales of a few years. RW Aur and AS 353A have blue- and redshifted line peaks that could form in oppositely directed jets. The strong (S II) lambda 6716 and lambda 6731 lines in RW Aur are exclusively redshifted and require opening angles less than or approximately 60 deg. Measurements of different profiles in the same spectrum show that the physical conditions change with the line-of-sight velocities. The most persistent trends are for more (N II) and (O II) and less (O I) lambda 5577 flux at high velocities. Constraints on the physical conditions are derived by modeling the emission lines via multilevel ions in 'coronal ionization equilibrium

Emission-line studies of young stars. 4: The optical forbidden lines

NASA Technical Reports Server (NTRS)

Hamann, Fred

1994-01-01

Optical forbidden line strengths and profiles are discussed for a sample of 30 T Tauri stars and 12 Herbig Ae-Be stars. Transitions of (C I), (N II), (O I), (O II), (S II), (Ca II), (Cr II), (Fe II), and (Ni II) are detected. Profile variability occurred in DG Tau and probably other sources. The ensemble profiles can be divided into four generic components that may represent distinct emitting regions; (1) narrow rest-velocity lines, (2) 'low'-velocity lines (peaking at less than or approximately +/- 50 km s(exp -1)), (3) 'high'-velocity (usually greater than or approximately +/- 100 km s(exp -1)) blueshifted peaks or wings, and (4) high-velocity redshifted peaks. Among T Tauri stars, the rest-velocity lines appear most often in sources with weak and narrow permitted lines, such as the Ca II triplet. The low- and high-velocity blueshifted components usually appear together in sources with strong and broad Ca II triplet lines. If the velocity-shifted lines form in jets, the smallest (full) opening angles required by the profiles are less than or approximately 20 deg for the narrow, blueshifted (Ca II) lines of DG Tau and HL Tau. Other lines in DG Tau are much broader, implying larger opening angles or greater velocity dispersions. The variability in DG Tau also implies significant changes in the collimation or velocity coherence on timescales of a few years. RW Aur and AS 353A have blue- and redshifted line peaks that could form in oppositely directed jets. The strong (S II) lambda 6716 and lambda 6731 lines in RW Aur are exclusively redshifted and require opening angles less than or approximately 60 deg. Measurements of different profiles in the same spectrum show that the physical conditions change with the line-of-sight velocities. The most persistent trends are for more (N II) and (O II) and less (O I) lambda 5577 flux at high velocities. Constraints on the physical conditions are derived by modeling the emission lines via multilevel ions in 'coronal ionization

Structure of an LiKSO 4 single crystal studied by 7Li and 39K NMR at low temperature

NASA Astrophysics Data System (ADS)

Lim, A. R.; Jeong, S.-Y.

2000-09-01

The 7Li and 39K nuclear magnetic resonances in an LiKSO 4 single crystal grown by the slow evaporation method have been investigated using a Bruker FT nuclear magnetic resonance (NMR) spectrometer. From the experimental data, the quadrapole coupling constant and asymmetry parameter were determined at room temperature and low temperature, respectively. Unlike the case at 300 K, the 7Li NMR line consists of three sets at 180 K, while 39K nucleus exhibits six sets for the rotation around the three crystallographic axes. The three resonance lines of 7Li and 39K at low temperature can be explained by the existence of three kinds of twin domain, rotated with respect to each other by 120° around the c-axis. The three resonance lines are also related to the crystallographic mirror plane. Structure of ferroelastic LiKSO 4 crystals at 180 K can be directly inferred from the domain pattern obtained by 7Li and 39K NMR. The above results show that the equations of the twin boundaries belong to the mm2 F6 mm ferroelastic species. Therefore, the symmetry of phases III and II is given by orthorhombic structure with Cmc2 1 ( mm2) and hexagonal structural with P6 3mc (6 mm), respectively.

Exploiting periodic first-principles calculations in NMR spectroscopy of disordered solids.

PubMed

Ashbrook, Sharon E; Dawson, Daniel M

2013-09-17

Much of the information contained within solid-state nuclear magnetic resonance (NMR) spectra remains unexploited because of the challenges in obtaining high-resolution spectra and the difficulty in assigning those spectra. Recent advances that enable researchers to accurately and efficiently determine NMR parameters in periodic systems have revolutionized the application of density functional theory (DFT) calculations in solid-state NMR spectroscopy. These advances are particularly useful for experimentalists. The use of first-principles calculations aids in both the interpretation and assignment of the complex spectral line shapes observed for solids. Furthermore, calculations provide a method for evaluating potential structural models against experimental data for materials with poorly characterized structures. Determining the structure of well-ordered, periodic crystalline solids can be straightforward using methods that exploit Bragg diffraction. However, the deviations from periodicity, such as compositional, positional, or temporal disorder, often produce the physical properties (such as ferroelectricity or ionic conductivity) that may be of commercial interest. With its sensitivity to the atomic-scale environment, NMR provides a potentially useful tool for studying disordered materials, and the combination of experiment with first-principles calculations offers a particularly attractive approach. In this Account, we discuss some of the issues associated with the practical implementation of first-principles calculations of NMR parameters in solids. We then use two key examples to illustrate the structural insights that researchers can obtain when applying such calculations to disordered inorganic materials. First, we describe an investigation of cation disorder in Y2Ti(2-x)Sn(x)O7 pyrochlore ceramics using (89)Y and (119)Sn NMR. Researchers have proposed that these materials could serve as host phases for the encapsulation of lanthanide- and actinide

Fourier Analysis and Structure Determination. Part II: Pulse NMR and NMR Imaging.

ERIC Educational Resources Information Center

Chesick, John P.

1989-01-01

Uses simple pulse NMR experiments to discuss Fourier transforms. Studies the generation of spin echoes used in the imaging procedure. Shows that pulse NMR experiments give signals that are additions of sinusoids of differing amplitudes, frequencies, and phases. (MVL)

Nuclear magnetic moment of {sup 69}As from on-line {beta}-NMR on oriented nuclei

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

Golovko, V.V.; Kraev, I.S.; Phalet, T.

2005-12-15

A precise value for the magnetic moment of the {sup 69}As 5/2{sup -} ground state has been obtained from nuclear magnetic resonance on oriented nuclei (NMR/ON) using the NICOLE {sup 3}He-{sup 4}He dilution refrigerator setup at ISOLDE/CERN. The NMR/ON signal was observed by monitoring the anisotropy of the {sup 69}As {beta} particles. The center frequency {nu}[B{sub ext}=0.0994(10)T]=169.98(9) MHz corresponds to {mu}[{sup 69}As]=+1.6229(16){mu}{sub N}. This result differs considerably from the {pi}f{sub 5/2} single-particle value obtained with g factors for a free proton but is in reasonable agreement with the value obtained with effective g factors and with values from a coremore » polarization calculation and from calculations in the framework of the interacting boson-fermion model. Assuming a single exponential spin-lattice relaxation behavior a relaxation time T{sub 1}{sup '}=10(25) s was observed for {sup 69}AsFe{sub -bar} at a temperature of about 20 mK in a magnetic field B=0.1 T.« less

Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

2015-10-01

Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110-120 kHz), 1H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong 1H-1H homonuclear dipolar couplings and narrow 1H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) 1H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about 1H-1H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic-level structural and dynamical information for

Femtosecond Laser in situ Keratomileusis Flap Creation in Narrow Palpebral Fissure Eyes without Suction.

PubMed

Chang, John S M; Law, Antony K P; Ng, Jack C M; Cheng, May S Y

2017-01-01

To evaluate a surgical technique used in eyes with narrow palpebral fissure undergoing femtosecond laser flap creation without suction during laser in situ keratomileusis (LASIK). All data of 2 patient groups were collected through chart review. Group 1 consisted of 6 eyes with narrow palpebral fissure in which the suction ring was manually fixated and femtosecond laser was applied accordingly. Thirty comparison cases were randomly drawn from among eyes that underwent a standard LASIK procedure matched for age and preoperative refraction (group 2). Only 1 eye of each patient was selected to compare the refractive and visual outcomes between groups. In all group 1 eyes, the flaps were created successfully with manual fixation of the suction ring without suction. No eyes lost 2 or more lines of vision. No significant difference was found in the safety and refractive outcomes between groups. Manual fixation of the suction ring in eyes with narrow palpebral fissure without suction was feasible for flap creation during LASIK.

Narrow band gap amorphous silicon semiconductors

DOEpatents

Madan, A.; Mahan, A.H.

1985-01-10

Disclosed is a narrow band gap amorphous silicon semiconductor comprising an alloy of amorphous silicon and a band gap narrowing element selected from the group consisting of Sn, Ge, and Pb, with an electron donor dopant selected from the group consisting of P, As, Sb, Bi and N. The process for producing the narrow band gap amorphous silicon semiconductor comprises the steps of forming an alloy comprising amorphous silicon and at least one of the aforesaid band gap narrowing elements in amount sufficient to narrow the band gap of the silicon semiconductor alloy below that of amorphous silicon, and also utilizing sufficient amounts of the aforesaid electron donor dopant to maintain the amorphous silicon alloy as an n-type semiconductor.

Fatty acyl chain order in lecithin model membranes determined from proton magnetic resonance.

PubMed

Bloom, M; Burnell, E E; MacKay, A L; Nichol, C P; Valic, M I; Weeks, G

1978-12-26

Proton magnetic resonance (1H NMR) has been used to compare the local orientational order of acyl chains in phospholipid bilayers of multilamellar and small sonicated vesicular membranes of dipalmitoyllecithin (DPL) at 50 degrees C and egg yolk lecithin (EYL) at 31 degrees C. The orientational order of the multilamellar systems was characterized using deuterium magnetic resonance order parameters and 1H NMR second moments. 1H NMR line shapes in the vesicle samples were calculated using vesicle size distributions, determined directly using electron microscopy, and a theory of motional narrowing, which takes into account the symmetry properties of the bilayer systems. The predicted non-Lorentzian line shapes and widths were found to be in good agreement with experimental results, indicating that the local orientational order (called "packing" by many workers) in the bilayers of small vesicles and in multilamellar membranes is substantially the same. This results was found to be true not only for the largest 1H NMR line associated with the nonterminal methylene protons but also for the resolved 1H NMR lines due to the alpha-CH2 and the terminal CH3 positions on the acyl chain. Analysis of the vesicle 1H NMR spectra of EYL taken with different medium viscosities yielded a value of approximately 4 X 10(-8) cm2 s-1 for the lateral diffusion constant of the phospholipid molecules at 31 degrees C.

Narrow-band microwave radiation from a biased single-Cooper-pair transistor.

PubMed

Naaman, O; Aumentado, J

2007-06-01

We show that a single-Cooper-pair transistor (SCPT) electrometer emits narrow-band microwave radiation when biased in its subgap region. Photoexcitation of quasiparticle tunneling in a nearby SCPT is used to spectroscopically detect this radiation in a configuration that closely mimics a qubit-electrometer integrated circuit. We identify emission lines due to Josephson radiation and radiative transport processes in the electrometer and argue that a dissipative superconducting electrometer can severely disrupt the system it attempts to measure.

Access to NMR Spectroscopy for Two-Year College Students: The NMR Site at Trinity University

ERIC Educational Resources Information Center

Mills, Nancy S.; Shanklin, Michael

2011-01-01

Students at two-year colleges and small four-year colleges have often obtained their exposure to NMR spectroscopy through "canned" spectra because the cost of an NMR spectrometer, particularly a high-field spectrometer, is prohibitive in these environments. This article describes the design of a NMR site at Trinity University in which…

Self-injection-locking linewidth narrowing in a semiconductor laser coupled to an external fiber-optic ring resonator

NASA Astrophysics Data System (ADS)

Korobko, Dmitry A.; Zolotovskii, Igor O.; Panajotov, Krassimir; Spirin, Vasily V.; Fotiadi, Andrei A.

2017-12-01

We develop a theoretical framework for modeling of semiconductor laser coupled to an external fiber-optic ring resonator. The developed approach has shown good qualitative agreement between theoretical predictions and experimental results for particular configuration of a self-injection locked DFB laser delivering narrow-band radiation. The model is capable of describing the main features of the experimentally measured laser outputs such as laser line narrowing, spectral shape of generated radiation, mode-hoping instabilities and makes possible exploring the key physical mechanisms responsible for the laser operation stability.

Long term X-ray variability characteristics of the narrow-line Seyfert 1 galaxy RE J1034+396

NASA Astrophysics Data System (ADS)

Chaudhury, K.; Chitnis, V. R.; Rao, A. R.; Singh, K. P.; Bhattacharyya, Sudip; Dewangan, G. C.; Chakraborty, S.; Chandra, S.; Stewart, G. C.; Mukerjee, K.; Dey, R. K.

2018-05-01

We present the results of our study of the long term X-ray variability characteristics of the Narrow Line Seyfert 1 galaxy RE J1034+396. We use data obtained from the AstroSat satellite along with the light curves obtained from XMM-Newton and Swift-XRT. We use the 0.3 - 7.0 keV and 3 - 20 keV data, respectively, from the SXT and the LAXPC of AstroSat. The X-ray spectra in the 0.3 - 20 keV region are well fit with a model consisting of a power-law and a soft excess described by a thermal-Compton emission with a large optical depth, consistent with the earlier reported results. We have examined the X-ray light curves in the soft and hard X-ray bands of SXT and LAXPC, respectively, and find that the variability is slightly larger in the hard band. To investigate the variability characteristics of this source at different time scales, we have used X-ray light curves obtained from XMM-Newton data (200 s to 100 ks range) and Swift-XRT data (1 day to 100 day range) and find that there are evidences to suggest that the variability sharply increases at longer time scales. We argue that the mass of the black hole in RE J1034+396 is likely to be ˜3 × 106 M⊙, based on the similarity of the observed QPO to the high frequency QPO seen in the Galactic black hole binary, GRS 1915+105.

129Xe on Ir(111): NMR study of xenon on a metal single crystal surface

PubMed Central

Jänsch, H. J.; Gerhard, P.; Koch, M.

2004-01-01

NMR experiments of 129Xe adsorbed on an iridium single crystal surface are reported. Very high nuclear polarization (Pz ≈ 0.7) makes the experiment possible. A coverage of less then one monolayer is investigated on the Ir(111) surface with an area of 0.8 cm2. The observed resonance line shifts are very large and highly anisotropic. We find σiso = 1,032 ± 11 ppm and σan = 291 ± 33 ppm, which are far above the typical range of physisorption. The highly ordered substrate leads to homogeneous conditions for the xenon atoms, as seen in the narrow linewidth of 20 ppm. Chemical shifts under physisorption conditions are not large enough to totally explain the results. Knight shift can clearly be identified as the cause of the findings. This shift shows the presence of conduction electrons of the metallic substrate at the xenon nucleus and thus the mixing of metallic and atomic states at the Fermi level. Such mixing is in accordance with recent Hartree–Fock and density functional calculations of similar van der Waals adsorption systems. Quantitative comparisons, however, fail completely. The size and ratio of σan and σiso are pure ground-state properties in a structurally simple system. They are accessible to theory and provide detailed local information that can serve as a benchmark for theory. PMID:15361579

Magic Angle Spinning NMR Metabolomics

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

Zhi Hu, Jian

Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

Protein folding by NMR.

PubMed

Zhuravleva, Anastasia; Korzhnev, Dmitry M

2017-05-01

Protein folding is a highly complex process proceeding through a number of disordered and partially folded nonnative states with various degrees of structural organization. These transiently and sparsely populated species on the protein folding energy landscape play crucial roles in driving folding toward the native conformation, yet some of these nonnative states may also serve as precursors for protein misfolding and aggregation associated with a range of devastating diseases, including neuro-degeneration, diabetes and cancer. Therefore, in vivo protein folding is often reshaped co- and post-translationally through interactions with the ribosome, molecular chaperones and/or other cellular components. Owing to developments in instrumentation and methodology, solution NMR spectroscopy has emerged as the central experimental approach for the detailed characterization of the complex protein folding processes in vitro and in vivo. NMR relaxation dispersion and saturation transfer methods provide the means for a detailed characterization of protein folding kinetics and thermodynamics under native-like conditions, as well as modeling high-resolution structures of weakly populated short-lived conformational states on the protein folding energy landscape. Continuing development of isotope labeling strategies and NMR methods to probe high molecular weight protein assemblies, along with advances of in-cell NMR, have recently allowed protein folding to be studied in the context of ribosome-nascent chain complexes and molecular chaperones, and even inside living cells. Here we review solution NMR approaches to investigate the protein folding energy landscape, and discuss selected applications of NMR methodology to studying protein folding in vitro and in vivo. Together, these examples highlight a vast potential of solution NMR in providing atomistic insights into molecular mechanisms of protein folding and homeostasis in health and disease. Copyright © 2016 Elsevier B.V. All

Kinematical line broadening and spatially resolved line profiles from AGN.

NASA Astrophysics Data System (ADS)

Schulz, H.; Muecke, A.; Boer, B.; Dresen, M.; Schmidt-Kaler, T.

1995-03-01

We study geometrical effects for emission-line broadening in the optically thin limit by integrating the projected line emissivity along prespecified lines of sight that intersect rotating or expanding disks or cone-like configurations. Analytical expressions are given for the case that emissivity and velocity follow power laws of the radial distance. The results help to interpret spatially resolved spectra and to check the reliability of numerical computations. In the second part we describe a numerical code applicable to any geometrical configuration. Turbulent motions, atmospheric seeing and effects induced by the size of the observing aperture are simulated with appropriate convolution procedures. An application to narrow-line Hα profiles from the central region of the Seyfert galaxy NGC 7469 is presented. The shapes and asymmetries as well as the relative strengths of the Hα lines from different spatial positions can be explained by emission from a nuclear rotating disk of ionized gas, for which the distribution of Hα line emissivity and the rotation curve are derived. Appreciable turbulent line broadening with a Gaussian σ of ~40% of the rotational velocity has to be included to obtain a satisfactory fit.

On the Tuning of High-Resolution NMR Probes

PubMed Central

Pöschko, Maria Theresia; Schlagnitweit, Judith; Huber, Gaspard; Nausner, Martin; Horničáková, Michaela; Desvaux, Hervé; Müller, Norbert

2014-01-01

Three optimum conditions for the tuning of NMR probes are compared: the conventional tuning optimum, which is based on radio-frequency pulse efficiency, the spin noise tuning optimum based on the line shape of the spin noise signal, and the newly introduced frequency shift tuning optimum, which minimizes the frequency pushing effect on strong signals. The latter results if the radiation damping feedback field is not in perfect quadrature to the precessing magnetization. According to the conventional RLC (resistor–inductor–capacitor) resonant circuit model, the optima should be identical, but significant deviations are found experimentally at low temperatures, in particular on cryogenically cooled probes. The existence of different optima with respect to frequency pushing and spin noise line shape has important consequences on the nonlinearity of spin dynamics at high polarization levels and the implementation of experiments on cold probes. PMID:25210000

VizieR Online Data Catalog: QSOs narrow absorption line variability (Hacker+, 2013)

NASA Astrophysics Data System (ADS)

Hacker, T. L.; Brunner, R. J.; Lundgren, B. F.; York, D. G.

2013-06-01

Catalogues of 2,522 QAL systems and 33 variable NAL systems detected in SDSS DR7 quasars with repeat observations. The object identifiers, position coordinates, and plate-MJD-fibre designations are taken from the SpecObjAll table in the SDSS Catalogue Archive Server (CAS) while the quasar redshifts (zqso) are from Hewett & Wild (2010, Cat. J/MNRAS/405/2302). The absorption system redshift (zabs), system grade, and detected lines are outputs of the York et al. (2013, in. prep.) QAL detection pipeline. Some absorption lines are flagged based on alternate identifications (a), proximity of masked pixels (b), or questionable continuum fits (c). (3 data files).

In vivo two-dimensional NMR correlation spectroscopy

NASA Astrophysics Data System (ADS)

Kraft, Robert A.

1999-10-01

The poor resolution of in-vivo one- dimensional nuclear magnetic resonance spectroscopy (NMR) has limited its clinical potential. Currently, only the large singlet methyl resonances arising from N-acetyl aspartate (NAA), choline, and creatine are quantitated in a clinical setting. Other metabolites such as myo- inositol, glutamine, glutamate, lactate, and γ- amino butyric acid (GABA) are of clinical interest but quantitation is difficult due to the overlapping resonances and limited spectral resolution. To improve the spectral resolution and distinguish between overlapping resonances, a series of two- dimensional chemical shift correlation spectroscopy experiments were developed for a 1.5 Tesla clinical imaging magnet. Two-dimensional methods are attractive for in vivo spectroscopy due to their ability to unravel overlapping resonances with the second dimension, simplifying the interpretation and quantitation of low field NMR spectra. Two-dimensional experiments acquired with mix-mode line shape negate the advantages of the second dimension. For this reason, a new experiment, REVOLT, was developed to achieve absorptive mode line shape in both dimensions. Absorptive mode experiments were compared to mixed mode experiments with respect to sensitivity, resolution, and water suppression. Detailed theoretical and experimental calculations of the optimum spin lock and radio frequency power deposition were performed. Two-dimensional spectra were acquired from human bone marrow and human brain tissue. The human brain tissue spectra clearly reveal correlations among the coupled spins of NAA, glutamine, glutamate, lactate, GABA, aspartate and myo-inositol obtained from a single experiment of 23 minutes from a volume of 59 mL. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.)

Half-State Readout In Vertical-Bloch-Line Memory

NASA Technical Reports Server (NTRS)

Katti, Romney R.; Wu, Jiin-Chuan; Stadler, Henry L.

