33 CFR 151.2050 - Additional requirements-nonindigenous species reduction practices.

Code of Federal Regulations, 2012 CFR

2012-07-01

...-nonindigenous species reduction practices. 151.2050 Section 151.2050 Navigation and Navigable Waters COAST GUARD... Nonindigenous Species in Waters of the United States § 151.2050 Additional requirements—nonindigenous species... origin. (f) Remove fouling organisms from the vessel's hull, piping, and tanks on a regular basis and...

Enantiodifferentiation through frequency-selective pure-shift (1)H nuclear magnetic resonance spectroscopy.

PubMed

Castañar, Laura; Pérez-Trujillo, Míriam; Nolis, Pau; Monteagudo, Eva; Virgili, Albert; Parella, Teodor

2014-04-04

A frequency-selective 1D (1) H nuclear magnetic resonance (NMR) experiment for the fast and sensitive determination of chemical-shift differences between overlapped resonances is proposed. The resulting fully homodecoupled (1) H NMR resonances appear as resolved 1D singlets without their typical J(HH) coupling constant multiplet structures. The high signal dispersion that is achieved is then exploited in enantiodiscrimination studies by using chiral solvating agents. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

H(C)P and H(P)C triple-resonance experiments at natural abundance employing long-range couplings.

PubMed

Malon, Michal; Koshino, Hiroyuki

2007-09-01

Modified two-dimensional (2D) triple-resonance H(C)P and H(P)C experiments based on INEPT/HMQC and double-INEPT schemes are applied to the study of organophosphorus compounds at natural abundances. The implementation of effective (1)H--(13)C gradient selection, additional purging pulsed field gradients, spinlock pulses, and improved phase cycling is demonstrated to allow weak correlation signals based on long-range couplings to be readily observed. Through the combination of two heteronuclear long-range coupling constants, (n)J(CH) and (n)J(PC) in H(C)P experiments or (n)J(PH) and (n)J(PC) in H(P)C experiments, protons can be correlated to a second heteronucleus through 4-7 chemical bonds. These experiments thus overcome the inherit limitations of classical (1)H-X HMBC experiments, which require a nonzero value of the heteronuclear coupling constant (n)J(XH). Ultra-broadband inversion composite pulses are successfully employed in the H(P)C INEPT/HMQC and H(P)C double-INEPT pulse sequences to increase the utility of the experiments and the quality of obtained spectra. This work extends and completes a set of 2D phase-sensitive triple-resonance experiments applicable at natural abundances, and also offers insight into the methodology of triple-resonance experiments and the application of pulsed field gradients. A one-dimensional triple-resonance experiment employing carbon detection is suggested for accurate determination of small (n)J(PC).

Food and Water Gaps to 2050

NASA Astrophysics Data System (ADS)

Grafton, Q.

2014-12-01

This presentation reviews the pressures, threats and risks to food availability and water based on projected global population growth to 2050. An original model, the Global Food and Water System (GWFS) Platform, is introduced and used to explore food deficits under various scenarios and also the implications for future water gaps. The GWFS platform can assess the effects of crop productivity on food production and incorporates data from 19 major food producing nations to generate a global projection of food and water gaps. Preliminary results indicate that while crop food supply is able to meet global crop food demand by 2050, this is possible only with 'input intensification' that includes increased average rates of water and fertiliser use per hectare and at least a 20% increase in average yield productivity (once and for all). Increased water withdrawals for agriculture with input intensification would, absent any increases in withdrawals in the manufacturing or household uses, would place the world very close to the limits of a safe operating space in terms overall water use by 2050. While global crop food supply can meet projected global demand with input intensification, this still results in large and growing crop food deficits to 2050 in some countries, especially in South Asia, where climate change is expected to increase variability of rainfall and, in some places, reduce overall freshwater availability. While beyond the confines of the GWFS Platform the implications of expected water withdrawals on the environment in particular locations are also briefly reviewed.

Strongly coupled modes of M and H for perpendicular resonance

NASA Astrophysics Data System (ADS)

Sun, Chen; Saslow, Wayne M.