1994-01-01

Potentially narrow margins of chirality-based chopping of magnetic stripes avoided. Half-state readout is experimental method of readout in Vertical-Bloch-Line (VBL) memory. Based on differential deflections of magnetic stripe domains in which data bits stored. To give meaning to explanation of half-state readout, see "Vertical-Bloch-Line Memory" (NPO-18467).

The first gamma-ray outburst of a narrow-line Seyfert 1 galaxy: The case of PMN J0948+0022 in 2010 July

DOE PAGES

Foschini, Luigi; Ghisellini, G.; Kovalev, Y. Y.; ...

2011-05-11

We report on a multiwavelength campaign for the radio-loud narrow-line Seyfert 1 (NLS1) galaxy PMN J0948+0022 (z= 0.5846) performed in 2010 July–September and triggered by a high-energy γ-ray outburst observed by the Large Area Telescope onboard the Fermi Gamma-ray Space Telescope. The peak flux in the 0.1–100 GeV energy band exceeded, for the first time in this type of source, the value of ~10–6 photon cm–2 s–1, corresponding to an observed luminosity of ~1048 erg s–1. Although the source was too close to the Sun position to organize a densely sampled follow-up, it was possible to gather some multiwavelength datamore » that confirmed the state of high activity across the sampled electromagnetic spectrum. Furthermore, the comparison of the spectral energy distribution of the NLS1 PMN J0948+0022 with that of a typical blazar – such as 3C 273 – shows that the power emitted at γ-rays is extreme.« less

The interstellar D1 line at high resolution

NASA Technical Reports Server (NTRS)

Hobbs, L. M.; Welty, D. E.

1990-01-01

Observations at a resolving power or a velocity resolution are reported of the interstellar D(sub 1) line of Na I in the spectra of gamma Cas, delta Ori, epsilon Ori, pi Sco, delta Cyg, and alpha Cyg. An echelle grating was used in a double-pass configuration with a CCD detector in the coude spectrograph of the 2.7 m reflector at McDonald Observatory. At least 42 kinematically distinct clouds are detected along the light paths to the five more distant stars, in addition to a single cloud seen toward delta Cyg. The absorption lines arising in 13 of the clouds are sufficiently narrow and unblended to reveal clearly resolved hyperfine structure components split by 1.05 km/s. An additional 13 clouds apparently show comparably narrow, but more strongly blended, lines. For each individual cloud, upper limits T(sub max) and (v sub t)(sub max) on the temperature and the turbulent velocity, respectively, are derived by fitting the observed lines with theoretical absorption profiles.

Defining genetic and chemical diversity in wheat grain by 1H‐NMR spectroscopy of polar metabolites

PubMed Central

Corol, Delia I.; Jones, Huw D.; Beale, Michael H.; Ward, Jane L.

2017-01-01

Scope The application of high‐throughput 1H nuclear magnetic resonance (1H‐NMR) of unpurified extracts to determine genetic diversity and the contents of polar components in grain of wheat. Methods and results Milled whole wheat grain was extracted with 80:20 D2O:CD3OD containing 0.05% d4–trimethylsilylpropionate. 1H‐NMR spectra were acquired under automation at 300°K using an Avance Spectrometer operating at 600.0528 MHz. Regions for individual metabolites were identified by comparison to a library of known standards run under identical conditions. The individual 1H‐NMR peaks or levels of known metabolites were then compared by Principal Component Analysis using SIMCA‐P software. Conclusions High‐throughput 1H‐NMR is an excellent tool to compare the extent of genetic diversity within and between wheat species, and to quantify specific components (including glycine betaine, choline, and asparagine) in individual genotypes. It can also be used to monitor changes in composition related to environmental factors and to support comparisons of the substantial equivalence of transgenic lines. PMID:28087883

An Introduction to Biological NMR Spectroscopy*

PubMed Central

Marion, Dominique

2013-01-01

NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP). PMID:23831612

NMR-Spectroscopy for Nontargeted Screening and Simultaneous Quantification of Health-Relevant Compounds in Foods: The Example of Melamine

PubMed Central

2009-01-01

The recent melamine crisis in China has pointed out a serious deficiency in current food control systems, namely, they specifically focus on selected known compounds. This targeted approach allowed the presence of melamine in milk products to be overlooked for a considerable time. To avoid such crises in the future, we propose that nontargeted screening methods need to be developed and applied. To this end, NMR has an extraordinary potential that just started to be recognized and exploited. Our research shows that, from the very same set of spectra, 1H NMR at 400 MHz can distinguish between melamine-contaminated and melamine-free infant formulas and can provide quantitative information by integration of individual lines after identification. For contaminated Chinese infant formulas or candy, identical results were obtained when comparing NMR with SPE-LC/MS/MS. NMR was found to be suitable for routine nontargeted and targeted analyses of foods, and its use will significantly increase food safety. PMID:20349917

Critical behaviour in DOPC/DPPC/cholesterol mixtures: static (2)H NMR line shapes near the critical point.

PubMed

Davis, James H; Schmidt, Miranda L

2014-05-06

Static (2)H NMR spectroscopy is used to study the critical behavior of mixtures of 1,2-dioleoyl-phosphatidylcholine/1,2-dipalmitoyl-phosphatidylcholine (DPPC)/cholesterol in molar proportion 37.5:37.5:25 using either chain perdeuterated DPPC-d62 or chain methyl deuterated DPPC-d6. The temperature dependence of the first moment of the (2)H spectrum of the sample made with DPPC-d62 and of the quadrupolar splittings of the chain-methyl-labeled DPPC-d6 sample are directly related to the temperature dependence of the critical order parameter η, which scales as [Formula: see text] near the critical temperature. Analysis of the data reveals that for the chain perdeuterated sample, the value of Tc is 301.51 ± 0.1 K, and that of the critical exponent, βc = 0.391 ± 0.02. The line shape analysis of the methyl labeled (d6) sample gives Tc = 303.74 ± 0.07 K and βc = 0.338 ± 0.009. These values obtained for βc are in good agreement with the predictions of a three-dimensional Ising model. The difference in critical temperature between the two samples having nominally the same molar composition arises because of the lowering of the phase transition temperature that occurs due to the perdeuteration of the DPPC. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

1H NMR spectra dataset and solid-state NMR data of cowpea (Vigna unguiculata).

PubMed

Alves Filho, Elenilson G; Silva, Lorena M A; Teofilo, Elizita M; Larsen, Flemming H; de Brito, Edy S

2017-04-01

In this article the NMR data from chemical shifts, coupling constants, and structures of all the characterized compounds were provided, beyond a complementary PCA evaluation for the corresponding manuscript (E.G. Alves Filho, L.M.A. Silva, E.M. Teofilo, F.H. Larsen, E.S. de Brito, 2017) [3]. In addition, a complementary assessment from solid-state NMR data was provided. For further chemometric analysis, numerical matrices from the raw 1 H NMR data were made available in Microsoft Excel workbook format (.xls).

New generation NMR bioreactor coupled with high-resolution NMR spectroscopy leads to novel discoveries in Moorella thermoaceticum metabolic profiles

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

Xue, Junfeng; Isern, Nancy G.; Ewing, R James

An in-situ nuclear magnetic resonance (NMR) bioreactor was developed and employed to monitor microbial metabolism under batch-growth conditions in real time. We selected Moorella thermoacetica ATCC 49707 as a test case. M. thermoacetica (formerly Clostridium thermoaceticum) is a strictly anaerobic, thermophilic, acetogenic, gram-positive bacterium with potential for industrial production of chemicals. The metabolic profiles of M. thermoacetica were characterized during growth in batch mode on xylose (a component of lignocellulosic biomass) using the new generation NMR bioreactor in combination with high-resolution, high sensitivity NMR (HR-NMR) spectroscopy. In-situ NMR measurements were performed using water-suppressed H-1 NMR spectroscopy at an NMR frequencymore » of 500 MHz, and aliquots of the bioreactor contents were taken for 600 MHz HR-NMR spectroscopy at specific intervals to confirm metabolite identifications and expand metabolite coverage. M. thermoacetica demonstrated the metabolic potential to produce formate, ethanol and methanol from xylose, in addition to its known capability of producing acetic acid. Real-time monitoring of bioreactor conditions showed a temporary pH decrease, with a concomitant increase in formic acid during exponential growth. Fermentation experiments performed outside of the magnet showed that the strong magnetic field employed for NMR detection did not significantly affect cell metabolism. Use of the in-situ NMR bioreactor facilitated monitoring of the fermentation process in real time, enabling identification of intermediate and end-point metabolites and their correlation with pH and biomass produced during culture growth. Real-time monitoring of culture metabolism using the NMR bioreactor in combination with the HR-NMR spectroscopy will allow optimization of the metabolism of microorganisms producing valuable bioproducts.« less

Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

DOE PAGES

Mason, Harris E.; Smith, Megan M.; Hao, Yue; ...

2014-12-31

The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectlymore » predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.« less

Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

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

Mason, Harris E.; Smith, Megan M.; Hao, Yue

The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectlymore » predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.« less

Femtosecond Laser in situ Keratomileusis Flap Creation in Narrow Palpebral Fissure Eyes without Suction

PubMed Central

Chang, John S.M.; Law, Antony K.P.; Ng, Jack C.M.; Cheng, May S.Y.

2017-01-01

Purpose To evaluate a surgical technique used in eyes with narrow palpebral fissure undergoing femtosecond laser flap creation without suction during laser in situ keratomileusis (LASIK). Methods All data of 2 patient groups were collected through chart review. Group 1 consisted of 6 eyes with narrow palpebral fissure in which the suction ring was manually fixated and femtosecond laser was applied accordingly. Thirty comparison cases were randomly drawn from among eyes that underwent a standard LASIK procedure matched for age and preoperative refraction (group 2). Only 1 eye of each patient was selected to compare the refractive and visual outcomes between groups. Results In all group 1 eyes, the flaps were created successfully with manual fixation of the suction ring without suction. No eyes lost 2 or more lines of vision. No significant difference was found in the safety and refractive outcomes between groups. Conclusion Manual fixation of the suction ring in eyes with narrow palpebral fissure without suction was feasible for flap creation during LASIK. PMID:28690535

Interaction of lafutidine in binding to human serum albumin in gastric ulcer therapy: STD-NMR, WaterLOGSY-NMR, NMR relaxation times, Tr-NOESY, molecule docking, and spectroscopic studies.

PubMed

Yang, Hongqin; Huang, Yanmei; He, Jiawei; Li, Shanshan; Tang, Bin; Li, Hui

2016-09-15

In this study, lafutidine (LAF) was used as a model compound to investigate the binding mechanism between antiulcer drugs and human serum albumin (HSA) through various techniques, including STD-NMR, WaterLOGSY-NMR, (1)H NMR relaxation times, tr-NOESY, molecule docking calculation, FT-IR spectroscopy, and CD spectroscopy. The analyses of STD-NMR, which derived relative STD (%) intensities, and WaterLOGSY-NMR, determined that LAF bound to HSA. In particular, the pyridyl group of LAF was in close contact with HSA binding pocket, whereas furyl group had a secondary binding. Competitive STD-NMR and WaterLOGSY-NMR experiments, with warifarin and ibuprofen as site-selective probes, indicated that LAF preferentially bound to site II in the hydrophobic subdomains IIIA of HSA. The bound conformation of LAF at the HSA binding site was further elucidated by transferred NOE effect (tr-NOESY) experiment. Relaxation experiments provided quantitative information about the relationship between the affinity and structure of LAF. The molecule docking simulations conducted with AutoDock and the restraints derived from STD results led to three-dimensional models that were consistent with the NMR spectroscopic data. The presence of hydrophobic forces and hydrogen interactions was also determined. Additionally, FT-IR and CD spectroscopies showed that LAF induced secondary structure changes of HSA. Copyright © 2016 Elsevier Inc. All rights reserved.

The Structure of A Pacific Narrow Cold Frontal Rainband

NASA Technical Reports Server (NTRS)

Jorgensen, David P.; Pu, Zhaoxia; Persson, Ola; Tao, Wei-Kuo; Starr, David OC. (Technical Monitor)

2002-01-01

A NOAA P-3 instrumented aircraft observed an intense, fast-moving narrow cold frontal Farmhand as it approached the Pacific Northwest coast on 19 February 2001 during the Pacific Coastal Jets Experiment. Pseudo-dual-Doppler analyses performed on the airborne Doppler radar data while the frontal system was well offshore indicated that a narrow ribbon of very high radar reflectively convective cores characterized the Farmhand at low levels with echo tops to approximately 4-5 km. The NCFR exhibited gaps in its narrow ribbon of high reflectively, probably as a result of hydrodynamic instability all no its advancing cold pool leading edge. In contrast to some earlier studies of cold frontal rainbands, density current theory described well the motion of the overall front. The character of the updraft structure associated with the heavy rainfall at its leading edge varied across the gap region. The vertical shear of the cross-frontal low-level ambient flow exerted a strong influence on the updraft character, consistent with theoretical arguments developed for squall lines describing the balance of vorticity at the leading edge. In short regions south of the gaps the vertical wind shear was strongest with the updrafts and rain shafts more intense, narrower, and more erect or even downshear tilted. North of the gaps the wind shear weakened with less intense Dihedrals which tilted upshear with a broader band of rainfall. Simulations using a nonhydrostatic mesoscale nested grid model are used to investigate the gap regions, particularly the balance of cold pool induced to pre-frontal ambient shears at the leading edge. Observations confirm the model results that the updraft character depends on the balance of vorticity at the leading edge. Downshear-tilted updrafts imply that convection south of the gap regions would weaken with time relative to the frontal segments north of the gaps since inflow air would be affected by passage through the heavy rain region before ascent

NMR detects molecular interactions of graphene with aromatic and aliphatic hydrocarbons in water

NASA Astrophysics Data System (ADS)

Bichenkova, Elena V.; Raju, Arun P. A.; Burusco, Kepa K.; Kinloch, Ian A.; Novoselov, Kostya S.; Clarke, David J.

2018-03-01

Polyaromatic carbon is widely held to be strongly diamagnetic and hydrophobic, with textbook van der Waals and ‘π-stacked’ binding of hydrocarbons, which disrupt their self-assembled supramolecular structures. The NMR of organic molecules sequestered by polyaromatic carbon is expected to be dominated by shielding from the orbital diamagnetism of π electrons. We report the first evidence of very different polar and magnetic behavior in water, wherein graphene remained well-dispersed after extensive dialysis and behaved as a 1H-NMR-silent ghost. Magnetic effects dominated the NMR of organic structures which interacted with graphene, with changes in spin-spin coupling, vast increase in relaxation, line broadening and decrease in NMR peak heights when bound to graphene. However, the interactions were weak, reversible and did not disrupt organic self-assemblies reliant on hydrophobic ‘π-stacking’, even when substantially sequestered on the surface of graphene by the high surface area available. Interacting assemblies of aromatic molecules retained their strongly-shielded NMR signals and remained within self-assembled structures, with slower rates of diffusion from association with graphene, but with no further shielding from graphene. Binding to graphene was selective for positively-charged organic assemblies, weaker for non-aromatic and negligible for strongly-negatively-charged molecules, presumably repelled by a negative zeta potential of graphene in water. Stronger binders, or considerable excess of weaker binders readily reversed physisorption, with no evidence of structural changes from chemisorption. The fundamental nature of these different electronic interactions between organic and polyaromatic carbon is considered with relevance to electronics, charge storage, sensor, medical, pharmaceutical and environmental research.

Compact orthogonal NMR field sensor

DOEpatents

Gerald, II, Rex E.; Rathke, Jerome W [Homer Glen, IL

2009-02-03

A Compact Orthogonal Field Sensor for emitting two orthogonal electro-magnetic fields in a common space. More particularly, a replacement inductor for existing NMR (Nuclear Magnetic Resonance) sensors to allow for NMR imaging. The Compact Orthogonal Field Sensor has a conductive coil and a central conductor electrically connected in series. The central conductor is at least partially surrounded by the coil. The coil and central conductor are electrically or electro-magnetically connected to a device having a means for producing or inducing a current through the coil and central conductor. The Compact Orthogonal Field Sensor can be used in NMR imaging applications to determine the position and the associated NMR spectrum of a sample within the electro-magnetic field of the central conductor.

Investigating the Dissolution Performance of Amorphous Solid Dispersions Using Magnetic Resonance Imaging and Proton NMR.

PubMed

Tres, Francesco; Coombes, Steven R; Phillips, Andrew R; Hughes, Leslie P; Wren, Stephen A C; Aylott, Jonathan W; Burley, Jonathan C

2015-09-10

We have investigated the dissolution performance of amorphous solid dispersions of poorly water-soluble bicalutamide in a Kollidon VA64 polymeric matrix as a function of the drug loading (5% vs. 30% bicalutamide). A combined suite of state-of-the-art analytical techniques were employed to obtain a clear picture of the drug release, including an integrated magnetic resonance imaging UV-Vis flow cell system and 1H-NMR. Off-line 1H-NMR was used for the first time to simultaneously measure the dissolution profiles and rates of both the drug and the polymer from a solid dispersion. MRI and 1H-NMR data showed that the 5% drug loading compact erodes linearly, and that bicalutamide and Kollidon VA64 are released at approximately the same rate from the molecular dispersion. For the 30% extrudate, data indicated a slower water ingress into the compact which corresponds to a slower dissolution rate of both bicalutamide and Kollidon VA64.

1H-NMR, 1H-NMR T2-edited, and 2D-NMR in bipolar disorder metabolic profiling.

PubMed

Sethi, Sumit; Pedrini, Mariana; Rizzo, Lucas B; Zeni-Graiff, Maiara; Mas, Caroline Dal; Cassinelli, Ana Cláudia; Noto, Mariane N; Asevedo, Elson; Cordeiro, Quirino; Pontes, João G M; Brasil, Antonio J M; Lacerda, Acioly; Hayashi, Mirian A F; Poppi, Ronei; Tasic, Ljubica; Brietzke, Elisa

2017-12-01

The objective of this study was to identify molecular alterations in the human blood serum related to bipolar disorder, using nuclear magnetic resonance (NMR) spectroscopy and chemometrics. Metabolomic profiling, employing 1 H-NMR, 1 H-NMR T 2 -edited, and 2D-NMR spectroscopy and chemometrics of human blood serum samples from patients with bipolar disorder (n = 26) compared with healthy volunteers (n = 50) was performed. The investigated groups presented distinct metabolic profiles, in which the main differential metabolites found in the serum sample of bipolar disorder patients compared with those from controls were lipids, lipid metabolism-related molecules (choline, myo-inositol), and some amino acids (N-acetyl-L-phenyl alanine, N-acetyl-L-aspartyl-L-glutamic acid, L-glutamine). In addition, amygdalin, α-ketoglutaric acid, and lipoamide, among other compounds, were also present or were significantly altered in the serum of bipolar disorder patients. The data presented herein suggest that some of these metabolites differentially distributed between the groups studied may be directly related to the bipolar disorder pathophysiology. The strategy employed here showed significant potential for exploring pathophysiological features and molecular pathways involved in bipolar disorder. Thus, our findings may contribute to pave the way for future studies aiming at identifying important potential biomarkers for bipolar disorder diagnosis or progression follow-up.

Resistively detected NMR line shapes in a quasi-one-dimensional electron system

NASA Astrophysics Data System (ADS)

Fauzi, M. H.; Singha, A.; Sahdan, M. F.; Takahashi, M.; Sato, K.; Nagase, K.; Muralidharan, B.; Hirayama, Y.

2017-06-01

We observe variation in the resistively detected nuclear magnetic resonance (RDNMR) line shapes in quantum Hall breakdown. The breakdown occurs locally in a gate-defined quantum point contact (QPC) region. Of particular interest is the observation of a dispersive line shape occurring when the bulk two-dimensional electron gas (2DEG) set to νb=2 and the QPC filling factor to the vicinity of νQPC=1 , strikingly resemble the dispersive line shape observed on a 2D quantum Hall state. This previously unobserved line shape in a QPC points to a simultaneous occurrence of two hyperfine-mediated spin flip-flop processes within the QPC. Those events give rise to two different sets of nuclei polarized in the opposite direction and positioned at a separate region with different degrees of electronic spin polarization.

Constraints on the outer radius of the broad emission line region of active galactic nuclei

NASA Astrophysics Data System (ADS)

Landt, Hermine; Ward, Martin J.; Elvis, Martin; Karovska, Margarita

2014-03-01

Here we present observational evidence that the broad emission line region (BELR) of active galactic nuclei (AGN) generally has an outer boundary. This was already clear for sources with an obvious transition between the broad and narrow components of their emission lines. We show that the narrow component of the higher-order Paschen lines is absent in all sources, revealing a broad emission line profile with a broad, flat top. This indicates that the BELR is kinematically separate from the narrow emission line region. We use the virial theorem to estimate the BELR outer radius from the flat top width of the unblended profiles of the strongest Paschen lines, Paα and Paβ, and find that it scales with the ionizing continuum luminosity roughly as expected from photoionization theory. The value of the incident continuum photon flux resulting from this relationship corresponds to that required for dust sublimation. A flat-topped broad emission line profile is produced by both a spherical gas distribution in orbital motion and an accretion disc wind if the ratio between the BELR outer and inner radius is assumed to be less than ˜100-200. On the other hand, a pure Keplerian disc can be largely excluded, since for most orientations and radial extents of the disc the emission line profile is double-horned.

Nuclear magnetic resonance apparatus having semitoroidal rf coil for use in topical NMR and NMR imaging

DOEpatents

Fukushima, Eiichi; Roeder, Stephen B. W.; Assink, Roger A.; Gibson, Atholl A. V.

1986-01-01

An improved nuclear magnetic resonance (NMR) apparatus for use in topical magnetic resonance (TMR) spectroscopy and other remote sensing NMR applications includes a semitoroidal radio-frequency (rf) coil. The semitoroidal rf coil produces an effective alternating magnetic field at a distance from the poles of the coil, so as to enable NMR measurements to be taken from selected regions inside an object, particularly including human and other living subjects. The semitoroidal rf coil is relatively insensitive to magnetic interference from metallic objects located behind the coil, thereby rendering the coil particularly suited for use in both conventional and superconducting NMR magnets. The semitoroidal NMR coil can be constructed so that it emits little or no excess rf electric field associated with the rf magnetic field, thus avoiding adverse effects due to dielectric heating of the sample or to any other interaction of the electric field with the sample.

EASY: a simple tool for simultaneously removing background, deadtime and acoustic ringing in quantitative NMR spectroscopy--part I: basic principle and applications.

PubMed

Jaeger, Christian; Hemmann, Felix

2014-01-01

Elimination of Artifacts in NMR SpectroscopY (EASY) is a simple but very effective tool to remove simultaneously any real NMR probe background signal, any spectral distortions due to deadtime ringdown effects and -specifically- severe acoustic ringing artifacts in NMR spectra of low-gamma nuclei. EASY enables and maintains quantitative NMR (qNMR) as only a single pulse (preferably 90°) is used for data acquisition. After the acquisition of the first scan (it contains the wanted NMR signal and the background/deadtime/ringing artifacts) the same experiment is repeated immediately afterwards before the T1 waiting delay. This second scan contains only the background/deadtime/ringing parts. Hence, the simple difference of both yields clean NMR line shapes free of artefacts. In this Part I various examples for complete (1)H, (11)B, (13)C, (19)F probe background removal due to construction parts of the NMR probes are presented. Furthermore, (25)Mg EASY of Mg(OH)2 is presented and this example shows how extremely strong acoustic ringing can be suppressed (more than a factor of 200) such that phase and baseline correction for spectra acquired with a single pulse is no longer a problem. EASY is also a step towards deadtime-free data acquisition as these effects are also canceled completely. EASY can be combined with any other NMR experiment, including 2D NMR, if baseline distortions are a big problem. © 2013 Published by Elsevier Inc.

Broadband spectral study of the jet-disc emission in the radio-loud narrow-line Seyfert 1 galaxy 1H 0323+342

NASA Astrophysics Data System (ADS)

Ghosh, Ritesh; Dewangan, Gulab C.; Mallick, Labani; Raychaudhuri, Biplab

2018-06-01

We present a broadband spectral study of the radio-loud narrow-line Seyfert 1 galaxy 1H 0323+342 based on multi-epoch observations performed with NuSTAR on 2014 March 15, and two simultaneous observations performed with Suzaku and Swift on 2009 July 26 and 2013 March 1. We found the presence of a strong soft X-ray excess emission, a broad but weak Fe line and hard X-ray excess emission. We used the blurred reflection (relxill) and the intrinsic disc Comptonization (optxagnf), two physically motivated models, to describe the broadband spectra and to disentangle the disk/corona and jet emission. The relxill model is mainly constrained by the strong soft X-ray excess although the model failed to predict this excess when fitted above 3{keV} and extrapolated to lower energies. The joint spectral analysis of the three datasets above 3{keV} with this model resulted in a high black hole spin (a > 0.9) and moderate reflection fraction R ˜ 0.5. The optxagnf model fitted to the two simultaneous datasets resulted in an excess emission in the UV band. The simultaneous UV-to-hard X-ray spectra of 1H 0323+342 are best described by a model consisting of a primary X-ray power-law continuum with Γ ˜ 1.8, a blurred reflection component with R ˜ 0.5, Comptonised disk emission as the soft X-ray excess, optical/UV emission from a standard accretion disk around a black hole of mass ˜107M⊙ and a steep power law (Γ ˜ 3 - 3.5) component, most likely the jet emission in the UV band. The fractional RMS variability spectra suggest that both the soft excess and the powerlaw component are variable in nature.

Balmer Absorption Lines in FeLoBALs

NASA Astrophysics Data System (ADS)

Aoki, K.; Iwata, I.; Ohta, K.; Tamura, N.; Ando, M.; Akiyama, M.; Kiuchi, G.; Nakanishi, K.

2007-10-01

We discovered non-stellar Balmer absorption lines in two many-narrow-trough FeLoBALs (mntBALs) by the near-infrared spectroscopy with Subaru/CISCO. Presence of the non-stellar Balmer absorption lines is known to date only in the Seyfert galaxy NGC 4151; thus our discovery is the first cases for quasars. Since all known active galactic nuclei with Balmer absorption lines share similar characteristics, it is suggested that there is a population of BAL quasars which have unique structures at their nuclei or unique evolutionary phase.

Hypothesis driven assessment of an NMR curriculum

NASA Astrophysics Data System (ADS)

Cossey, Kimberly

The goal of this project was to develop a battery of assessments to evaluate an undergraduate NMR curriculum at Penn State University. As a chemical education project, we sought to approach the problem of curriculum assessment from a scientific perspective, while remaining grounded in the education research literature and practices. We chose the phrase hypothesis driven assessment to convey this process of relating the scientific method to the study of educational methods, modules, and curricula. We began from a hypothesis, that deeper understanding of one particular analytical technique (NMR) will increase undergraduate students' abilities to solve chemical problems. We designed an experiment to investigate this hypothesis, and data collected were analyzed and interpreted in light of the hypothesis and several related research questions. The expansion of the NMR curriculum at Penn State was funded through the NSF's Course, Curriculum, and Laboratory Improvement (CCLI) program, and assessment was required. The goal of this project, as stated in the grant proposal, was to provide NMR content in greater depth by integrating NMR modules throughout the curriculum in physical chemistry, instrumental, and organic chemistry laboratory courses. Hands-on contact with the NMR spectrometer and NMR data and repeated exposure of the analytical technique within different contexts (courses) were unique factors of this curriculum. Therefore, we maintained a focus on these aspects throughout the evaluation process. The most challenging and time-consuming aspect of any assessment is the development of testing instruments and methods to provide useful data. After key variables were defined, testing instruments were designed to measure these variables based on educational literature (Chapter 2). The primary variables measured in this assessment were: depth of understanding of NMR, basic NMR knowledge, problem solving skills (HETCOR problem), confidence for skills used in class (within

Defining genetic and chemical diversity in wheat grain by 1H-NMR spectroscopy of polar metabolites.

PubMed

Shewry, Peter R; Corol, Delia I; Jones, Huw D; Beale, Michael H; Ward, Jane L

2017-07-01

The application of high-throughput 1H nuclear magnetic resonance (1H-NMR) of unpurified extracts to determine genetic diversity and the contents of polar components in grain of wheat. Milled whole wheat grain was extracted with 80:20 D 2 O:CD 3 OD containing 0.05% d 4 -trimethylsilylpropionate. 1H-NMR spectra were acquired under automation at 300°K using an Avance Spectrometer operating at 600.0528 MHz. Regions for individual metabolites were identified by comparison to a library of known standards run under identical conditions. The individual 1H-NMR peaks or levels of known metabolites were then compared by Principal Component Analysis using SIMCA-P software. High-throughput 1H-NMR is an excellent tool to compare the extent of genetic diversity within and between wheat species, and to quantify specific components (including glycine betaine, choline, and asparagine) in individual genotypes. It can also be used to monitor changes in composition related to environmental factors and to support comparisons of the substantial equivalence of transgenic lines. © 2017 Rothamsted Research. Molecular Nutrition & Food Research Published by Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tracing bacterial metabolism using multi-nuclear (1H, 2H, and 13C) Solid State NMR: Realizing an Idea Initiated by James Scott

NASA Astrophysics Data System (ADS)

Cody, G.; Fogel, M. L.; Jin, K.; Griffen, P.; Steele, A.; Wang, Y.

2011-12-01

-state NMR experiments, most notably in the spectral region corresponding to glycogen H and C, respectively. Interestingly, whereas in both experiments the predominant site of incorporation was in the membrane lipids, the line width of the aliphatic-D resonance in the D2O enriched experiment is 67 % wider than that observed in the D-glucose enriched experiment. This difference could be due to greater residual 1H-2H dipolar coupling in membrane lipids synthesized with 10 % D2O due to D being incorporated during NADP(D) reduction of the fatty acid precursor during synthesis and the H-glucose being the source of carbon and hydrogen starting with acetyl-CoA. In the case of the D-glucose experiment, the narrower absorption line may be consistent with individual FA's being more homogeneously deuterated. Analysis of the membrane lipids is currently being performed via GCMS in order to gain potentially more insight to guide interpretation of the 2H solid state NMR spectra.

Operation of a 500 MHz high temperature superconducting NMR: towards an NMR spectrometer operating beyond 1 GHz.

PubMed

Yanagisawa, Y; Nakagome, H; Tennmei, K; Hamada, M; Yoshikawa, M; Otsuka, A; Hosono, M; Kiyoshi, T; Takahashi, M; Yamazaki, T; Maeda, H

2010-04-01

We have begun a project to develop an NMR spectrometer that operates at frequencies beyond 1 GHz (magnetic field strength in excess of 23.5 T) using a high temperature superconductor (HTS) innermost coil. As the first step, we developed a 500 MHz NMR with a Bi-2223 HTS innermost coil, which was operated in external current mode. The temporal magnetic field change of the NMR magnet after the coil charge was dominated by (i) the field fluctuation due to a DC power supply and (ii) relaxation in the screening current in the HTS tape conductor; effect (i) was stabilized by the 2H field-frequency lock system, while effect (ii) decreased with time due to relaxation of the screening current induced in the HTS coil and reached 10(-8)(0.01 ppm)/h on the 20th day after the coil charge, which was as small as the persistent current mode of the NMR magnet. The 1D (1)H NMR spectra obtained by the 500 MHz LTS/HTS magnet were nearly equivalent to those obtained by the LTS NMR magnet. The 2D-NOESY, 3D-HNCO and 3D-HNCACB spectra were achieved for ubiquitin by the 500 MHz LTS/HTS magnet; their quality was closely equivalent to that achieved by a conventional LTS NMR. Based on the results of numerical simulation, the effects of screening current-induced magnetic field changes are predicted to be harmless for the 1.03 GHz NMR magnet system. 2010 Elsevier Inc. All rights reserved.

Determination of free fatty acids in pharmaceutical lipids by ¹H NMR and comparison with the classical acid value.

PubMed

Skiera, Christina; Steliopoulos, Panagiotis; Kuballa, Thomas; Diehl, Bernd; Holzgrabe, Ulrike

2014-05-01

Indices like acid value, peroxide value, and saponification value play an important role in quality control and identification of lipids. Requirements on these parameters are given by the monographs of the European pharmacopeia. (1)H NMR spectroscopy provides a fast and simple alternative to these classical approaches. In the present work a new (1)H NMR approach to determine the acid value is described. The method was validated using a statistical approach based on a variance components model. The performance under repeatability and in-house reproducibility conditions was assessed. We applied this (1)H NMR assay to a wide range of different fatty oils. A total of 305 oil and fat samples were examined by both the classical and the NMR method. Except for hard fat, the data obtained by the two methods were in good agreement. The (1)H NMR method was adapted to analyse waxes and oleyloleat. Furthermore, the effect of solvent and in the case of castor oil the effect of the oil matrix on line broadening and chemical shift of the carboxyl group signal are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Achievement of a 920-MHz High Resolution NMR

NASA Astrophysics Data System (ADS)

Hashi, Kenjiro; Shimizu, Tadashi; Goto, Atsushi; Kiyoshi, Tsukasa; Matsumoto, Shinji; Wada, Hitoshi; Fujito, Teruaki; Hasegawa, Ken-ichi; Yoshikawa, Masatoshi; Miki, Takashi; Ito, Satoshi; Hamada, Mamoru; Hayashi, Seiji

2002-06-01

We have developed a 920-MHz NMR system and performed the proton NMR measurement of H 2O and ethylbenzene using the superconducting magnet operating at 21.6 T (920 MHz for proton), which is the highest field produced by a superconducting NMR magnet in the persistent mode. From the NMR measurements, it is verified that both homogeneity and stability of the magnet have a specification sufficient for a high resolution NMR.

The Hubble Space Telescope Quasar Absorption Line Key Project: The Unusual Absorption-Line System in the Spectrum of PG 2302+029--Ejected or Intervening?

NASA Technical Reports Server (NTRS)

Jannuzi, B. T.; Hartig, G. F.; Kirhakos, S.; Sargent, W. L. W.; Turnshek, D. A.; Weymann, R. J.; Bahcall, J. N.; Bergeron, J.; Boksenberg, A.; Savage, B. D.;

Laser-based ultrasonics by dual-probe interferometer detection and narrow-band ultrasound generation

NASA Astrophysics Data System (ADS)

Huang, Jin

1993-01-01

Despite the advantages of laser-based ultrasonic (LBU) systems, the overall sensitivity of LBU systems needs to be improved for practical applications. Progress is reported to achieve better LBU detection accuracy and sensitivity for applications with surface waves and Lamb waves. A novel dual-probe laser interferometer has been developed to measure the same signal at two points. The dual-probe interferometer is a modification of a conventional single-probe interferometer in that the reference beam is guided to a second detecting point on the specimen surface to form a differential measurement mode, which measure the difference of the displacements at the two points. This dual-probe interferometer is particularly useful for accurate measurements of the speed and attenuation of surface waves and Lamb waves. The dual-probe interferometer has been applied to obtain accurate measurements of the surface wave speed and attenuation on surfaces of increasing surface roughness. It has also been demonstrated that with an appropriate signal processing method, namely, the power cepstrum method, the dual-probe interferometer is applicable to measure the local surface wave speed even when the probe separation is so small that the two waveforms in the interferometer output signal overlap in the time domain. Narrow-band signal generation and detection improve the sensitivity of LBU systems. It is proposed to use a diffraction grating to form an array of illuminating strips which form a source of narrowband surface and Lamb waves. The line-array of thermoelastic sources generates narrow-band signals whose frequency and bandwidth can be easily controlled. The optimum line-array parameters, such as width, spacing and the number of lines in the array have been derived theoretically and verified experimentally. Narrow-band signal generation with optimum parameters has been demonstrated. The enhanced LBU system with dual-probe detection and narrowband signal generation has been

Screening of Small Molecule Interactor Library by Using In-Cell NMR Spectroscopy (SMILI-NMR)

PubMed Central

Xie, Jingjing; Thapa, Rajiv; Reverdatto, Sergey; Burz, David S.; Shekhtman, Alexander

2011-01-01

We developed an in-cell NMR assay for screening small molecule interactor libraries (SMILI-NMR) for compounds capable of disrupting or enhancing specific interactions between two or more components of a biomolecular complex. The method relies on the formation of a well-defined biocomplex and utilizes in-cell NMR spectroscopy to identify the molecular surfaces involved in the interaction at atomic scale resolution. Changes in the interaction surface caused by a small molecule interfering with complex formation are used as a read-out of the assay. The in-cell nature of the experimental protocol insures that the small molecule is capable of penetrating the cell membrane and specifically engaging the target molecule(s). Utility of the method was demonstrated by screening a small dipeptide library against the FKBP–FRB protein complex involved in cell cycle arrest. The dipeptide identified by SMILI-NMR showed biological activity in a functional assay in yeast. PMID:19422228

Automated structure determination of proteins with the SAIL-FLYA NMR method.

PubMed

Takeda, Mitsuhiro; Ikeya, Teppei; Güntert, Peter; Kainosho, Masatsune

2007-01-01

The labeling of proteins with stable isotopes enhances the NMR method for the determination of 3D protein structures in solution. Stereo-array isotope labeling (SAIL) provides an optimal stereospecific and regiospecific pattern of stable isotopes that yields sharpened lines, spectral simplification without loss of information, and the ability to collect rapidly and evaluate fully automatically the structural restraints required to solve a high-quality solution structure for proteins up to twice as large as those that can be analyzed using conventional methods. Here, we describe a protocol for the preparation of SAIL proteins by cell-free methods, including the preparation of S30 extract and their automated structure analysis using the FLYA algorithm and the program CYANA. Once efficient cell-free expression of the unlabeled or uniformly labeled target protein has been achieved, the NMR sample preparation of a SAIL protein can be accomplished in 3 d. A fully automated FLYA structure calculation can be completed in 1 d on a powerful computer system.

Characterization and mapping of LanrBo: a locus conferring anthracnose resistance in narrow-leafed lupin (Lupinus angustifolius L.).

PubMed

Fischer, Kristin; Dieterich, Regine; Nelson, Matthew N; Kamphuis, Lars G; Singh, Karam B; Rotter, Björn; Krezdorn, Nicolas; Winter, Peter; Wehling, Peter; Ruge-Wehling, Brigitte

2015-10-01

A novel and highly effective source of anthracnose resistance in narrow-leafed lupin was identified. Resistance was shown to be governed by a single dominant locus. Molecular markers have been developed, which can be used for selecting resistant genotypes in lupin breeding. A screening for anthracnose resistance of a set of plant genetic resources of narrow-leafed lupin (Lupinus angustifolius L.) identified the breeding line Bo7212 as being highly resistant to anthracnose (Colletotrichum lupini). Segregation analysis indicated that the resistance of Bo7212 is inherited by a single dominant locus. The corresponding resistance gene was given the designation LanrBo. Previously published molecular anchor markers allowed us to locate LanrBo on linkage group NLL-11 of narrow-leafed lupin. Using information from RNAseq data obtained with inoculated resistant vs. susceptible lupin entries as well as EST-sequence information from the model genome Lotus japonicus, additional SNP and EST markers linked to LanrBo were derived. A bracket of two LanrBo-flanking markers allows for precise marker-assisted selection of the novel resistance gene in narrow-leafed lupin breeding programs.

Dynamic Nuclear Polarization-Enhanced Biomolecular NMR Spectroscopy at High Magnetic Field with Fast Magic-Angle Spinning.

PubMed

Jaudzems, Kristaps; Bertarello, Andrea; Chaudhari, Sachin R; Pica, Andrea; Cala-De Paepe, Diane; Barbet-Massin, Emeline; Pell, Andrew J; Akopjana, Inara; Kotelovica, Svetlana; Gajan, David; Ouari, Olivier; Tars, Kaspars; Pintacuda, Guido; Lesage, Anne

2018-06-18

Dynamic nuclear polarization (DNP) is a powerful way to overcome the sensitivity limitation of magic-angle-spinning (MAS) NMR experiments. However, the resolution of the DNP NMR spectra of proteins is compromised by severe line broadening associated with the necessity to perform experiments at cryogenic temperatures and in the presence of paramagnetic radicals. High-quality DNP-enhanced NMR spectra of the Acinetobacter phage 205 (AP205) nucleocapsid can be obtained by combining high magnetic field (800 MHz) and fast MAS (40 kHz). These conditions yield enhanced resolution and long coherence lifetimes allowing the acquisition of resolved 2D correlation spectra and of previously unfeasible scalar-based experiments. This enables the assignment of aromatic resonances of the AP205 coat protein and its packaged RNA, as well as the detection of long-range contacts, which are not observed at room temperature, opening new possibilities for structure determination. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

NMR at Low and Ultra-Low Temperatures

PubMed Central

Tycko, Robert

2017-01-01

Conspectus Solid state nuclear magnetic resonance (NMR) measurements at low temperatures have been common in physical sciences for many years, and are becoming increasingly important in studies of biomolecular systems. This article reviews a diverse set of projects from my laboratory, dating back to the early 1990s, that illustrate the motivations for low-temperature solid state NMR, the types of information that are available from the measurements, and likely directions for future research. These projects include NMR studies of both physical and biological systems, performed at low (cooled with nitrogen, down to 77 K) and very low (cooled with helium, below 77 K) temperatures, and performed with and without magic-angle spinning (MAS). In NMR studies of physical systems, the main motivation is to study phenomena that occur only at low temperatures. Two examples from my laboratory are studies of molecular rotation and an orientational ordering in solid C60 at low temperatures and studies of unusual electronic states, called skyrmions, in two-dimensionally confined electron systems within semiconductor quantum wells. NMR measurements on quantum wells were facilitated by optical pumping of nuclear spin polarizations, a signal enhancement phenomenon that exists at very low temperatures. In studies of biomolecular systems, motivations for low-temperature NMR include suppression of molecular tumbling (thereby permitting solid state NMR measurements on soluble proteins), suppression of conformational exchange (thereby permitting quantitation of conformational distributions), and trapping of transient intermediate states in a non-equilibrium kinetic process (by rapid freeze-quenching). Solid state NMR measurements on AIDS-related peptide/antibody complexes, chemically denatured states of the model protein HP35, and a transient intermediate in the rapid folding pathway of HP35 illustrate these motivations. NMR sensitivity generally increases with decreasing sample

NMR shielding calculations across the periodic table: diamagnetic uranium compounds. 2. Ligand and metal NMR.