2018-05-01

We apply the equations for the magnetization M ⃗ and field H ⃗ to study their coupled modes for a semi-infinite ferromagnet, conductor, or insulator with magnetization M0 and field H0 normal to the plane (perpendicular resonance) and wave vector normal to the plane, which makes the modes doubly degenerate. With dimensionless damping constant α and dimensionless transverse susceptibility χ⊥=M0/He(He≡H0-M0) , we derive an analytic expression for the wave vector squared, showing that M ⃗ and H ⃗ are nearly decoupled only if α ≫χ⊥ . This is violated in the ferromagnetic regime, although a first correction is found to give good agreement away from resonance. Emphasizing the conductor permalloy as a function of H0 we study the eigenvalues and eigenmodes and the dissipation rate due to absorption both from the total effective field and from the Joule heating. (We include the contribution of the nonuniform exchange energy term, needed for energy conservation.) Using these modes we then apply, for a semi-infinite ferromagnet, a range of boundary conditions (i.e., surface anisotropies) on M⊥ to find the reflection coefficient R and the reflectivity |R| 2. As a function of H0, absorption is dominated by the the skin depth mode (primarily H ⃗) except near the resonance and at a higher-field Hd associated with a dip in the reflectivity, whose position above the main resonance varies quadratically with the surface anisotropy Ks. The dip is driven by the boundary condition on M ⃗; the coefficient of the (primarily) M ⃗ mode becomes very small at the dip, being compensated by an increase in the amplitude of the M ⃗ mode, which has a Lorentzian line shape of height ˜α-1 and width ˜α .

Nickel-hydrogen LEO cycling at 20-50 percent DOD. [depth of discharge

NASA Technical Reports Server (NTRS)

Lowery, John E.; Mai, Jenny

1991-01-01

Two NiH2 two-cell packs made up of engineering cells built according to the Hubble Space Telescope design (EPI RNH 90-3) are currently being low-earth-orbit (LEO) cycled at 20-50 percent depth of discharge (DOD). The cells were manufactured by Eagle-Picher Industries, Inc., and activated with electrolyte (KOH) concentrations of 26 percent (pack No.1) and 31 percent (pack No.2), for use during evaluation of the HST cell design. The cells have been grouped according to electrolyte concentration but follow the same test schedule for comparison. This test was set up to study the behavior of NiH2 cells having differing electrolyte concentrations, when operated at relatively high DOD (20-50 percent) in a LEO cycling program. The test was designed specifically to allow the cells to pick their own recharge ratio for varying DOD and varying EOC (end of charge) voltages. The cells are being cycled in a simulated 96-min orbit with 60-min charge and 36-min discharge where an EOC cutoff voltage controls high-rate charging. EOC cutoff voltages vary between 1.48 V and 1.56 V.

40 CFR 60.2050 - What is a siting analysis?

Code of Federal Regulations, 2012 CFR

2012-07-01

... Analysis § 60.2050 What is a siting analysis? (a) The siting analysis must consider air pollution control... include the consideration of air pollution control alternatives specified in paragraph (a) of this section... Section 60.2050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS...

40 CFR 60.2050 - What is a siting analysis?

Code of Federal Regulations, 2010 CFR

2010-07-01

... alternatives. (b) Analyses of your CISWI unit's impacts that are prepared to comply with State, local, or other... 40 Protection of Environment 6 2010-07-01 2010-07-01 false What is a siting analysis? 60.2050 Section 60.2050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS...

40 CFR 60.2050 - What is a siting analysis?

Code of Federal Regulations, 2011 CFR

2011-07-01

... alternatives. (b) Analyses of your CISWI unit's impacts that are prepared to comply with State, local, or other... 40 Protection of Environment 6 2011-07-01 2011-07-01 false What is a siting analysis? 60.2050 Section 60.2050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS...

21 CFR 892.2050 - Picture archiving and communications system.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Picture archiving and communications system. 892.2050 Section 892.2050 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN... communications system. (a) Identification. A picture archiving and communications system is a device that...

Technology for NASA's Planetary Science Vision 2050.

NASA Technical Reports Server (NTRS)

Lakew, B.; Amato, D.; Freeman, A.; Falker, J.; Turtle, Elizabeth; Green, J.; Mackwell, S.; Daou, D.

2017-01-01

NASAs Planetary Science Division (PSD) initiated and sponsored a very successful community Workshop held from Feb. 27 to Mar. 1, 2017 at NASA Headquarters. The purpose of the Workshop was to develop a vision of planetary science research and exploration for the next three decades until 2050. This abstract summarizes some of the salient technology needs discussed during the three-day workshop and at a technology panel on the final day. It is not meant to be a final report on technology to achieve the science vision for 2050.