PubMed

Schreckenbach, Georg

2002-12-16

In this and a previous article (J. Phys. Chem. A 2000, 104, 8244), the range of application for relativistic density functional theory (DFT) is extended to the calculation of nuclear magnetic resonance (NMR) shieldings and chemical shifts in diamagnetic actinide compounds. Two relativistic DFT methods are used, ZORA ("zeroth-order regular approximation") and the quasirelativistic (QR) method. In the given second paper, NMR shieldings and chemical shifts are calculated and discussed for a wide range of compounds. The molecules studied comprise uranyl complexes, [UO(2)L(n)](+/-)(q); UF(6); inorganic UF(6) derivatives, UF(6-n)Cl(n), n = 0-6; and organometallic UF(6) derivatives, UF(6-n)(OCH(3))(n), n = 0-5. Uranyl complexes include [UO(2)F(4)](2-), [UO(2)Cl(4)](2-), [UO(2)(OH)(4)](2-), [UO(2)(CO(3))(3)](4-), and [UO(2)(H(2)O)(5)](2+). For the ligand NMR, moderate (e.g., (19)F NMR chemical shifts in UF(6-n)Cl(n)) to excellent agreement [e.g., (19)F chemical shift tensor in UF(6) or (1)H NMR in UF(6-n)(OCH(3))(n)] has been found between theory and experiment. The methods have been used to calculate the experimentally unknown (235)U NMR chemical shifts. A large chemical shift range of at least 21,000 ppm has been predicted for the (235)U nucleus. ZORA spin-orbit appears to be the most accurate method for predicting actinide metal chemical shifts. Trends in the (235)U NMR chemical shifts of UF(6-n)L(n) molecules are analyzed and explained in terms of the calculated electronic structure. It is argued that the energy separation and interaction between occupied and virtual orbitals with f-character are the determining factors.

A Recollimation Shock in a Stationary Jet Feature with Limb-brightening in the Gamma-Ray-emitting Narrow-line Seyfert 1 Galaxy 1H 0323+342

NASA Astrophysics Data System (ADS)

Doi, Akihiro; Hada, Kazuhiro; Kino, Motoki; Wajima, Kiyoaki; Nakahara, Satomi

2018-04-01

We report the discovery of a local convergence of a jet cross section in the quasi-stationary jet feature in the γ-ray-emitting narrow-line Seyfert 1 galaxy (NLS1) 1H 0323+342. The convergence site is located at ∼7 mas (corresponding to the order of 100 pc in deprojection) from the central engine. We also found limb-brightened jet structures at both the upstream and downstream of the convergence site. We propose that the quasi-stationary feature showing the jet convergence and limb-brightening occurs as a consequence of recollimation shock in the relativistic jets. The quasi-stationary feature is one of the possible γ-ray-emitting sites in this NLS1, in analogy with the HST-1 complex in the M87 jet. Monitoring observations have revealed that superluminal components passed through the convergence site and the peak intensity of the quasi-stationary feature, which showed apparent coincidences with the timing of observed γ-ray activities.

Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

ERIC Educational Resources Information Center

Borman, Stuart A.

1982-01-01

Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

NMR Spectra through the Eyes of a Student: Eye Tracking Applied to NMR Items

ERIC Educational Resources Information Center

Topczewski, Joseph J.; Topczewski, Anna M.; Tang, Hui; Kendhammer, Lisa K.; Pienta, Norbert J.

2017-01-01

Nuclear magnetic resonance spectroscopy (NMR) plays a key role in introductory organic chemistry, spanning theory, concepts, and experimentation. Therefore, it is imperative that the instruction methods for NMR are both efficient and effective. By utilizing eye tracking equipment, the researchers were able to monitor how second-semester organic…

Improved nuclear magnetic resonance apparatus having semitoroidal rf coil for use in topical NMR and NMR imaging

DOEpatents

Fukushima, E.; Roeder, S.B.W.; Assink, R.A.; Gibson, A.A.V.

1984-01-01

An improved nuclear magnetic resonance (NMR) apparatus for use in topical magnetic resonance (TMR) spectroscopy and other remote sensing NMR applications includes a semitoroidal radio frequency (rf) coil. The semitoroidal rf coil produces an effective alternating magnetic field at a distance from the poles of the coil, so as to enable NMR measurements to be taken from selected regions inside an object, particularly including human and other living subjects. The semitoroidal rf coil is relatively insensitive to magnetic interference from metallic objects located behind the coil, thereby rendering the coil particularly suited for use in both conventional and superconducting NMR magnets. The semitoroidal NMR coil can be constructed so that it emits little or no excess rf electric field associated with the rf magnetic field, thus avoiding adverse effects due to dielectric heating of the sample or to any other interaction of the electric field with the sample.

Quartz Crystal Temperature Sensor for MAS NMR

NASA Astrophysics Data System (ADS)

Simon, Gerald

1997-10-01

Quartz crystal temperature sensors (QCTS) were tested for the first time as wireless thermometers in NMR MAS rotors utilizing the NMR RF technique itself for exiting and receiving electro-mechanical quartz resonances. This new tool in MAS NMR has a high sensitivity, linearity, and precision. When compared to the frequently used calibration of the variable temperature in the NMR system by a solid state NMR chemical shift thermometer (CST), such as lead nitrate, QCTS shows a number of advantages. It is an inert thermometer in close contact with solid samples operating parallel to the NMR experiment. QCTS can be manufactured for any frequency to be near a NMR frequency of interest (typically 1 to 2 MHz below or above). Due to the strong response of the crystal, signal detection is possible without changing the tuning of the MAS probe. The NMR signal is not influenced due to the relative sharp crystal resonance, restricted excitation by finite pulses, high probeQvalues, and commonly used audio filters. The quadratic dependence of the temperature increase on spinning speed is the same for the QCTS and for the CST lead nitrate and is discussed in terms of frictional heat in accordance with the literature about lead nitrate and with the results of a simple rotor speed jump experiment with differently radial located lead nitrate in the rotor.

Challenges and perspectives in quantitative NMR.

PubMed

Giraudeau, Patrick

2017-01-01

This perspective article summarizes, from the author's point of view at the beginning of 2016, the major challenges and perspectives in the field of quantitative NMR. The key concepts in quantitative NMR are first summarized; then, the most recent evolutions in terms of resolution and sensitivity are discussed, as well as some potential future research directions in this field. A particular focus is made on methodologies capable of boosting the resolution and sensitivity of quantitative NMR, which could open application perspectives in fields where the sample complexity and the analyte concentrations are particularly challenging. These include multi-dimensional quantitative NMR and hyperpolarization techniques such as para-hydrogen-induced polarization or dynamic nuclear polarization. Because quantitative NMR cannot be dissociated from the key concepts of analytical chemistry, i.e. trueness and precision, the methodological developments are systematically described together with their level of analytical performance. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

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

Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu

2015-10-14

Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), {sup 1}H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong {sup 1}H–{sup 1}H homonuclear dipolar couplings and narrow {sup 1}H chemical shift (CS) ranges, which rendermore » it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) {sup 1}H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about {sup 1}H–{sup 1}H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful

Search for gravitational redshifted absorption lines in LMXB Serpens X-1

NASA Astrophysics Data System (ADS)

Yoneda, Hiroki; Done, Chris; Paerels, Frits; Takahashi, Tadayuki; Watanabe, Shin

2018-04-01

The equation of state for ultradense matter can be tested from observations of the ratio of mass to radius of neutron stars. This could be measured precisely from the redshift of a narrow line produced on the surface. X-rays bursts have been intensively searched for such features, but so far without detection. Here instead we search for redshifted lines in the persistent emission, where the accretion flow dominates over the surface emission. We discuss the requirements for narrow lines to be produced, and show that narrow absorption lines from highly ionized iron can potentially be observable in accreting low-mass X-ray binaries (LMXBs; low B field) that have either low spin or low inclination so that Doppler broadening is small. This selects Serpens X-1 as the only potential candidate persistent LMXB due to its low inclination. Including surface models in the broad-band accretion flow model predicts that the absorption line from He-like iron at 6.7 keV should be redshifted to ˜5.1-5.7 keV (10-15 km for 1.4 M⊙) and have an equivalent width of 0.8-8 eV for surface temperatures of 7-10 × 106 K. We use the high-resolution Chandra grating data to give a firm upper limit of 2-3 eV for an absorption line at ˜5 keV. We discuss possible reasons for this lack of detection (the surface temperature and the geometry of the boundary layer etc.). Future instruments with better sensitivity are required in order to explore the existence of such features.

A Vision-Aided 3D Path Teaching Method before Narrow Butt Joint Welding.

PubMed

Zeng, Jinle; Chang, Baohua; Du, Dong; Peng, Guodong; Chang, Shuhe; Hong, Yuxiang; Wang, Li; Shan, Jiguo

2017-05-11

For better welding quality, accurate path teaching for actuators must be achieved before welding. Due to machining errors, assembly errors, deformations, etc., the actual groove position may be different from the predetermined path. Therefore, it is significant to recognize the actual groove position using machine vision methods and perform an accurate path teaching process. However, during the teaching process of a narrow butt joint, the existing machine vision methods may fail because of poor adaptability, low resolution, and lack of 3D information. This paper proposes a 3D path teaching method for narrow butt joint welding. This method obtains two kinds of visual information nearly at the same time, namely 2D pixel coordinates of the groove in uniform lighting condition and 3D point cloud data of the workpiece surface in cross-line laser lighting condition. The 3D position and pose between the welding torch and groove can be calculated after information fusion. The image resolution can reach 12.5 μm. Experiments are carried out at an actuator speed of 2300 mm/min and groove width of less than 0.1 mm. The results show that this method is suitable for groove recognition before narrow butt joint welding and can be applied in path teaching fields of 3D complex components.

NMR-based automated protein structure determination.

PubMed

Würz, Julia M; Kazemi, Sina; Schmidt, Elena; Bagaria, Anurag; Güntert, Peter

2017-08-15

NMR spectra analysis for protein structure determination can now in many cases be performed by automated computational methods. This overview of the computational methods for NMR protein structure analysis presents recent automated methods for signal identification in multidimensional NMR spectra, sequence-specific resonance assignment, collection of conformational restraints, and structure calculation, as implemented in the CYANA software package. These algorithms are sufficiently reliable and integrated into one software package to enable the fully automated structure determination of proteins starting from NMR spectra without manual interventions or corrections at intermediate steps, with an accuracy of 1-2 Å backbone RMSD in comparison with manually solved reference structures. Copyright © 2017 Elsevier Inc. All rights reserved.

Solution NMR Spectroscopy in Target-Based Drug Discovery.

PubMed

Li, Yan; Kang, Congbao

2017-08-23

Solution NMR spectroscopy is a powerful tool to study protein structures and dynamics under physiological conditions. This technique is particularly useful in target-based drug discovery projects as it provides protein-ligand binding information in solution. Accumulated studies have shown that NMR will play more and more important roles in multiple steps of the drug discovery process. In a fragment-based drug discovery process, ligand-observed and protein-observed NMR spectroscopy can be applied to screen fragments with low binding affinities. The screened fragments can be further optimized into drug-like molecules. In combination with other biophysical techniques, NMR will guide structure-based drug discovery. In this review, we describe the possible roles of NMR spectroscopy in drug discovery. We also illustrate the challenges encountered in the drug discovery process. We include several examples demonstrating the roles of NMR in target-based drug discoveries such as hit identification, ranking ligand binding affinities, and mapping the ligand binding site. We also speculate the possible roles of NMR in target engagement based on recent processes in in-cell NMR spectroscopy.

Determination of dipole coupling constants using heteronuclear multiple quantum NMR

NASA Astrophysics Data System (ADS)

Weitekamp, D. P.; Garbow, J. R.; Pines, A.

1982-09-01

The problem of extracting dipole couplings from a system of N spins I = 1/2 and one spin S by NMR techniques is analyzed. The resolution attainable using a variety of single quantum methods is reviewed. The theory of heteronuclear multiple quantum (HMQ) NMR is developed, with particular emphasis being placed on the superior resolution available in HMQ spectra. Several novel pulse sequences are introduced, including a two-step method for the excitation of HMQ coherence. Experiments on partially oriented [1-13C] benzene demonstrate the excitation of the necessary HMQ coherence and illustrate the calculation of relative line intensities. Spectra of high order HMQ coherence under several different effective Hamiltonians achievable by multiple pulse sequences are discussed. A new effective Hamiltonian, scalar heteronuclear recoupled interactions by multiple pulse (SHRIMP), achieved by the simultaneous irradiation of both spin species with the same multiple pulse sequence, is introduced. Experiments are described which allow heteronuclear couplings to be correlated with an S-spin spreading parameter in spectra free of inhomogeneous broadening.

SPINS: standardized protein NMR storage. A data dictionary and object-oriented relational database for archiving protein NMR spectra.

PubMed

Baran, Michael C; Moseley, Hunter N B; Sahota, Gurmukh; Montelione, Gaetano T

2002-10-01

Modern protein NMR spectroscopy laboratories have a rapidly growing need for an easily queried local archival system of raw experimental NMR datasets. SPINS (Standardized ProteIn Nmr Storage) is an object-oriented relational database that provides facilities for high-volume NMR data archival, organization of analyses, and dissemination of results to the public domain by automatic preparation of the header files required for submission of data to the BioMagResBank (BMRB). The current version of SPINS coordinates the process from data collection to BMRB deposition of raw NMR data by standardizing and integrating the storage and retrieval of these data in a local laboratory file system. Additional facilities include a data mining query tool, graphical database administration tools, and a NMRStar v2. 1.1 file generator. SPINS also includes a user-friendly internet-based graphical user interface, which is optionally integrated with Varian VNMR NMR data collection software. This paper provides an overview of the data model underlying the SPINS database system, a description of its implementation in Oracle, and an outline of future plans for the SPINS project.

Hyperpolarization of {sup 133}Cs nuclei enhanced by ion movement in a cesium salt

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

Ishikawa, Kiyoshi

2011-12-15

Hyperpolarization of {sup 133}Cs nuclei in CsCl salt is achieved through spin transfer from an optically pumped Cs vapor, with maximum polarizations of 0.1% demonstrated. Motional narrowing of the enhanced NMR line indicates that ion movement facilitates this process by transporting spin-polarized ions from the interface into the salt. The resulting NMR enhancement allows measurement of the polarization and its dynamics in real time. Based upon the NMR frequency and the longitudinal spin relaxation time, we find no evidence that the salt is contaminated by Cs metal or paramagnetic impurities. The Cs nuclear polarization reported here could be improved severalmore » orders of magnitude by intense laser heating of the entire sample.« less

Narrow-headed garter snake (Thamnophis rufipunctatus)

USGS Publications Warehouse

Nowak, Erika M.

2006-01-01

The narrow-headed garter snake is a harmless, nonvenomous snake that is distinguished by its elongated, triangular-shaped head and the red or dark spots on its olive to tan body. Today, the narrow-headed garter snake is a species of special concern in the United States because of its decline over much of its historic range. Arizona's Oak Creek has historically contained the largest population of narrow-headed garter snakes in the United States. The U.S. Geological Survey (USGS) and the Arizona Game and Fish Department jointly funded research by USGS scientists in Oak Creek to shed light on the factors causing declining population numbers. The research resulted in better understanding of the snake's habitat needs, winter and summer range, and dietary habits. Based on the research findings, the U.S. Forest Service has developed recommendations that visitors and local residents can adopt to help slow the decline of the narrow-headed garter snake in Oak Creek.

A Simple Approach for Obtaining High Resolution, High Sensitivity ¹H NMR Metabolite Spectra of Biofluids with Limited Mass Supply

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

Hu, Jian Zhi; Rommereim, Donald N.; Wind, Robert A.

2006-11-01

A simple approach is reported that yields high resolution, high sensitivity ¹H NMR spectra of biofluids with limited mass supply. This is achieved by spinning a capillary sample tube containing a biofluid at the magic angle at a frequency of about 80Hz. A 2D pulse sequence called ¹H PASS is then used to produce a high-resolution ¹H NMR spectrum that is free from magnetic susceptibility induced line broadening. With this new approach a high resolution ¹H NMR spectrum of biofluids with a volume less than 1.0 µl can be easily achieved at a magnetic field strength as low as 7.05T.more » Furthermore, the methodology facilitates easy sample handling, i.e., the samples can be directly collected into inexpensive and disposable capillary tubes at the site of collection and subsequently used for NMR measurements. In addition, slow magic angle spinning improves magnetic field shimming and is especially suitable for high throughput investigations. In this paper first results are shown obtained in a magnetic field of 7.05T on urine samples collected from mice using a modified commercial NMR probe.« less

Imaging Extended Emission-Line Regions of Obscured AGN with the Subaru Hyper Suprime-Cam Survey

NASA Astrophysics Data System (ADS)

Sun, Ai-Lei; Greene, Jenny E.; Zakamska, Nadia L.; Goulding, Andy; Strauss, Michael A.; Huang, Song; Johnson, Sean; Kawaguchi, Toshihiro; Matsuoka, Yoshiki; Marsteller, Alisabeth A.; Nagao, Tohru; Toba, Yoshiki

2018-05-01

Narrow-line regions excited by active galactic nuclei (AGN) are important for studying AGN photoionization and feedback. Their strong [O III] lines can be detected with broadband images, allowing morphological studies of these systems with large-area imaging surveys. We develop a new broad-band imaging technique to reconstruct the images of the [O III] line using the Subaru Hyper Suprime-Cam (HSC) Survey aided with spectra from the Sloan Digital Sky Survey (SDSS). The technique involves a careful subtraction of the galactic continuum to isolate emission from the [O III]λ5007 and [O III]λ4959 lines. Compared to traditional targeted observations, this technique is more efficient at covering larger samples without dedicated observational resources. We apply this technique to an SDSS spectroscopically selected sample of 300 obscured AGN at redshifts 0.1 - 0.7, uncovering extended emission-line region candidates with sizes up to tens of kpc. With the largest sample of uniformly derived narrow-line region sizes, we revisit the narrow-line region size - luminosity relation. The area and radii of the [O III] emission-line regions are strongly correlated with the AGN luminosity inferred from the mid-infrared (15 μm rest-frame) with a power-law slope of 0.62^{+0.05}_{-0.06}± 0.10 (statistical and systematic errors), consistent with previous spectroscopic findings. We discuss the implications for the physics of AGN emission-line regions and future applications of this technique, which should be useful for current and next-generation imaging surveys to study AGN photoionization and feedback with large statistical samples.

Antiferromagnetic Ordering in Quasi-Triangular Localized Spin System, β'-Et2Me2P[Pd(dmit)2]2, Studied by 13C NMR

NASA Astrophysics Data System (ADS)

Otsuka, Kei; Iikubo, Hideaki; Kogure, Takayuki; Takano, Yoshiki; Hiraki, Ko-ichi; Takahashi, Toshihiro; Cui, Hengbo; Kato, Reizo

2014-05-01

We performed 13C NMR measurements of a selectively 13C isotope-labeled single-crystal sample of a frustrated spin system, β'-Et2Me2P[Pd(dmit)2]2. A long-range antiferromagnetic (AF) ordering below 17 K was confirmed by the observation of NMR spectrum broadening and well split resonance lines at lower temperatures. NMR spectra in the AF state can be well explained by a two sublattice model. From the analysis of the angular dependence of the NMR spectrum, we clarified the magnetic structure in the AF state, where the easy and hard axes are the crystallographic c*- and b-axes, respectively, and the effective localized moments are quite small, ˜0.28 μB/dimer. This suggests a strong quantum fluctuation effect due to magnetic frustrations in a quasi-triangular spin-1/2 system.

HPLC & NMR-based forced degradation studies of ifosfamide: The potential of NMR in stability studies.

PubMed

Salman, D; Peron, J-M R; Goronga, T; Barton, S; Swinden, J; Nabhani-Gebara, S

2016-03-01

The aim of this study is to conduct a forced degradation study on ifosfamide under several stress conditions to investigate the robustness of the developed HPLC method. It also aims to provide further insight into the stability of ifosfamide and its degradation profile using both HPLC and NMR. Ifosfamide solutions (20mg/mL; n=15, 20mL) were stressed in triplicate by heating (70°C), under acidic (pH 1 & 4) and alkaline (pH 10 & 12) conditions. Samples were analysed periodically using HPLC and FT-NMR. Ifosfamide was most stable under weakly acidic conditions (pH 4). NMR results suggested that the mechanism of ifosfamide degradation involves the cleavage of the PN bond. For all stress conditions, HPLC was not able to detect ifosfamide degradation products that were detected by NMR. These results suggest that the developed HPLC method for ifosfamide did not detect the degradation products shown by NMR. It is possible that degradation products co-elute with ifosfamide, do not elute altogether or are not amenable to the detection method employed. Therefore, investigation of ifosfamide stability requires additional techniques that do not suffer from the aforementioned shortcomings. Copyright © 2015 Académie Nationale de Pharmacie. Published by Elsevier Masson SAS. All rights reserved.

The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solids.

PubMed

Charpentier, Thibault

2011-07-01

In 2001, Mauri and Pickard introduced the gauge including projected augmented wave (GIPAW) method that enabled for the first time the calculation of all-electron NMR parameters in solids, i.e. accounting for periodic boundary conditions. The GIPAW method roots in the plane wave pseudopotential formalism of the density functional theory (DFT), and avoids the use of the cluster approximation. This method has undoubtedly revitalized the interest in quantum chemical calculations in the solid-state NMR community. It has quickly evolved and improved so that the calculation of the key components of NMR interactions, namely the shielding and electric field gradient tensors, has now become a routine for most of the common nuclei studied in NMR. Availability of reliable implementations in several software packages (CASTEP, Quantum Espresso, PARATEC) make its usage more and more increasingly popular, maybe indispensable in near future for all material NMR studies. The majority of nuclei of the periodic table have already been investigated by GIPAW, and because of its high accuracy it is quickly becoming an essential tool for interpreting and understanding experimental NMR spectra, providing reliable assignments of the observed resonances to crystallographic sites or enabling a priori prediction of NMR data. The continuous increase of computing power makes ever larger (and thus more realistic) systems amenable to first-principles analysis. In the near future perspectives, as the incorporation of dynamical effects and/or disorder are still at their early developments, these areas will certainly be the prime target. Copyright © 2011 Elsevier Inc. All rights reserved.

Recommendations of the wwPDB NMR Validation Task Force

PubMed Central

Montelione, Gaetano T.; Nilges, Michael; Bax, Ad; Güntert, Peter; Herrmann, Torsten; Richardson, Jane S.; Schwieters, Charles; Vranken, Wim F.; Vuister, Geerten W.; Wishart, David S.; Berman, Helen M.; Kleywegt, Gerard J.; Markley, John L.

2013-01-01

As methods for analysis of biomolecular structure and dynamics using nuclear magnetic resonance spectroscopy (NMR) continue to advance, the resulting 3D structures, chemical shifts, and other NMR data are broadly impacting biology, chemistry, and medicine. Structure model assessment is a critical area of NMR methods development, and is an essential component of the process of making these structures accessible and useful to the wider scientific community. For these reasons, the Worldwide Protein Data Bank (wwPDB) has convened an NMR Validation Task Force (NMR-VTF) to work with the wwPDB partners in developing metrics and policies for biomolecular NMR data harvesting, structure representation, and structure quality assessment. This paper summarizes the recommendations of the NMR-VTF, and lays the groundwork for future work in developing standards and metrics for biomolecular NMR structure quality assessment. PMID:24010715

Fast acquisition of multidimensional NMR spectra of solids and mesophases using alternative sampling methods.

PubMed

Lesot, Philippe; Kazimierczuk, Krzysztof; Trébosc, Julien; Amoureux, Jean-Paul; Lafon, Olivier

2015-11-01

Unique information about the atom-level structure and dynamics of solids and mesophases can be obtained by the use of multidimensional nuclear magnetic resonance (NMR) experiments. Nevertheless, the acquisition of these experiments often requires long acquisition times. We review here alternative sampling methods, which have been proposed to circumvent this issue in the case of solids and mesophases. Compared to the spectra of solutions, those of solids and mesophases present some specificities because they usually display lower signal-to-noise ratios, non-Lorentzian line shapes, lower spectral resolutions and wider spectral widths. We highlight herein the advantages and limitations of these alternative sampling methods. A first route to accelerate the acquisition time of multidimensional NMR spectra consists in the use of sparse sampling schemes, such as truncated, radial or random sampling ones. These sparsely sampled datasets are generally processed by reconstruction methods differing from the Discrete Fourier Transform (DFT). A host of non-DFT methods have been applied for solids and mesophases, including the G-matrix Fourier transform, the linear least-square procedures, the covariance transform, the maximum entropy and the compressed sensing. A second class of alternative sampling consists in departing from the Jeener paradigm for multidimensional NMR experiments. These non-Jeener methods include Hadamard spectroscopy as well as spatial or orientational encoding of the evolution frequencies. The increasing number of high field NMR magnets and the development of techniques to enhance NMR sensitivity will contribute to widen the use of these alternative sampling methods for the study of solids and mesophases in the coming years. Copyright © 2015 John Wiley & Sons, Ltd.

NMR at pressures up to 90 GPa

NASA Astrophysics Data System (ADS)

Meier, Thomas; Khandarkhaeva, Saiana; Petitgirard, Sylvain; Körber, Thomas; Lauerer, Alexander; Rössler, Ernst; Dubrovinsky, Leonid

2018-07-01

The past 15 years have seen an astonishing increase in Nuclear Magnetic Resonance (NMR) sensitivity and accessible pressure range in high-pressure NMR experiments, owing to a series of new developments of NMR spectroscopy applied to the diamond anvil cell (DAC). Recently, with the application of electro-magnetic lenses, so-called Lenz lenses, in toroidal diamond indenter cells, pressures of up to 72 GPa with NMR spin sensitivities of about 1012 spin/Hz1/2 has been achieved. Here, we describe the implementation of a refined NMR resonator structure using a pair of double stage Lenz lenses driven by a Helmholtz coil within a standard DAC, allowing to measure sample volumes as small as 100 pl prior to compression. With this set-up, pressures close to 100 GPa could be realised repeatedly, with enhanced spin sensitivities of about 5 × 1011 spin/Hz1/2. The manufacturing and handling of these new NMR-DACs is relatively easy and straightforward, which will allow for further applications in physics, chemistry, or biochemistry.

The XMM-Newton Iron Line Profile of NGC 3783

NASA Technical Reports Server (NTRS)

Reeves, J. N.; Nandra, K.; George, I. M.; Pounds, K. A.; Turner, T. J.; Yaqoob, T.

2003-01-01

We report on observations of the iron K line in the nearby Seyfert 1 galaxy, NGC 3783, obtained in a long, 2 orbit (approx. 240 ks) XMM-Newton observation. The line profile obtained exhibits two strong narrow peaks at 6.4 keV and at 7.0 keV, with measured line equivalent widths of 120 and 35 eV respectively. The 6.4 keV emission is the K(alpha) line from near neutral Fe, whilst the 7.0 keV feature probably originates from a blend of the neutral Fe K(beta) line and the Hydrogen-like line of Fe at 6.97 keV. The relatively narrow velocity width of the K(alpha) line (approx. less than 5000 km/s), its lack of response to the continuum emission on short timescales and the detection of a neutral Compton reflection component are all consistent with a distant origin in Compton-thick matter such as the putative molecular torus. A strong absorption line from highly ionized iron (at 6.67 keV) is detected in the time-averaged iron line profile, whilst the depth of the feature appears to vary with time, being strongest when the continuum flux is higher. The iron absorption line probably arises from the highest ionization component of the known warm absorber in NGC 3783, with an ionization of log xi approx 3 and column density of N(sub H) approx. 5 x 10(exp 22)/sq cm and may originate from within 0.1 pc of the nucleus. A weak red-wing to the iron K line profile is also detected below 6.4 keV. However when the effect of the highly ionized warm absorber on the underlying continuum is taken into account, the requirement for a relativistic iron line component from the inner disk is reduced.

Using 31P NMR spectroscopy at 14.1 Tesla to investigate PARP-1 associated energy failure and metabolic rescue in cerebrocortical slices.

PubMed

Zeng, Jianying; Hirai, Kiyoshi; Yang, Guo-Yuan; Ying, Weihai; Swanson, Raymond A; Kelly, Mark; Mayer, Moriz; James, Thomas L; Litt, Lawrence

2004-08-01

PARP-1 activation by H(2)O(2) in an acute preparation of superfused, respiring, neonatal cerebrocortical slices was assessed from PAR-polymer formation detected with immunohistochemistry and Western blotting. (31)P NMR spectroscopy at 14.1 Tesla of perchloric acid slice extracts was used to assess energy failure in a 1-h H(2)O(2) exposure as well as in a subsequent 4-h recovery period where the superfusate had no H(2)O(2) and specifically chosen metabolic substrates. Although more data are needed to fully characterize different bioenergetic responses, a high NMR spectral resolution (PCr full-width at half-max approximately.01 ppm) and narrow widths for most metabolites (<.2 ppm) permitted accurate quantifications of spectrally resolved resonances for ADP, ATP, NAD(+)/NADH, and other high energy phosphates. It appears possible to use brain slices to quantitatively study PARP-related, NAD-associated energy failure, and rescue with TCA metabolites.

Coexistence of charge order and antiferromagnetism in (TMTTF)2SbF6: NMR study

NASA Astrophysics Data System (ADS)

Nomura, K.; Yamamoto, M.; Matsunaga, N.; Hirose, S.; Shimohara, N.; Satoh, T.; Isome, T.; Liu, Y.; Kawamoto, A.

2015-03-01

The electronic state of (TMTTF)2SbF6 was investigated by the 1H and 13C NMR measurements. The temperature dependence of T1-1 in 1H NMR shows a sharp peak associated with the antiferromagnetic transition at TAF=6 K. The temperature dependence of T1-1 is described by the power law T2.4 below TAF. This suggests the nodal gapless spin wave excitation in antiferromagnetic phase. In 13C NMR, two sharp peaks at high temperature region, associated with the inner and the outer carbon sites in TMTTF dimer, split into four peaks below 150 K. It indicates that the charge disproportionation occurs. The degree of charge disproportionation Δρ is estimated as (0.25±0.09)e from the chemical shift difference. This value of Δρ is consistent with that obtained from the infrared spectroscopy. In the antiferromagnetic state (AFI), the observed line shape is well fitted by eight Lorentzian peaks. This suggests that the charge order with the same degree still remains in the AF state. From the line assignment, the AF staggered spin amplitude is obtained as 0.70 μB and 0.24 μB at the charge rich and the poor sites, respectively. These values corresponding to almost 1 μB per dimer are quite different from 0.11 μB of another AF (AFII) state in (TMTTF)2Br with effective higher pressure. As a result, it is understood that the antiferromagnetic staggered spin order is stabilized on the CO state in the AFI phase of (TMTTF)2SbF6.

Quantitative metabolite profiling of edible onion species by NMR and HPLC-MS.

PubMed

Soininen, Tuula H; Jukarainen, Niko; Auriola, Seppo O K; Julkunen-Tiitto, Riitta; Karjalainen, Reijo; Vepsäläinen, Jouko J

2014-12-15

Allium genus is a treasure trove of valuable bioactive compounds with potentially therapeutically important properties. This work utilises HPLC-MS and a constrained total-line-shape (CTLS) approach applied to (1)H NMR spectra to quantify metabolites present in onion species to reveal important inter-species differences. Extensive differences were detected between the sugar concentrations in onion species. Yellow onion contained the highest and red onion the lowest amounts of amino acids. The main flavonol-glucosides were quercetin 3,4'-diglucoside and quercetin 4'-glucoside. In general, the levels of flavonols were, higher in yellow onions than in red onions, and garlic and leek contained a lower amount of flavonols than the other Allium species. Our results highlight how (1)H NMR together with HPLC-MS can be useful in the quantification and the identification of the most abundant metabolites, representing an efficient means to pinpoint important functional food ingredients from Allium species. Copyright © 2014 Elsevier Ltd. All rights reserved.

Solution state NMR of lignins

Treesearch

John Ralph; Jane M. Marita; Sally A. Ralph; Ronald D. Hatfield; Fachuang Lu; Richard M. Ede; Junpeng Peng; Larry L. Landucci

1999-01-01

Despite the rather random and heterogeneous nature of isolated lignins, many of their intimate structural details are revealed by diagnostic NMR experiments. 13C-NMR was recognized early-on as a high-resolution method for detailed structural characterization, aided by the almost exact agreement between chemical shifts of carbons in good low-molecular...

Wide and Narrow CMEs and Their Source Explosions Observed at the Spring 2003 SOHO-Sun-Ulysses Quadrature

NASA Technical Reports Server (NTRS)

Suess, Steven; Corti, G.; Poletto, G.; Sterling, A.; Moore, R.

2006-01-01

At the time of the spring 2003 Ulysses-SOHO-Sun quadrature, Ulysses was off the East limb of the Sun at 14.5 degrees north latitude and 4.91 AU. LASCO/C2 images show small transient events that originated from near the limb on May 25, 26 and 27 in the north-east quadrant, along with a large Coronal Mass Ejection (CME) that originated from an active region near disk center on May 26. Ulysses data bear clear signatures of the large CME, specifically including an enhanced abundance of highly ionized Fe. SOHO/UVCS spectra at 1.75 solar radii, near the radial direction to Ulysses, give no evidence of emission from high temperature lines, even for the large CME: instead, for the small events, occasional transient high emission in cool lines was observed, such as the CIII 977 Angstrom line usually absent at coronal levels. Each of these events lasted ca. 1 hour or less and never affected lines from ions forming above ca. 106K. Compact eruptions in Helium 304 Angstrom EIT images, related to the small UVCS transients, were observed at the limb of the Sun over the same period. At least one of these surge events produced a narrow CME observed in LASCO/C2. Most probably all these events are compact magnetic explosions (surges/jets, from around a small island of included polarity) which ejected cool material from lower levels. Ulysses data have been analyzed to find evidence of the cool, narrow CME events, but none or little was found. This puzzling scenario, where events seen by UVCS have no in situ counterparts and vice versa, can be partially explained once the region where the large CME originated is recognized as being at the center of the solar disk so that the CME material was actually much further from the Sun than the 1.7 Rsun height of the UVCS slit off the limb. Conversely, the narrow events may simply have missed Ulysses or been too brief for reliable signatures in composition and ionization state. A basic feature demonstrated by these observations is that large

Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods

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

Bingol, Kerem

Metabolomics has made significant progress in multiple fronts in the last 18 months. This minireview aimed to give an overview of these advancements in the light of their contribution to targeted and untargeted metabolomics. New computational approaches have emerged to overcome manual absolute quantitation step of metabolites in 1D 1H NMR spectra. This provides more consistency between inter-laboratory comparisons. Integration of 2D NMR metabolomics databases under a unified web server allowed very accurate identification of the metabolites that have been catalogued in these databases. For the remaining uncatalogued and unknown metabolites, new cheminformatics approaches have been developed by combining NMRmore » and mass spectrometry. These hybrid NMR/MS approaches accelerated the identification of unknowns in untargeted studies, and now they are allowing to profile ever larger number of metabolites in application studies.« less

Use of NMR and NMR Prediction Software to Identify Components in Red Bull Energy Drinks

ERIC Educational Resources Information Center

Simpson, Andre J.; Shirzadi, Azadeh; Burrow, Timothy E.; Dicks, Andrew P.; Lefebvre, Brent; Corrin, Tricia

2009-01-01

A laboratory experiment designed as part of an upper-level undergraduate analytical chemistry course is described. Students investigate two popular soft drinks (Red Bull Energy Drink and sugar-free Red Bull Energy Drink) by NMR spectroscopy. With assistance of modern NMR prediction software they identify and quantify major components in each…

Characterization of active phosphorus surface sites at synthetic carbonate-free fluorapatite using single-pulse 1H, 31P, and 31P CP MAS NMR.

PubMed

Jarlbring, Mathias; Sandström, Dan E; Antzutkin, Oleg N; Forsling, Willis

2006-05-09

The chemically active phosphorus surface sites defined as PO(x), PO(x)H, and PO(x)H2, where x = 1, 2, or 3, and the bulk phosphorus groups of PO4(3-) at synthetic carbonate-free fluorapatite (Ca5(PO4)3F) have been studied by means of single-pulse 1H,31P, and 31P CP MAS NMR. The changes in composition and relative amounts of each surface species are evaluated as a function of pH. By combining spectra from single-pulse 1H and 31P MAS NMR and data from 31P CP MAS NMR experiments at varying contact times in the range 0.2-3.0 ms, it has been possible to distinguish between resonance lines in the NMR spectra originating from active surface sites and bulk phosphorus groups and also to assign the peaks in the NMR spectra to the specific phosphorus species. In the 31P CP MAS NMR experiments, the spinning frequency was set to 4.2 kHz; in the single-pulse 1H MAS NMR experiments, the spinning frequency was 10 kHz. The 31P CP MAS NMR spectrum of fluorapatite at pH 5.9 showed one dominating resonance line at 2.9 ppm assigned to originate from PO4(3-) groups and two weaker shoulder peaks at 5.4 and 0.8 ppm which were assigned to the unprotonated PO(x) (PO, PO2-, and PO3(2-)) and protonated PO(x)H (PO2H and PO3H-) surface sites. At pH 12.7, the intensity of the peak representing unprotonated PO(x) surface sites has increased 1.7% relative to the bulk peak, while the intensity of the peaks of the protonated species PO(x)H have decreased 1.4% relative to the bulk peak. At pH 3.5, a resonance peak at -4.5 ppm has appeared in the 31P CP MAS NMR spectrum assigned to the surface species PO(x)H2 (PO3H2). The results from the 1H MAS and 31P CP MAS NMR measurements indicated that H+, OH-, and physisorbed H2O at the surface were released during the drying process at 200 degrees C.

A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy† †Electronic supplementary information (ESI) available: Details about the methodology, LabView scripts, experimental set-ups, additional spectra and self-optimization can be found in the SI. See DOI: 10.1039/c4sc03075c Click here for additional data file.

PubMed Central

Sans, Victor; Porwol, Luzian; Dragone, Vincenza

2015-01-01

A configurable platform for synthetic chemistry incorporating an in-line benchtop NMR that is capable of monitoring and controlling organic reactions in real-time is presented. The platform is controlled via a modular LabView software control system for the hardware, NMR, data analysis and feedback optimization. Using this platform we report the real-time advanced structural characterization of reaction mixtures, including 19F, 13C, DEPT, 2D NMR spectroscopy (COSY, HSQC and 19F-COSY) for the first time. Finally, the potential of this technique is demonstrated through the optimization of a catalytic organic reaction in real-time, showing its applicability to self-optimizing systems using criteria such as stereoselectivity, multi-nuclear measurements or 2D correlations. PMID:29560211

PSYCHE Pure Shift NMR Spectroscopy.

PubMed

Foroozandeh, Mohammadali; Morris, Gareth; Nilsson, Mathias

2018-03-13

Broadband homodecoupling techniques in NMR, also known as "pure shift" methods, aim to enhance spectral resolution by suppressing the effects of homonuclear coupling interactions to turn multiplet signals into singlets. Such techniques typically work by selecting a subset of "active" nuclear spins to observe, and selectively inverting the remaining, "passive", spins to reverse the effects of coupling. Pure Shift Yielded by Chirp Excitation (PSYCHE) is one such method; it is relatively recent, but has already been successfully implemented in a range of different NMR experiments. Paradoxically, PSYCHE is one of the trickiest of pure shift NMR techniques to understand but one of the easiest to use. Here we offer some insights into theoretical and practical aspects of the method, and into the effects and importance of the experimental parameters. Some recent improvements that enhance the spectral purity of PSYCHE spectra will be presented, and some experimental frameworks including examples in 1D and 2D NMR spectroscopy, for the implementation of PSYCHE will be introduced. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Push-through Direction Injectin NMR Automation

EPA Science Inventory

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

Turboprop and rotary-wing aircraft flight parameter estimation using both narrow-band and broadband passive acoustic signal-processing methods.

PubMed

Ferguson, B G; Lo, K W

2000-10-01

Flight parameter estimation methods for an airborne acoustic source can be divided into two categories, depending on whether the narrow-band lines or the broadband component of the received signal spectrum is processed to estimate the flight parameters. This paper provides a common framework for the formulation and test of two flight parameter estimation methods: one narrow band, the other broadband. The performances of the two methods are evaluated by applying them to the same acoustic data set, which is recorded by a planar array of passive acoustic sensors during multiple transits of a turboprop fixed-wing aircraft and two types of rotary-wing aircraft. The narrow-band method, which is based on a kinematic model that assumes the source travels in a straight line at constant speed and altitude, requires time-frequency analysis of the acoustic signal received by a single sensor during each aircraft transit. The broadband method is based on the same kinematic model, but requires observing the temporal variation of the differential time of arrival of the acoustic signal at each pair of sensors that comprises the planar array. Generalized cross correlation of each pair of sensor outputs using a cross-spectral phase transform prefilter provides instantaneous estimates of the differential times of arrival of the signal as the acoustic wavefront traverses the array.

Untargeted NMR Spectroscopic Analysis of the Metabolic Variety of New Apple Cultivars

PubMed Central

Eisenmann, Philipp; Ehlers, Mona; Weinert, Christoph H.; Tzvetkova, Pavleta; Silber, Mara; Rist, Manuela J.; Luy, Burkhard; Muhle-Goll, Claudia

2016-01-01

Metabolome analyses by NMR spectroscopy can be used in quality control by generating unique fingerprints of different species. Hundreds of components and their variation between different samples can be analyzed in a few minutes/hours with high accuracy and low cost of sample preparation. Here, apple peel and pulp extracts of a variety of apple cultivars were studied to assess their suitability to discriminate between the different varieties. The cultivars comprised mainly newly bred varieties or ones that were brought onto the market in recent years. Multivariate analyses of peel and pulp extracts were able to unambiguously identify all cultivars, with peel extracts showing a higher discriminative power. The latter was increased if the highly concentrated sugar metabolites were omitted from the analysis. Whereas sugar concentrations lay within a narrow range, polyphenols, discussed as potential health promoting substances, and acids varied remarkably between the cultivars. PMID:27657148

Untargeted NMR Spectroscopic Analysis of the Metabolic Variety of New Apple Cultivars.

PubMed

Eisenmann, Philipp; Ehlers, Mona; Weinert, Christoph H; Tzvetkova, Pavleta; Silber, Mara; Rist, Manuela J; Luy, Burkhard; Muhle-Goll, Claudia

2016-09-19

Metabolome analyses by NMR spectroscopy can be used in quality control by generating unique fingerprints of different species. Hundreds of components and their variation between different samples can be analyzed in a few minutes/hours with high accuracy and low cost of sample preparation. Here, apple peel and pulp extracts of a variety of apple cultivars were studied to assess their suitability to discriminate between the different varieties. The cultivars comprised mainly newly bred varieties or ones that were brought onto the market in recent years. Multivariate analyses of peel and pulp extracts were able to unambiguously identify all cultivars, with peel extracts showing a higher discriminative power. The latter was increased if the highly concentrated sugar metabolites were omitted from the analysis. Whereas sugar concentrations lay within a narrow range, polyphenols, discussed as potential health promoting substances, and acids varied remarkably between the cultivars.

NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine.

PubMed

Bingol, Kerem; Brüschweiler, Rafael

2015-06-05

A novel metabolite identification strategy is presented for the combined NMR/MS analysis of complex metabolite mixtures. The approach first identifies metabolite candidates from 1D or 2D NMR spectra by NMR database query, which is followed by the determination of the masses (m/z) of their possible ions, adducts, fragments, and characteristic isotope distributions. The expected m/z ratios are then compared with the MS(1) spectrum for the direct assignment of those signals of the mass spectrum that contain information about the same metabolites as the NMR spectra. In this way, the mass spectrum can be assigned with very high confidence, and it provides at the same time validation of the NMR-derived metabolites. The method was first demonstrated on a model mixture, and it was then applied to human urine collected from a pool of healthy individuals. A number of metabolites could be detected that had not been reported previously, further extending the list of known urine metabolites. The new analysis approach, which is termed NMR/MS Translator, is fully automated and takes only a few seconds on a computer workstation. NMR/MS Translator synergistically uses the power of NMR and MS, enhancing the accuracy and efficiency of the identification of those metabolites compiled in databases.

Fiber-laser frequency combs for the generation of tunable single-frequency laser lines, mm- and THz-waves and sinc-shaped Nyquist pulses

NASA Astrophysics Data System (ADS)

Schneider, Thomas

2015-03-01

High-quality frequency comb sources like femtosecond-lasers have revolutionized the metrology of fundamental physical constants. The generated comb consists of frequency lines with an equidistant separation over a bandwidth of several THz. This bandwidth can be broadened further to a super-continuum of more than an octave through propagation in nonlinear media. The frequency separation between the lines is defined by the repetition rate and the width of each comb line can be below 1 Hz, even without external stabilization. By extracting just one of these lines, an ultra-narrow linewidth, tunable laser line for applications in communications and spectroscopy can be generated. If two lines are extracted, the superposition of these lines in an appropriate photo-mixer produces high-quality millimeter- and THz-waves. The extraction of several lines can be used for the creation of almost-ideally sinc-shaped Nyquist pulses, which enable optical communications with the maximum-possible baud rate. Especially combs generated by low-cost, small-footprint fs-fiber lasers are very promising. However due to the resonator length, the comb frequencies have a typical separation of 80 - 100 MHz, far too narrow for the selection of single tones with standard optical filters. Here the extraction of single lines of an fs-fiber laser by polarization pulling assisted stimulated Brillouin scattering is presented. The application of these extracted lines as ultra-narrow, stable and tunable laser lines, for the generation of very high-quality mm and THz-waves with an ultra-narrow linewidth and phase noise and for the generation of sinc-shaped Nyquist pulses with arbitrary bandwidth and repetition rate is discussed.

Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide.

PubMed

Oktaviani, Nur Alia; Risør, Michael W; Lee, Young-Ho; Megens, Rik P; de Jong, Djurre H; Otten, Renee; Scheek, Ruud M; Enghild, Jan J; Nielsen, Niels Chr; Ikegami, Takahisa; Mulder, Frans A A

2015-06-01

Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T 1 relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rationale to utilize high-spin iron(III) as the optimal transition metal for this purpose and characterize the properties of its neutral chelate form Fe(DO3A) as a suitable PRE agent. Fe(DO3A) effectively reduces the T 1 values across the entire sequence of the intrinsically disordered protein α-synuclein with negligible impact on line width. The agent is better suited than currently used alternatives, shows no specific interaction with the polypeptide chain and, due to its high relaxivity, is effective at low concentrations and in 'proton-less' NMR experiments. By using Fe(DO3A) we were able to complete the backbone resonance assignment of a highly fibrillogenic peptide from α1-antitrypsin by acquiring the necessary suite of multidimensional NMR datasets in 3 h.

Narrow Networks on the Individual Marketplace in 2017.

PubMed

Polski, Daniel; Weiner, Janet; Zhang, Yuehan

2017-09-01

This Issue Brief describes the breadth of physician networks on the ACA marketplaces in 2017. We find that the overall rate of narrow networks is 21%, which is a decline since 2014 (31%) and 2016 (25%). Narrow networks are concentrated in plans sold on state-based marketplaces, at 42%, compared to 10% of plans on federally-facilitated marketplaces. Issuers that have traditionally offered Medicaid coverage have the highest prevalence of narrow network plans at 36%, with regional/local plans and provider-based plans close behind at 27% and 30%. We also find large differences in narrow networks by state and by plan type.

Relaxation time estimation in surface NMR

DOEpatents

Grunewald, Elliot D.; Walsh, David O.

2017-03-21

NMR relaxation time estimation methods and corresponding apparatus generate two or more alternating current transmit pulses with arbitrary amplitudes, time delays, and relative phases; apply a surface NMR acquisition scheme in which initial preparatory pulses, the properties of which may be fixed across a set of multiple acquisition sequence, are transmitted at the start of each acquisition sequence and are followed by one or more depth sensitive pulses, the pulse moments of which are varied across the set of multiple acquisition sequences; and apply processing techniques in which recorded NMR response data are used to estimate NMR properties and the relaxation times T.sub.1 and T.sub.2* as a function of position as well as one-dimensional and two-dimension distributions of T.sub.1 versus T.sub.2* as a function of subsurface position.

A Vision-Aided 3D Path Teaching Method before Narrow Butt Joint Welding

PubMed Central

Zeng, Jinle; Chang, Baohua; Du, Dong; Peng, Guodong; Chang, Shuhe; Hong, Yuxiang; Wang, Li; Shan, Jiguo

2017-01-01

For better welding quality, accurate path teaching for actuators must be achieved before welding. Due to machining errors, assembly errors, deformations, etc., the actual groove position may be different from the predetermined path. Therefore, it is significant to recognize the actual groove position using machine vision methods and perform an accurate path teaching process. However, during the teaching process of a narrow butt joint, the existing machine vision methods may fail because of poor adaptability, low resolution, and lack of 3D information. This paper proposes a 3D path teaching method for narrow butt joint welding. This method obtains two kinds of visual information nearly at the same time, namely 2D pixel coordinates of the groove in uniform lighting condition and 3D point cloud data of the workpiece surface in cross-line laser lighting condition. The 3D position and pose between the welding torch and groove can be calculated after information fusion. The image resolution can reach 12.5 μm. Experiments are carried out at an actuator speed of 2300 mm/min and groove width of less than 0.1 mm. The results show that this method is suitable for groove recognition before narrow butt joint welding and can be applied in path teaching fields of 3D complex components. PMID:28492481

Characterization of Non-Innocent Metal Complexes Using Solid-State NMR Spectroscopy: o-Dioxolene Vanadium Complexes

PubMed Central

Chatterjee, Pabitra B.; Goncharov-Zapata, Olga; Quinn, Laurence L.; Hou, Guangjin; Hamaed, Hiyam; Schurko, Robert W.; Polenova, Tatyana; Crans, Debbie C.

2012-01-01

51V solid-state NMR (SSNMR) studies of a series of non-innocent vanadium(V) catechol complexes have been conducted to evaluate the possibility that 51V NMR observables, quadrupolar and chemical shift anisotropies, and electronic structures of such compounds can be used to characterize these compounds. The vanadium(V) catechol complexes described in these studies have relatively small quadrupolar coupling constants, which cover a surprisingly small range from 3.4 to 4.2 MHz. On the other hand, isotropic 51V NMR chemical shifts cover a wide range from −200 ppm to 400 ppm in solution and from −219 to 530 ppm in the solid state. A linear correlation of 51V NMR isotropic solution and solid-state chemical shifts of complexes containing non-innocent ligands is observed. These experimental results provide the information needed for the application of 51V SSNMR spectroscopy in characterizing the electronic properties of a wide variety of vanadium-containing systems, and in particular those containing non-innocent ligands and that have chemical shifts outside the populated range of −300 ppm to −700 ppm. The studies presented in this report demonstrate that the small quadrupolar couplings covering a narrow range of values reflect the symmetric electronic charge distribution, which is also similar across these complexes. These quadrupolar interaction parameters alone are not sufficient to capture the rich electronic structure of these complexes. In contrast, the chemical shift anisotropy tensor elements accessible from 51V SSNMR experiments are a highly sensitive probe of subtle differences in electronic distribution and orbital occupancy in these compounds. Quantum chemical (DFT) calculations of NMR parameters for [VO(hshed)(Cat)] yield 51V CSA tensor in reasonable agreement with the experimental results, but surprisingly, the calculated quadrupolar coupling constant is significantly greater than the experimental value. The studies demonstrate that substitution of the

NMR in the SPINE Structural Proteomics project.

PubMed

Ab, E; Atkinson, A R; Banci, L; Bertini, I; Ciofi-Baffoni, S; Brunner, K; Diercks, T; Dötsch, V; Engelke, F; Folkers, G E; Griesinger, C; Gronwald, W; Günther, U; Habeck, M; de Jong, R N; Kalbitzer, H R; Kieffer, B; Leeflang, B R; Loss, S; Luchinat, C; Marquardsen, T; Moskau, D; Neidig, K P; Nilges, M; Piccioli, M; Pierattelli, R; Rieping, W; Schippmann, T; Schwalbe, H; Travé, G; Trenner, J; Wöhnert, J; Zweckstetter, M; Kaptein, R

2006-10-01

This paper describes the developments, role and contributions of the NMR spectroscopy groups in the Structural Proteomics In Europe (SPINE) consortium. Focusing on the development of high-throughput (HTP) pipelines for NMR structure determinations of proteins, all aspects from sample preparation, data acquisition, data processing, data analysis to structure determination have been improved with respect to sensitivity, automation, speed, robustness and validation. Specific highlights are protonless (13)C-direct detection methods and inferential structure determinations (ISD). In addition to technological improvements, these methods have been applied to deliver over 60 NMR structures of proteins, among which are five that failed to crystallize. The inclusion of NMR spectroscopy in structural proteomics pipelines improves the success rate for protein structure determinations.

Unusual broad-line Mg II emitters among luminous galaxies in the baryon oscillation spectroscopic survey

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

Roig, Benjamin; Blanton, Michael R.; Ross, Nicholas P.

2014-02-01

Many classes of active galactic nuclei (AGNs) have been observed and recorded since the discovery of Seyfert galaxies. In this paper, we examine the sample of luminous galaxies in the Baryon Oscillation Spectroscopic Survey. We find a potentially new observational class of AGNs, one with strong and broad Mg II λ2799 line emission, but very weak emission in other normal indicators of AGN activity, such as the broad-line Hα, Hβ, and the near-ultraviolet AGN continuum, leading to an extreme ratio of broad Hα/Mg II flux relative to normal quasars. Meanwhile, these objects' narrow-line flux ratios reveal AGN narrow-line regions withmore » levels of activity consistent with the Mg II fluxes and in agreement with that of normal quasars. These AGN may represent an extreme case of the Baldwin effect, with very low continuum and high equivalent width relative to typical quasars, but their ratio of broad Mg II to broad Balmer emission remains very unusual. They may also be representative of a class of AGN where the central engine is observed indirectly with scattered light. These galaxies represent a small fraction of the total population of luminous galaxies (≅ 0.1%), but are more likely (about 3.5 times) to have AGN-like nuclear line emission properties than other luminous galaxies. Because Mg II is usually inaccessible for the population of nearby galaxies, there may exist a related population of broad-line Mg II emitters in the local universe which is currently classified as narrow-line emitters (Seyfert 2 galaxies) or low ionization nuclear emission-line regions.« less

Investigations of CuFeS{sub 2} semiconductor mineral from ocean rift hydrothermal vent fields by Cu NMR in a local field

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

Matukhin, V. L.; Pogoreltsev, A. I.; Gavrilenko, A. N., E-mail: ang-2000@mail.ru

The results of investigating natural samples of chalcopyrite mineral CuFeS{sub 2} from massive oceanic sulfide ores of the Mid-Atlantic ridge by the {sup 63}Cu nuclear magnetic resonance (NMR {sup 63}Cu) in a local field at room temperature are presented. The significant width of the resonance lines found in the {sup 63}Cu NMR spectrum directly testifies to a wide distribution of local magnetic and electric fields in the investigated chalcopyrite samples. This distribution can be the consequence of an appreciable deviation of the structure of the investigated chalcopyrite samples from the stoichiometric one. The obtained results show that the pulsed {supmore » 63}Cu NMR can be an efficient method for studying the physical properties of deep-water polymetallic sulfides of the World Ocean.« less

Very narrow band model calculations of atmospheric fluxes and cooling rates

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

Bernstein, L.S.; Berk, A.; Acharya, P.K.

1996-10-15

A new very narrow band model (VNBM) approach has been developed and incorporated into the MODTRAN atmospheric transmittance-radiance code. The VNBM includes a computational spectral resolution of 1 cm{sup {minus}1}, a single-line Voigt equivalent width formalism that is based on the Rodgers-Williams approximation and accounts for the finite spectral width of the interval, explicit consideration of line tails, a statistical line overlap correction, a new sublayer integration approach that treats the effect of the sublayer temperature gradient on the path radiance, and the Curtis-Godson (CG) approximation for inhomogeneous paths. A modified procedure for determining the line density parameter 1/d ismore » introduced, which reduces its magnitude. This results in a partial correction of the VNBM tendency to overestimate the interval equivalent widths. The standard two parameter CG approximation is used for H{sub 2}O and CO{sub 2}, while the Goody three parameter CG approximation is used for O{sub 3}. Atmospheric flux and cooling rate predictions using a research version of MODTRAN, MODR, are presented for H{sub 2}O (with and without the continuum), CO{sub 2}, and O{sub 3} for several model atmospheres. The effect of doubling the CO{sub 2} concentration is also considered. These calculations are compared to line-by-line (LBL) model calculations using the AER, GLA, GFDL, and GISS codes. The MODR predictions fall within the spread of the LBL results. The effects of decreasing the band model spectral resolution are illustrated using CO{sub 2} cooling rate and flux calculations. 36 refs., 18 figs., 1 tab.« less

Ring resonator based narrow-linewidth semiconductor lasers

NASA Technical Reports Server (NTRS)

Ksendzov, Alexander (Inventor)

2005-01-01

The present invention is a method and apparatus for using ring resonators to produce narrow linewidth hybrid semiconductor lasers. According to one embodiment of the present invention, the narrow linewidths are produced by combining the semiconductor gain chip with a narrow pass band external feedback element. The semi conductor laser is produced using a ring resonator which, combined with a Bragg grating, acts as the external feedback element. According to another embodiment of the present invention, the proposed integrated optics ring resonator is based on plasma enhanced chemical vapor deposition (PECVD) SiO.sub.2 /SiON/SiO.sub.2 waveguide technology.

Bayesian peak picking for NMR spectra.

PubMed

Cheng, Yichen; Gao, Xin; Liang, Faming

2014-02-01

Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein-DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method. Copyright © 2013. Production and hosting by Elsevier Ltd.

Bayesian Peak Picking for NMR Spectra

PubMed Central

Cheng, Yichen; Gao, Xin; Liang, Faming

2013-01-01

Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method. PMID:24184964

Ocular Biometrics of Myopic Eyes With Narrow Angles.

PubMed

Chong, Gabriel T; Wen, Joanne C; Su, Daniel Hsien-Wen; Stinnett, Sandra; Asrani, Sanjay

2016-02-01

The purpose of this study was to compare the ocular biometrics between myopic patients with and without narrow angles. Patients with a stable myopic refraction (myopia worse than -1.00 D spherical equivalent) were prospectively recruited. Angle status was assessed using gonioscopy and biometric measurements were performed using an anterior segment optical coherence tomography and an IOLMaster. A total of 29 patients (58 eyes) were enrolled with 13 patients (26 eyes) classified as having narrow angles and 16 patients (32 eyes) classified as having open angles. Baseline demographics of age, sex, and ethnicity did not differ significantly between the 2 groups. The patients with narrow angles were on average older than those with open angles but the difference did not reach statistical significance (P=0.12). The central anterior chamber depth was significantly less in the eyes with narrow angles (P=0.05). However, the average lens thickness, although greater in the eyes with narrow angles, did not reach statistical significance (P=0.10). Refractive error, axial lengths, and iris thicknesses did not differ significantly between the 2 groups (P=0.32, 0.47, 0.15). Narrow angles can occur in myopic eyes. Routine gonioscopy is therefore recommended for all patients regardless of refractive error.

Intramyocardial arterial narrowing in dogs with subaortic stenosis.

PubMed

Falk, T; Jönsson, L; Pedersen, H D

2004-09-01

Earlier studies have described intramyocardial arterial narrowing based on hyperplasia and hypertrophy of the vessel wall in dogs with subaortic stenosis (SAS). In theory, such changes might increase the risk of sudden death, as they seem to do in heart disease in other species. This retrospective pathological study describes and quantifies intramyocardial arterial narrowing in 44 dogs with naturally occurring SAS and in eight control dogs. The majority of the dogs with SAS died suddenly (n=27); nine had died or been euthanased with signs of heart failure and eight were euthanased without clinical signs. Dogs with SAS had significantly narrower intramyocardial arteries (P<0.001) and more myocardial fibrosis (P<0.001) than control dogs. Male dogs and those with more severe hypertrophy had more vessel narrowing (P=0.02 and P=0.02, respectively), whereas dogs with dilated hearts had slightly less pronounced arterial thickening (P=0.01). Arterial narrowing was not related to age, but fibrosis increased with age (P=0.047). Dogs that died suddenly did not have a greater number of arterial changes than other dogs with SAS. This study suggests that most dogs with SAS have intramyocardial arterial narrowing and that the risk of dying suddenly is not significantly related to the overall degree of vessel obliteration.

JET PROPERTIES OF GeV-SELECTED RADIO-LOUD NARROW-LINE SEYFERT 1 GALAXIES AND POSSIBLE CONNECTION TO THEIR DISK AND CORONA

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

Sun, Xiao-Na; Lin, Da-Bin; Liang, En-Wei

The observed spectral energy distributions of five GeV-selected narrow-line Seyfert 1 (NLS1) galaxies are fitted with a model including the radiation ingredients from the relativistic jet, the accretion disk, and the corona. We compare the properties of these GeV NLS1 galaxies with flat spectrum radio quasars (FSRQs), BL Lacertae objects (BL Lacs), and radio-quiet (RQ) Seyfert galaxies, and explore possible hints for jet-disk/corona connection. Our results show that the radiation physics and the jet properties of the GeV NLS1 galaxies resemble that of FSRQs. The luminosity variations of PMN J0948+0022 and 1H 0323+342 at the GeV band is tightly correlatedmore » with the beaming factor (δ), similar to that observed in FSRQ 3C 279. The accretion disk luminosities and the jet powers of the GeV NLS1 galaxies cover both the ranges of FSRQs and BL Lacs. With the detection of bright corona emission in 1H 0323+342, we show that the ratio of the corona luminosity (L {sub corona}) to the accretion disk luminosity (L {sub d}) is marginally within the high end of this ratio distribution for an RQ Seyfert galaxy sample, and the variation of jet luminosity may connect with L {sub corona}. However, it is still unclear whether a system with a high L {sub corona}/L {sub d} ratio prefers to power a jet.« less

FBQS J1644+2619: multiwavelength properties and its place in the class of γ-ray emitting Narrow Line Seyfert 1s

NASA Astrophysics Data System (ADS)

Larsson, J.; D'Ammando, F.; Falocco, S.; Giroletti, M.; Orienti, M.; Piconcelli, E.; Righini, S.

2018-05-01

A small fraction of Narrow Line Seyfert 1s (NLSy1s) are observed to be γ-ray emitters. Understanding the properties of these sources is of interest since the majority of NLSy1s are very different from typical blazars. Here, we present a multifrequency analysis of FBQS J1644+2619, one of the most recently discovered γ-ray emitting NLSy1s. We analyse an ˜80 ks XMM-Newton observation obtained in 2017, as well as quasi-simultaneous multiwavelength observations covering the radio-γ-ray range. The spectral energy distribution of the source is similar to the other γ-ray NLSy1s, confirming its blazar-like nature. The X-ray spectrum is characterized by a hard photon index (Γ = 1.66) above 2 keV and a soft excess at lower energies. The hard photon index provides clear evidence that inverse Compton emission from the jet dominates the spectrum, while the soft excess can be explained by a contribution from the underlying Seyfert emission. This contribution can be fitted by reflection of emission from the base of the jet, as well as by Comptonization in a warm, optically thick corona. We discuss our results in the context of the other γ-ray NLSy1s and note that the majority of them have similar X-ray spectra, with properties intermediate between blazars and radio-quiet NLSy1s.

Optimized slice-selective 1H NMR experiments combined with highly accurate quantitative 13C NMR using an internal reference method.

PubMed

Jézéquel, Tangi; Silvestre, Virginie; Dinis, Katy; Giraudeau, Patrick; Akoka, Serge

2018-04-01

Isotope ratio monitoring by 13 C NMR spectrometry (irm- 13 C NMR) provides the complete 13 C intramolecular position-specific composition at natural abundance. It represents a powerful tool to track the (bio)chemical pathway which has led to the synthesis of targeted molecules, since it allows Position-specific Isotope Analysis (PSIA). Due to the very small composition range (which represents the range of variation of the isotopic composition of a given nuclei) of 13 C natural abundance values (50‰), irm- 13 C NMR requires a 1‰ accuracy and thus highly quantitative analysis by 13 C NMR. Until now, the conventional strategy to determine the position-specific abundance x i relies on the combination of irm-MS (isotopic ratio monitoring Mass Spectrometry) and 13 C quantitative NMR. However this approach presents a serious drawback since it relies on two different techniques and requires to measure separately the signal of all the carbons of the analyzed compound, which is not always possible. To circumvent this constraint, we recently proposed a new methodology to perform 13 C isotopic analysis using an internal reference method and relying on NMR only. The method combines a highly quantitative 1 H NMR pulse sequence (named DWET) with a 13 C isotopic NMR measurement. However, the recently published DWET sequence is unsuited for samples with short T 1 , which forms a serious limitation for irm- 13 C NMR experiments where a relaxing agent is added. In this context, we suggest two variants of the DWET called Multi-WET and Profiled-WET, developed and optimized to reach the same accuracy of 1‰ with a better immunity towards T 1 variations. Their performance is evaluated on the determination of the 13 C isotopic profile of vanillin. Both pulse sequences show a 1‰ accuracy with an increased robustness to pulse miscalibrations compared to the initial DWET method. This constitutes a major advance in the context of irm- 13 C NMR since it is now possible to perform

Optimized slice-selective 1H NMR experiments combined with highly accurate quantitative 13C NMR using an internal reference method

NASA Astrophysics Data System (ADS)

Jézéquel, Tangi; Silvestre, Virginie; Dinis, Katy; Giraudeau, Patrick; Akoka, Serge

2018-04-01

Isotope ratio monitoring by 13C NMR spectrometry (irm-13C NMR) provides the complete 13C intramolecular position-specific composition at natural abundance. It represents a powerful tool to track the (bio)chemical pathway which has led to the synthesis of targeted molecules, since it allows Position-specific Isotope Analysis (PSIA). Due to the very small composition range (which represents the range of variation of the isotopic composition of a given nuclei) of 13C natural abundance values (50‰), irm-13C NMR requires a 1‰ accuracy and thus highly quantitative analysis by 13C NMR. Until now, the conventional strategy to determine the position-specific abundance xi relies on the combination of irm-MS (isotopic ratio monitoring Mass Spectrometry) and 13C quantitative NMR. However this approach presents a serious drawback since it relies on two different techniques and requires to measure separately the signal of all the carbons of the analyzed compound, which is not always possible. To circumvent this constraint, we recently proposed a new methodology to perform 13C isotopic analysis using an internal reference method and relying on NMR only. The method combines a highly quantitative 1H NMR pulse sequence (named DWET) with a 13C isotopic NMR measurement. However, the recently published DWET sequence is unsuited for samples with short T1, which forms a serious limitation for irm-13C NMR experiments where a relaxing agent is added. In this context, we suggest two variants of the DWET called Multi-WET and Profiled-WET, developed and optimized to reach the same accuracy of 1‰ with a better immunity towards T1 variations. Their performance is evaluated on the determination of the 13C isotopic profile of vanillin. Both pulse sequences show a 1‰ accuracy with an increased robustness to pulse miscalibrations compared to the initial DWET method. This constitutes a major advance in the context of irm-13C NMR since it is now possible to perform isotopic analysis with high

Observation of NMR noise from solid samples.

PubMed

Schlagnitweit, Judith; Dumez, Jean-Nicolas; Nausner, Martin; Jerschow, Alexej; Elena-Herrmann, Bénédicte; Müller, Norbert

2010-11-01

We demonstrate that proton NMR noise signals, i.e. NMR spectra without excitation by radio frequency, can be obtained from solid samples. Experimental results are shown for static and magic-angle spinning conditions. In addition, a tuning procedure based on the probes' NMR noise characteristics and similar to the one described previously for liquids probes can also be used to optimize signal-to-noise ratios in ¹H-MAS experiments. Copyright © 2010 Elsevier Inc. All rights reserved.

Contact replacement for NMR resonance assignment.

PubMed

Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

2008-07-01

Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

NMR characterization of thin films

DOEpatents

Gerald II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

2010-06-15

A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

Multispectral Analysis of NMR Imagery

NASA Technical Reports Server (NTRS)

Butterfield, R. L.; Vannier, M. W. And Associates; Jordan, D.

1985-01-01

Conference paper discusses initial efforts to adapt multispectral satellite-image analysis to nuclear magnetic resonance (NMR) scans of human body. Flexibility of these techniques makes it possible to present NMR data in variety of formats, including pseudocolor composite images of pathological internal features. Techniques do not have to be greatly modified from form in which used to produce satellite maps of such Earth features as water, rock, or foliage.

NMR characterization of thin films

DOEpatents

Gerald, II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

2008-11-25

A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

Software Library for Bruker TopSpin NMR Data Files

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

A software library for parsing and manipulating frequency-domain data files that have been processed using the Bruker TopSpin NMR software package. In the context of NMR, the term "processed" indicates that the end-user of the Bruker TopSpin NMR software package has (a) Fourier transformed the raw, time-domain data (the Free Induction Decay) into the frequency-domain and (b) has extracted the list of NMR peaks.

NMR spectroscopy of experimentally shocked single crystal quartz: A reexamination of the NMR shock barometer

NASA Technical Reports Server (NTRS)

Fiske, P. S.; Gratz, A. J.; Nellis, W. J.

1993-01-01

Cygan and others report a broadening of the Si-29 nuclear magnetic resonance (NMR) peak for synthetic quartz powders with increasing shock pressure which they propose as a shock wave barometer for natural systems. These results are expanded by studying single crystal quartz shocked to 12 and 33 GPa using the 6.5 m two-stage light-gas gun at Lawrence Livermore National Laboratories. Our NMR results differ substantially from those of Cygan and others and suggest that the proposed shock wave barometer may require refinement. The difference in results between this study and that of Cygan and others is most likely caused by different starting materials (single crystal vs. powder) and different shock loading histories. NMR results from single crystal studies may be more applicable to natural systems.

Evaluating Possible Heating Mechanisms Using the Transition Region Line Profiles of Late-Type Stars

NASA Technical Reports Server (NTRS)

Wood, Brian E.; Linsky, Jeffrey L.; Ayres, Thomas R.

1997-01-01

Our analysis of high-resolution Goddard High-Resolution Spectrograph (GHRS) spectra of late-type stars shows that the Si IV and C IV lines formed near 10(exp 5) K can be decomposed into the sum of two Gaussians, a broad component and a narrow component. We find that the flux contribution of the broad components is correlated with both the C IV and X-ray surface fluxes. For main-sequence stars, the widths of the narrow components suggest subsonic nonthermal velocities, and there appears to be a tight correlation between these nonthermal velocities and stellar surface gravity [xi(sub nc) varies as g(sup (-.68 +/-.07))]. For evolved stars with lower surface gravities, the nonthermal velocities suggested by the narrow components are at or just above the sound speed. Nonthermal velocities computed from the widths of the broad components are always highly supersonic. We propose that the broad components are diagnostics for microflare heating. Turbulent dissipation and Alfven waves are both viable candidates for the narrow component heating mechanism. A solar analog for the broad components might be the 'explosive events' detected by the High-Resolution Telescope and Spectrograph (HRTS) experiment. The broad component we observe for the Si IV lambda 1394 line of alpha Cen A, a star that is nearly identical to the Sun, has a FWHM of 109 +/- 10 km/s and is blueshifted by 9 +/- 3 km/s relative to the narrow component. Both of these properties are consistent with the properties of the solar explosive events. However, the alpha Cen A broad component accounts for 25% +/- 4% of the total Si IV line flux, while solar explosive events are currently thought to account for no more than 5% of the Sun's total transition region emission. This discrepancy must be resolved before the connection between broad components and explosive events can be positively established. In addition to our analysis of the Si IV and C IV lines of many stars, we also provide a more thorough analysis of all

Observations of Hall Reconnection Physics Far Downstream of the X Line.

PubMed

Mistry, R; Eastwood, J P; Haggerty, C C; Shay, M A; Phan, T D; Hietala, H; Cassak, P A

2016-10-28

Observations made using the Wind spacecraft of Hall magnetic fields in solar wind reconnection exhausts are presented. These observations are consistent with the generation of Hall fields by a narrow ion inertial scale current layer near the separatrix, which is confirmed with an appropriately scaled particle-in-cell simulation that shows excellent agreement with observations. The Hall fields are observed thousands of ion inertial lengths downstream from the reconnection X line, indicating that narrow regions of kinetic dynamics can persist extremely far downstream.

Thermal heterogeneity within aqueous materials quantified by 1H NMR spectroscopy: Multiparametric validation in silico and in vitro

NASA Astrophysics Data System (ADS)

Lutz, Norbert W.; Bernard, Monique

2018-02-01

We recently suggested a new paradigm for statistical analysis of thermal heterogeneity in (semi-)aqueous materials by 1H NMR spectroscopy, using water as a temperature probe. Here, we present a comprehensive in silico and in vitro validation that demonstrates the ability of this new technique to provide accurate quantitative parameters characterizing the statistical distribution of temperature values in a volume of (semi-)aqueous matter. First, line shape parameters of numerically simulated water 1H NMR spectra are systematically varied to study a range of mathematically well-defined temperature distributions. Then, corresponding models based on measured 1H NMR spectra of agarose gel are analyzed. In addition, dedicated samples based on hydrogels or biological tissue are designed to produce temperature gradients changing over time, and dynamic NMR spectroscopy is employed to analyze the resulting temperature profiles at sub-second temporal resolution. Accuracy and consistency of the previously introduced statistical descriptors of temperature heterogeneity are determined: weighted median and mean temperature, standard deviation, temperature range, temperature mode(s), kurtosis, skewness, entropy, and relative areas under temperature curves. Potential and limitations of this method for quantitative analysis of thermal heterogeneity in (semi-)aqueous materials are discussed in view of prospective applications in materials science as well as biology and medicine.

Polymeric proanthocyanidins 13C NMR studies of procyanidins

Treesearch

Lawrence J. Porter; Roger H. Newman; Lai Yeap Foo; Herbert Wong; Richard W. Hemingway

1982-01-01

Proanthocyanidin polymers have been shown to consist entirely of flavan-3-ol units by a combination of techniques including 13C n.m.r. spectroscopy. The 13C n.m.r. spectra of the polymers and related molecules are now considered in more detail. Prior to this study UC n.m.r. data has been published of procyanidins and...

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.

NMR studies of protein-nucleic acid interactions.

PubMed

Varani, Gabriele; Chen, Yu; Leeper, Thomas C

2004-01-01

Protein-DNA and protein-RNA complexes play key functional roles in every living organism. Therefore, the elucidation of their structure and dynamics is an important goal of structural and molecular biology. Nuclear magnetic resonance (NMR) studies of protein and nucleic acid complexes have common features with studies of protein-protein complexes: the interaction surfaces between the molecules must be carefully delineated, the relative orientation of the two species needs to be accurately and precisely determined, and close intermolecular contacts defined by nuclear Overhauser effects (NOEs) must be obtained. However, differences in NMR properties (e.g., chemical shifts) and biosynthetic pathways for sample productions generate important differences. Chemical shift differences between the protein and nucleic acid resonances can aid the NMR structure determination process; however, the relatively limited dispersion of the RNA ribose resonances makes the process of assigning intermolecular NOEs more difficult. The analysis of the resulting structures requires computational tools unique to nucleic acid interactions. This chapter summarizes the most important elements of the structure determination by NMR of protein-nucleic acid complexes and their analysis. The main emphasis is on recent developments (e.g., residual dipolar couplings and new Web-based analysis tools) that have facilitated NMR studies of these complexes and expanded the type of biological problems to which NMR techniques of structural elucidation can now be applied.

Coil extensions improve line shapes by removing field distortions

NASA Astrophysics Data System (ADS)

Conradi, Mark S.; Altobelli, Stephen A.; McDowell, Andrew F.

2018-06-01

The static magnetic susceptibility of the rf coil can substantially distort the field B0 and be a dominant source of line broadening. A scaling argument shows that this may be a particular problem in microcoil NMR. We propose coil extensions to reduce the distortion. The actual rf coil is extended to a much longer overall length by abutted coil segments that do not carry rf current. The result is a long and nearly uniform sheath of copper wire, in terms of the static susceptibility. The line shape improvement is demonstrated at 43.9 MHz and in simulation calculations.

NMR-Fragment Based Virtual Screening: A Brief Overview.

PubMed

Singh, Meenakshi; Tam, Benjamin; Akabayov, Barak

2018-01-25

Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD.

Fluid-Rock Characterization and Interactions in NMR Well Logging

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

George J. Hirasaki; Kishore K. Mohanty

2005-09-05

The objective of this report is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity. Oil based drilling fluids can have an adverse effect on NMR well logging if it alters the wettability of the formation. The effect of various surfactants on wettability and surface relaxivity are evaluated for silicamore » sand. The relation between the relaxation time and diffusivity distinguishes the response of brine, oil, and gas in a NMR well log. A new NMR pulse sequence in the presence of a field gradient and a new inversion technique enables the T{sub 2} and diffusivity distributions to be displayed as a two-dimensional map. The objectives of pore morphology and rock characterization are to identify vug connectivity by using X-ray CT scan, and to improve NMR permeability correlation. Improved estimation of permeability from NMR response is possible by using estimated tortuosity as a parameter to interpolate between two existing permeability models.« less

Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy.

PubMed

Konuma, Tsuyoshi; Harada, Erisa; Sugase, Kenji

2015-12-01

Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

NMR investigations of molecular dynamics

NASA Astrophysics Data System (ADS)

Palmer, Arthur

2011-03-01

NMR spectroscopy is a powerful experimental approach for characterizing protein conformational dynamics on multiple time scales. The insights obtained from NMR studies are complemented and by molecular dynamics (MD) simulations, which provide full atomistic details of protein dynamics. Homologous mesophilic (E. coli) and thermophilic (T. thermophilus) ribonuclease H (RNase H) enzymes serve to illustrate how changes in protein sequence and structure that affect conformational dynamic processes can be monitored and characterized by joint analysis of NMR spectroscopy and MD simulations. A Gly residue inserted within a putative hinge between helices B and C is conserved among thermophilic RNases H, but absent in mesophilic RNases H. Experimental spin relaxation measurements show that the dynamic properties of T. thermophilus RNase H are recapitulated in E. coli RNase H by insertion of a Gly residue between helices B and C. Additional specific intramolecular interactions that modulate backbone and sidechain dynamical properties of the Gly-rich loop and of the conserved Trp residue flanking the Gly insertion site have been identified using MD simulations and subsequently confirmed by NMR spin relaxation measurements. These results emphasize the importance of hydrogen bonds and local steric interactions in restricting conformational fluctuations, and the absence of such interactions in allowing conformational adaptation to substrate binding.

Theoretical NMR correlations based Structure Discussion.

PubMed

Junker, Jochen

2011-07-28

The constitutional assignment of natural products by NMR spectroscopy is usually based on 2D NMR experiments like COSY, HSQC, and HMBC. The actual difficulty of the structure elucidation problem depends more on the type of the investigated molecule than on its size. The moment HMBC data is involved in the process or a large number of heteroatoms is present, a possibility of multiple solutions fitting the same data set exists. A structure elucidation software can be used to find such alternative constitutional assignments and help in the discussion in order to find the correct solution. But this is rarely done. This article describes the use of theoretical NMR correlation data in the structure elucidation process with WEBCOCON, not for the initial constitutional assignments, but to define how well a suggested molecule could have been described by NMR correlation data. The results of this analysis can be used to decide on further steps needed to assure the correctness of the structural assignment. As first step the analysis of the deviation of carbon chemical shifts is performed, comparing chemical shifts predicted for each possible solution with the experimental data. The application of this technique to three well known compounds is shown. Using NMR correlation data alone for the description of the constitutions is not always enough, even when including 13C chemical shift prediction.

Theoretical Modeling of (99)Tc NMR Chemical Shifts.

PubMed

Hall, Gabriel B; Andersen, Amity; Washton, Nancy M; Chatterjee, Sayandev; Levitskaia, Tatiana G

2016-09-06

Technetium-99 (Tc) displays a rich chemistry due to its wide range of accessible oxidation states (from -I to +VII) and ability to form coordination compounds. Determination of Tc speciation in complex mixtures is a major challenge, and (99)Tc nuclear magnetic resonance (NMR) spectroscopy is widely used to probe chemical environments of Tc in odd oxidation states. However, interpretation of (99)Tc NMR data is hindered by the lack of reference compounds. Density functional theory (DFT) calculations can help to fill this gap, but to date few computational studies have focused on (99)Tc NMR of compounds and complexes. This work evaluates the effectiveness of both pure generalized gradient approximation and their corresponding hybrid functionals, both with and without the inclusion of scalar relativistic effects, to model the (99)Tc NMR spectra of Tc(I) carbonyl compounds. With the exception of BLYP, which performed exceptionally well overall, hybrid functionals with inclusion of scalar relativistic effects are found to be necessary to accurately calculate (99)Tc NMR spectra. The computational method developed was used to tentatively assign an experimentally observed (99)Tc NMR peak at -1204 ppm to fac-Tc(CO)3(OH)3(2-). This study examines the effectiveness of DFT computations for interpretation of the (99)Tc NMR spectra of Tc(I) coordination compounds in high salt alkaline solutions.

Ramped-Amplitude Cross Polarization in Magic-Angle-Spinning NMR

NASA Astrophysics Data System (ADS)

Metz, G.; Wu, X. L.; Smith, S. O.

The Hartmann-Hahn matching profile in CP-MAS NMR shows a strong mismatch dependence if the MAS frequency is on the order of the dipolar couplings in the sample. Under these conditions, the profile breaks down into a series of narrow matching bands separated by the spinning speed, and it becomes difficult to establish and maintain an efficient matching condition. Variable-amplitude CP (VACP), as introduced previously (Peersen et al., J. Magn. Reson. A104, 334, 1993), has been proven to be effective for restoring flat profiles at high spinning speeds. Here, a refined implementation of VACP using a ramped-amplitude cross-polarization sequence (RAMP-CP) is described. The order of the amplitude modulation is shown to be of importance for the cross-polarization process. The new pulse sequence with a linear amplitude ramp is not only easier to set up but also improves the performance of the variable-amplitude experiment in that it produces flat profiles over a wider range of matching conditions even with short total contact times. An increase in signal intensity is obtained compared to both con ventional CP and the originally proposed VACP sequence.

The NMR phased array.

PubMed

Roemer, P B; Edelstein, W A; Hayes, C E; Souza, S P; Mueller, O M

1990-11-01

We describe methods for simultaneously acquiring and subsequently combining data from a multitude of closely positioned NMR receiving coils. The approach is conceptually similar to phased array radar and ultrasound and hence we call our techniques the "NMR phased array." The NMR phased array offers the signal-to-noise ratio (SNR) and resolution of a small surface coil over fields-of-view (FOV) normally associated with body imaging with no increase in imaging time. The NMR phased array can be applied to both imaging and spectroscopy for all pulse sequences. The problematic interactions among nearby surface coils is eliminated (a) by overlapping adjacent coils to give zero mutual inductance, hence zero interaction, and (b) by attaching low input impedance preamplifiers to all coils, thus eliminating interference among next nearest and more distant neighbors. We derive an algorithm for combining the data from the phased array elements to yield an image with optimum SNR. Other techniques which are easier to implement at the cost of lower SNR are explored. Phased array imaging is demonstrated with high resolution (512 x 512, 48-cm FOV, and 32-cm FOV) spin-echo images of the thoracic and lumbar spine. Data were acquired from four-element linear spine arrays, the first made of 12-cm square coils and the second made of 8-cm square coils. When compared with images from a single 15 x 30-cm rectangular coil and identical imaging parameters, the phased array yields a 2X and 3X higher SNR at the depth of the spine (approximately 7 cm).

Autonomous driving in NMR.

PubMed

Perez, Manuel

2017-01-01

The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and automation have opened new research areas to NMR and increased the throughput of data. Full automatic analysis is a worthy, albeit hard, challenge, but in a world of artificial intelligence, instant communication and big data, it seems that this particular fight is happening with only one technique at a time (let this be NMR, MS, IR, UV or any other), when the reality of most laboratories is that there are several types of analytical instrumentation present. Data aggregation, verification and elucidation by using complementary techniques (e.g. MS and NMR) is a desirable outcome to pursue, although a time-consuming one if performed manually; hence, the use of automation to perform the heavy lifting for users is required to make the approach attractive for scientists. Many of the decisions and workflows that could be implemented under automation will depend on the two-way communication with databases that understand analytical data, because it is desirable not only to query these databases but also to grow them in as much of an automatic manner as possible. How these databases are designed, set up and the data inside classified will determine what workflows can be implemented. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Combined chemometric analysis of (1)H NMR, (13)C NMR and stable isotope data to differentiate organic and conventional milk.

PubMed

Erich, Sarah; Schill, Sandra; Annweiler, Eva; Waiblinger, Hans-Ulrich; Kuballa, Thomas; Lachenmeier, Dirk W; Monakhova, Yulia B

2015-12-01

The increased sales of organically produced food create a strong need for analytical methods, which could authenticate organic and conventional products. Combined chemometric analysis of (1)H NMR-, (13)C NMR-spectroscopy data, stable-isotope data (IRMS) and α-linolenic acid content (gas chromatography) was used to differentiate organic and conventional milk. In total 85 raw, pasteurized and ultra-heat treated (UHT) milk samples (52 organic and 33 conventional) were collected between August 2013 and May 2014. The carbon isotope ratios of milk protein and milk fat as well as the α-linolenic acid content of these samples were determined. Additionally, the milk fat was analyzed by (1)H and (13)C NMR spectroscopy. The chemometric analysis of combined data (IRMS, GC, NMR) resulted in more precise authentication of German raw and retail milk with a considerably increased classification rate of 95% compared to 81% for NMR and 90% for IRMS using linear discriminate analysis. Copyright © 2015 Elsevier Ltd. All rights reserved.

Application of comprehensive NMR-based analysis strategy in annotation, isolation and structure elucidation of low molecular weight metabolites of Ricinus communis seeds.

PubMed

Vučković, Ivan; Rapinoja, Marja-Leena; Vaismaa, Matti; Vanninen, Paula; Koskela, Harri

2016-01-01

Powder-like extract of Ricinus communis seeds contain a toxic protein, ricin, which has a history of military, criminal and terroristic use. As the detection of ricin in this "terrorist powder" is difficult and time-consuming, related low mass metabolites have been suggested to be useful for screening as biomarkers of ricin. To apply a comprehensive NMR-based analysis strategy for annotation, isolation and structure elucidation of low molecular weight plant metabolites of Ricinus communis seeds. The seed extract was prepared with a well-known acetone extraction approach. The common metabolites were annotated from seed extract dissolved in acidic solution using (1)H NMR spectroscopy with spectrum library comparison and standard addition, whereas unconfirmed metabolites were identified using multi-step off-line HPLC-DAD-NMR approach. In addition to the common plant metabolites, two previously unreported compounds, 1,3-digalactoinositol and ricinyl-alanine, were identified with support of MS analyses. The applied comprehensive NMR-based analysis strategy provided identification of the prominent low molecular weight metabolites with high confidence. Copyright © 2015 John Wiley & Sons, Ltd.

Narrow-linewidth Q-switched random distributed feedback fiber laser.

PubMed

Xu, Jiangming; Ye, Jun; Xiao, Hu; Leng, Jinyong; Wu, Jian; Zhang, Hanwei; Zhou, Pu

2016-08-22

A narrow-linewidth Q-switched random fiber laser (RFL) based on a half-opened cavity, which is realized by narrow-linewidth fiber Bragg grating (FBG) and a section of 3 km passive fiber, has been proposed and experimentally investigated. The narrow-linewidth lasing is generated by the spectral filtering of three FBGs with linewidth of 1.21 nm, 0.56 nm, and 0.12 nm, respectively. The Q switching of the distributed cavity is achieved by placing an acousto-optical modulator (AOM) between the FBG and the passive fiber. The maximal output powers of the narrow-linewidth RFLs with the three different FBGs are 0.54 W, 0.27 W, and 0.08 W, respectively. Furthermore, the repetition rates of the output pulses are 500 kHz, and the pulse durations are about 500 ns. The corresponding pulse energies are about 1.08 μJ, 0.54 μJ, and 0.16 μJ, accordingly. The linewidth of FBG can influence the output characteristics in full scale. The narrower the FBG, the higher the pump threshold; the lower the output power at the same pump level, the more serious the linewidth broadening; and thus the higher the proportion of the CW-ground exists in the output pulse trains. Thanks to the assistance of the band-pass filter (BPF), the proportion of the CW-ground of narrow-linewidth Q-switched RFL under the relative high-pump-low-output condition can be reduced effectively. The experimental results indicate that it is challenging to demonstrate a narrow-linewidth Q-switched RFL with high quality output. But further power scaling and linewidth narrowing is possible in the case of operating parameters, optimization efforts, and a more powerful pump source. To the best of our knowledge, this is the first demonstration of narrow-linewidth generation in a Q-switched RFL.

PepsNMR for 1H NMR metabolomic data pre-processing.

PubMed

Martin, Manon; Legat, Benoît; Leenders, Justine; Vanwinsberghe, Julien; Rousseau, Réjane; Boulanger, Bruno; Eilers, Paul H C; De Tullio, Pascal; Govaerts, Bernadette

2018-08-17

In the analysis of biological samples, control over experimental design and data acquisition procedures alone cannot ensure well-conditioned 1 H NMR spectra with maximal information recovery for data analysis. A third major element affects the accuracy and robustness of results: the data pre-processing/pre-treatment for which not enough attention is usually devoted, in particular in metabolomic studies. The usual approach is to use proprietary software provided by the analytical instruments' manufacturers to conduct the entire pre-processing strategy. This widespread practice has a number of advantages such as a user-friendly interface with graphical facilities, but it involves non-negligible drawbacks: a lack of methodological information and automation, a dependency of subjective human choices, only standard processing possibilities and an absence of objective quality criteria to evaluate pre-processing quality. This paper introduces PepsNMR to meet these needs, an R package dedicated to the whole processing chain prior to multivariate data analysis, including, among other tools, solvent signal suppression, internal calibration, phase, baseline and misalignment corrections, bucketing and normalisation. Methodological aspects are discussed and the package is compared to the gold standard procedure with two metabolomic case studies. The use of PepsNMR on these data shows better information recovery and predictive power based on objective and quantitative quality criteria. Other key assets of the package are workflow processing speed, reproducibility, reporting and flexibility, graphical outputs and documented routines. Copyright © 2018 Elsevier B.V. All rights reserved.

Infants Experience Perceptual Narrowing for Nonprimate Faces

ERIC Educational Resources Information Center

Simpson, Elizabeth A.; Varga, Krisztina; Frick, Janet E.; Fragaszy, Dorothy

2011-01-01

Perceptual narrowing--a phenomenon in which perception is broad from birth, but narrows as a function of experience--has previously been tested with primate faces. In the first 6 months of life, infants can discriminate among individual human and monkey faces. Though the ability to discriminate monkey faces is lost after about 9 months, infants…

NMR at pressures up to 90 GPa.

PubMed

Meier, Thomas; Khandarkhaeva, Saiana; Petitgirard, Sylvain; Körber, Thomas; Lauerer, Alexander; Rössler, Ernst; Dubrovinsky, Leonid

2018-05-14

The past 15 years have seen an astonishing increase in Nuclear Magnetic Resonance (NMR) sensitivity and accessible pressure range in high-pressure NMR experiments, owing to a series of new developments of NMR spectroscopy applied to the diamond anvil cell (DAC). Recently, with the application of electro-magnetic lenses, so-called Lenz lenses, in toroidal diamond indenter cells, pressures of up to 72 GPa with NMR spin sensitivities of about 10 12  spin/Hz 1/2 has been achieved. Here, we describe the implementation of a refined NMR resonator structure using a pair of double stage Lenz lenses driven by a Helmholtz coil within a standard DAC, allowing to measure sample volumes as small as 100 pl prior to compression. With this set-up, pressures close to 100 GPa could be realised repeatedly, with enhanced spin sensitivities of about 5 × 10 11 spin/Hz 1/2 . The manufacturing and handling of these new NMR-DACs is relatively easy and straightforward, which will allow for further applications in physics, chemistry, or biochemistry. Copyright © 2018 Elsevier Inc. All rights reserved.

An Inversion Recovery NMR Kinetics Experiment

ERIC Educational Resources Information Center

Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

2011-01-01

A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

Studies of organic paint binders by NMR spectroscopy

NASA Astrophysics Data System (ADS)

Spyros, A.; Anglos, D.

2006-06-01

Nuclear magnetic resonance spectroscopy is applied to the study of aged binding media used in paintings, namely linseed oil, egg tempera and an acrylic medium. High resolution 1D and 2D NMR experiments establish the state of hydrolysis and oxidation of the linseed and egg tempera binders after five years of aging, by determining several markers sensitive to the hydrolytic and oxidative processes of the binder lipid fraction. The composition of the acrylic binder co-polymer is determined by 2D NMR spectroscopy, while the identification of a surfactant, poly(ethylene glycol), found in greater amounts in aged acrylic medium, is reported. The non-destructive nature of the proposed analytical NMR methodology, and minimization of the amount of binder material needed through the use of sophisticated cryoprobes and hyphenated LC-NMR techniques, make NMR attractive for the arts analyst, in view of its rapid nature and experimental simplicity.

Balmer line profiles for infalling T Tauri envelopes

NASA Technical Reports Server (NTRS)

Calvet, Nuria; Hartmann, Lee

1992-01-01

The possibility that the Balmer emission lines of T Tauri stars arise in infalling envelopes rather than winds is considered. Line profiles for the upper Balmer lines are presented for models with cone geometry, intended to simulate the basic features of magnetospheric accretion from a circumstellar disk. An escape probability treatment is used to determine line source functions in nonspherically symmetric geometry. Thermalization effects are found to produce nearly symmetric H-alpha line profiles at the same time the higher Balmer series lines exhibit inverse P Cygni profiles. The infall models produce centrally peaked emission line wings, in good agreement with observations of many T Tauri stars. It is suggested that the Balmer emission of many T Tauri stars may be produced in an infalling envelope, with blue shifted absorption contributed by an overlying wind. Some of the observed narrow absorption components with small blueshifts may also arise in the accretion column.

Advanced solid-state NMR spectroscopy of natural organic matter.

PubMed

Mao, Jingdong; Cao, Xiaoyan; Olk, Dan C; Chu, Wenying; Schmidt-Rohr, Klaus

2017-05-01

Solid-state NMR is essential for the characterization of natural organic matter (NOM) and is gaining importance in geosciences and environmental sciences. This review is intended to highlight advanced solid-state NMR techniques, especially a systematic approach to NOM characterization, and their applications to the study of NOM. We discuss some basics of how to acquire high-quality and quantitative solid-state 13 C NMR spectra, and address some common technical mistakes that lead to unreliable spectra of NOM. The identification of specific functional groups in NOM, primarily based on 13 C spectral-editing techniques, is described and the theoretical background of some recently-developed spectral-editing techniques is provided. Applications of solid-state NMR to investigating nitrogen (N) in NOM are described, focusing on limitations of the widely used 15 N CP/MAS experiment and the potential of improved advanced NMR techniques for characterizing N forms in NOM. Then techniques used for identifying proximities, heterogeneities and domains are reviewed, and some examples provided. In addition, NMR techniques for studying segmental dynamics in NOM are reviewed. We also briefly discuss applications of solid-state NMR to NOM from various sources, including soil organic matter, aquatic organic matter, organic matter in atmospheric particulate matter, carbonaceous meteoritic organic matter, and fossil fuels. Finally, examples of NMR-based structural models and an outlook are provided. Copyright © 2016 Elsevier B.V. All rights reserved.

Automated Microflow NMR: Routine Analysis of Five-Microliter Samples

PubMed Central

Jansma, Ariane; Chuan, Tiffany; Geierstanger, Bernhard H.; Albrecht, Robert W.; Olson, Dean L.; Peck, Timothy L.

2006-01-01

A microflow CapNMR probe double-tuned for 1H and 13C was installed on a 400-MHz NMR spectrometer and interfaced to an automated liquid handler. Individual samples dissolved in DMSO-d6 are submitted for NMR analysis in vials containing as little as 10 μL of sample. Sets of samples are submitted in a low-volume 384-well plate. Of the 10 μL of sample per well, as with vials, 5 μL is injected into the microflow NMR probe for analysis. For quality control of chemical libraries, 1D NMR spectra are acquired under full automation from 384-well plates on as many as 130 compounds within 24 h using 128 scans per spectrum and a sample-to-sample cycle time of ∼11 min. Because of the low volume requirements and high mass sensitivity of the microflow NMR system, 30 nmol of a typical small molecule is sufficient to obtain high-quality, well-resolved, 1D proton or 2D COSY NMR spectra in ∼6 or 20 min of data acquisition time per experiment, respectively. Implementation of pulse programs with automated solvent peak identification and suppression allow for reliable data collection, even for samples submitted in fully protonated DMSO. The automated microflow NMR system is controlled and monitored using web-based software. PMID:16194121

NMR crystallography of α-poly(L-lactide).

PubMed

Pawlak, Tomasz; Jaworska, Magdalena; Potrzebowski, Marek J

2013-03-07

A complementary approach that combines NMR measurements, analysis of X-ray and neutron powder diffraction data and advanced quantum mechanical calculations was employed to study the α-polymorph of L-polylactide. Such a strategy, which is known as NMR crystallography, to the best of our knowledge, is used here for the first time for the fine refinement of the crystal structure of a synthetic polymer. The GIPAW method was used to compute the NMR shielding parameters for the different models, which included the α-PLLA structure obtained by 2-dimensional wide-angle X-ray diffraction (WAXD) at -150 °C (model M1) and at 25 °C (model M2), neutron diffraction (WAND) measurements (model M3) and the fully optimized geometry of the PLLA chains in the unit cell with defined size (model M4). The influence of changes in the chain conformation on the (13)C σ(ii) NMR shielding parameters is shown. The correlation between the σ(ii) and δ(ii) values for the M1-M4 models revealed that the M4 model provided the best fit. Moreover, a comparison of the experimental (13)C NMR spectra with the spectra calculated using the M1-M4 models strongly supports the data for the M4 model. The GIPAW method, via verification using NMR measurements, was shown to be capable of the fine refinement of the crystal structures of polymers when coarse X-ray diffraction data for powdered samples are available.

NMRbox: A Resource for Biomolecular NMR Computation.

PubMed

Maciejewski, Mark W; Schuyler, Adam D; Gryk, Michael R; Moraru, Ion I; Romero, Pedro R; Ulrich, Eldon L; Eghbalnia, Hamid R; Livny, Miron; Delaglio, Frank; Hoch, Jeffrey C

2017-04-25

Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users. Copyright © 2017 Biophysical Society. All rights reserved.

Understanding Unimer Exchange Processes in Block Copolymer Micelles using NMR Diffusometry, Time-Resolved NMR, and SANS

NASA Astrophysics Data System (ADS)

Madsen, Louis; Kidd, Bryce; Li, Xiuli; Miller, Katherine; Cooksey, Tyler; Robertson, Megan

Our team seeks to understand dynamic behaviors of block copolymer micelles and their interplay with encapsulated cargo molecules. Quantifying unimer and cargo exchange rates micelles can provide critical information for determining mechanisms of unimer exchange as well as designing systems for specific cargo release dynamics. We are exploring the utility of NMR spectroscopy and diffusometry techniques as complements to existing SANS and fluorescence methods. One promising new method involves time-resolved NMR spin relaxation measurements, wherein mixing of fully protonated and 2H-labeled PEO-b-PCL micelles solutions shows an increase in spin-lattice relaxation time (T1) with time after mixing. This is due to a weakening in magnetic environment surrounding 1H spins as 2H-bearing unimers join fully protonated micelles. We are measuring time constants for unimer exchange of minutes to hours, and we expect to resolve times of <1 min. This method can work on any solution NMR spectrometer and with minimal perturbation to chemical structure (as in dye-labelled fluorescence methods). Multimodal NMR can complement existing characterization tools, expanding and accelerating dynamics measurements for polymer micelle, nanogel, and nanoparticle developers.

In situ Stripline Electrochemical NMR for Batteries

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

Sorte, Eric Glenn; Banek, Nathan A.; Wagner, Michael J.

Here, there exist some long outstanding technical challenges that continue to be of hindrance to fully harnessing the unique investigative advantages of nuclear magnetic resonance (NMR) spectroscopy in the in situ investigation of rechargeable battery chemistry. For instance, the conducting materials and circuitry necessary for an operational battery always deteriorate the coil–based NMR sensitivity when placed inside the coil, and the shape mismatch between them leads to low sample filling factors and even higher detection limits. We report herein a novel and successful adaptation of stripline NMR detection that integrates seamlessly the NMR detection with construction of an electro–chemical devicemore » in general (or a battery in particular) which leads to a technique with much higher detection sensitivity, higher sample filling factors, and which is particularly suitable for mass–limited samples.« less

In situ Stripline Electrochemical NMR for Batteries

DOE PAGES

Sorte, Eric Glenn; Banek, Nathan A.; Wagner, Michael J.; ...

2018-06-11

Here, there exist some long outstanding technical challenges that continue to be of hindrance to fully harnessing the unique investigative advantages of nuclear magnetic resonance (NMR) spectroscopy in the in situ investigation of rechargeable battery chemistry. For instance, the conducting materials and circuitry necessary for an operational battery always deteriorate the coil–based NMR sensitivity when placed inside the coil, and the shape mismatch between them leads to low sample filling factors and even higher detection limits. We report herein a novel and successful adaptation of stripline NMR detection that integrates seamlessly the NMR detection with construction of an electro–chemical devicemore » in general (or a battery in particular) which leads to a technique with much higher detection sensitivity, higher sample filling factors, and which is particularly suitable for mass–limited samples.« less

Probing porous media with gas diffusion NMR

NASA Technical Reports Server (NTRS)

Mair, R. W.; Wong, G. P.; Hoffmann, D.; Hurlimann, M. D.; Patz, S.; Schwartz, L. M.; Walsworth, R. L.

1999-01-01

We show that gas diffusion nuclear magnetic resonance (GD-NMR) provides a powerful technique for probing the structure of porous media. In random packs of glass beads, using both laser-polarized and thermally polarized xenon gas, we find that GD-NMR can accurately measure the pore space surface-area-to-volume ratio, S/V rho, and the tortuosity, alpha (the latter quantity being directly related to the system's transport properties). We also show that GD-NMR provides a good measure of the tortuosity of sandstone and complex carbonate rocks.

NMR-driven identification of anti-amyloidogenic compounds in green and roasted coffee extracts.

PubMed

Ciaramelli, Carlotta; Palmioli, Alessandro; De Luigi, Ada; Colombo, Laura; Sala, Gessica; Riva, Chiara; Zoia, Chiara Paola; Salmona, Mario; Airoldi, Cristina

2018-06-30

To identify food and beverages that provide the regular intake of natural compounds capable of interfering with toxic amyloidogenic aggregates, we developed an experimental protocol that combines NMR spectroscopy and atomic force microscopy, in vitro biochemical and cell assays to detect anti-Aβ molecules in natural edible matrices. We applied this approach to investigate the potential anti-amyloidogenic properties of coffee and its molecular constituents. Our data showed that green and roasted coffee extracts and their main components, 5-O-caffeoylquinic acid and melanoidins, can hinder Aβ on-pathway aggregation and toxicity in a human neuroblastoma SH-SY5Y cell line. Coffee extracts and melanoidins also counteract hydrogen peroxide- and rotenone-induced cytotoxicity and modulate some autophagic pathways in the same cell line. Copyright © 2018 Elsevier Ltd. All rights reserved.

The Gamma-Ray Emitting Radio-Loud Narrow-Line Seyfert 1 Galaxy PKS 2004-447 II. The Radio View

NASA Technical Reports Server (NTRS)

Schulz, R.; Kreikenbohm, A.; Kadler, M.; Ojha, R.; Ros, E.; Stevens, J.; Edwards, P. G.; Carpenter, B.; Elsaesser, D.; Gehrels, N.;

NMR Methods, Applications and Trends for Groundwater Evaluation and Management

NASA Astrophysics Data System (ADS)

Walsh, D. O.; Grunewald, E. D.

2011-12-01

Nuclear magnetic resonance (NMR) measurements have a tremendous potential for improving groundwater characterization, as they provide direct detection and measurement of groundwater and unique information about pore-scale properties. NMR measurements, commonly used in chemistry and medicine, are utilized in geophysical investigations through non-invasive surface NMR (SNMR) or downhole NMR logging measurements. Our recent and ongoing research has focused on improving the performance and interpretation of NMR field measurements for groundwater characterization. Engineering advancements have addressed several key technical challenges associated with SNMR measurements. Susceptibility of SNMR measurements to environmental noise has been dramatically reduced through the development of multi-channel acquisition hardware and noise-cancellation software. Multi-channel instrumentation (up to 12 channels) has also enabled more efficient 2D and 3D imaging. Previous limitations in measuring NMR signals from water in silt, clay and magnetic geology have been addressed by shortening the instrument dead-time from 40 ms to 4 ms, and increasing the power output. Improved pulse sequences have been developed to more accurately estimate NMR relaxation times and their distributions, which are sensitive to pore size distributions. Cumulatively, these advancements have vastly expanded the range of environments in which SNMR measurements can be obtained, enabling detection of groundwater in smaller pores, in magnetic geology, in the unsaturated zone, and nearby to infrastructure (presented here in case studies). NMR logging can provide high-resolution estimates of bound and mobile water content and pore size distributions. While NMR logging has been utilized in oil and gas applications for decades, its use in groundwater investigations has been limited by the large size and high cost of oilfield NMR logging tools and services. Recently, engineering efforts funded by the US Department of

Electromagnetic ray tracing model for line structures.

PubMed

Tan, C B; Khoh, A; Yeo, S H

2008-03-17

In this paper, a model for electromagnetic scattering of line structures is established based on high frequency approximation approach - ray tracing. This electromagnetic ray tracing (ERT) model gives the advantage of identifying each physical field that contributes to the total solution of the scattering phenomenon. Besides the geometrical optics field, different diffracted fields associated with the line structures are also discussed and formulated. A step by step addition of each electromagnetic field is given to elucidate the causes of a disturbance in the amplitude profile. The accuracy of the ERT model is also discussed by comparing with the reference finite difference time domain (FDTD) solution, which shows a promising result for a single polysilicon line structure with width of as narrow as 0.4 wavelength.

Detection of Apoptosis and Necrosis in Normal Human Lung Cells Using 1H NMR Spectroscopy

NASA Astrophysics Data System (ADS)

Shih, Chwen-Ming; Ko, Wun-Chang; Yang, Liang-Yo; Lin, Chien-Ju; Wu, Jui-Sheng; Lo, Tsui-Yun; Wang, Shwu-Huey; Chen, Chien-Tsu

2005-05-01

This study aimed to detect apoptosis and necrosis in MRC-5, a normal human lung cell line, by using noninvasive proton nuclear magnetic resonance (1H NMR). Live MRC-5 cells were processed first for 1H NMR spectroscopy; subsequently their types and the percentage of cell death were assessed on a flow cytometer. Cadmium (Cd) and mercury (Hg) induced apoptosis and necrosis in MRC-5 cells, respectively, as revealed by phosphatidylserine externalization on a flow cytometer. The spectral intensity ratio of methylene (CH2) resonance (at 1.3 ppm) to methyl (CH3) resonance (at 0.9 ppm) was directly proportional to the percentage of apoptosis and strongly and positively correlated with PI staining after Cd treatment (r2 = 0.9868, P < 0.01). In contrast, this ratio only increased slightly within 2-h Hg treatment, and longer Hg exposure failed to produce further increase. Following 2-h Hg exposure, the spectral intensity of choline resonance (at 3.2 ppm) was abolished, but this phenomenon was absent in Cd-induced apoptosis. These findings together demonstrate that 1H NMR is a novel tool with a quantitative potential to distinguish apoptosis from necrosis as early as the onset of cell death in normal human lung cells.