2050: A Pricing Odyssey

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

Faruqui, Ahmad

2006-10-15

The author uses the Rip Van Winkle approach favored by marketers to gaze, clear-eyed, into the future - say, the year 2050 - to visualize alternative demand-response possibilities. Dare we go California Dreamin' of a distant utopia - or is it inevitable that pricing myopia will keep us from attaining the fulfillment of many of our career goals? (author)

21 CFR 82.2050 - General.

Code of Federal Regulations, 2010 CFR

2010-04-01

... PROVISIONALLY LISTED COLORS AND SPECIFICATIONS Externally Applied Drugs and Cosmetics § 82.2050 General. A batch of a straight color listed in this subpart may be certified, in accordance with the provisions of this part, for use in externally applied drugs and cosmetics, if such batch conforms to the...

Brain aging: Evaluation of pH using phosphorus magnetic resonance spectroscopy.

PubMed

Cichocka, Monika; Kozub, Justyna; Urbanik, Andrzej

2018-02-02

Very important aspects of aging include age-related changes occurring in the brain. The aim of the present study was to identify the standard pH value in the entire brain volume using phosphorus magnetic resonance spectroscopy in healthy individuals of both sexes in different age groups, and then to determine whether there are differences in these values. A total of 65 individuals aged 20-32 years (mean age 24.5 ± 2.1 years, 31 women and 34 men) and 31 individuals aged 60-81 years (mean age 64.9 ± 5.5 years, 17 women and 14 men) were studied. The phosphorus magnetic resonance spectroscopy examination was carried out using a 1.5-T magnetic resonance system. The signal was acquired from the volume of interest that covered the whole brain. A vast majority of the examined individuals had slightly alkaline brain pH regardless of age. In the ≥20 years group, pH was 7.09 ± 0.11, and in the ≥60 years group, the average pH was 7.03 ± 0.05. This comparison of the pH identified in all the tested individuals shows a negative correlation of pH with age. The present findings might provide a valuable basis for further research into "healthy aging" as well as pathology in older adults. Geriatr Gerontol Int 2018; ••: ••-••. © 2018 Japan Geriatrics Society.

Optically detected cyclotron resonance investigations on 4H and 6H SiC: Band-structure and transport properties

NASA Astrophysics Data System (ADS)

Meyer, B. K.; Hofmann, D. M.; Volm, D.; Chen, W. M.; Son, N. T.; Janzén, E.

2000-02-01

We present experimental data on the band-structure and high-mobility transport properties of 6H and 4H-SiC epitaxial films based on optically detected cyclotron resonance investigations. From the orientational dependence of the electron effective mass in 6H-SiC we obtain direct evidence for the camels back nature of the conduction band between the M and L points. The broadening of the resonance signal in 4H-SiC as a function of temperature is used to extract information on electron mobilities and to conclude on the role of the different scattering mechanisms. Under high microwave powers an enhancement of the electron effective mass is found which is explained by a coupling of the electrons with longitudinal optical phonons.

Projecting Electricity Demand in 2050

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

Hostick, Donna J.; Belzer, David B.; Hadley, Stanton W.

2014-07-01

This paper describes the development of end-use electricity projections and load curves that were developed for the Renewable Electricity (RE) Futures Study (hereafter RE Futures), which explored the prospect of higher percentages (30% - 90%) of total electricity generation that could be supplied by renewable sources in the United States. As input to RE Futures, two projections of electricity demand were produced representing reasonable upper and lower bounds of electricity demand out to 2050. The electric sector models used in RE Futures required underlying load profiles, so RE Futures also produced load profile data in two formats: 8760 hourly datamore » for the year 2050 for the GridView model, and in 2-year increments for 17 time slices as input to the Regional Energy Deployment System (ReEDS) model. The process for developing demand projections and load profiles involved three steps: discussion regarding the scenario approach and general assumptions, literature reviews to determine readily available data, and development of the demand curves and load profiles.« less

Renewable energy - Target for 2050

NASA Astrophysics Data System (ADS)

Rowe, W. D.

1982-02-01

The possibilities of various renewable energy technologies to supply a projected world demand for 40,000 GW years of energy each year by the year 2050 are examined. Noting that industrial processes consume 50% of all energy needs, fossil fuel reserves are shown to be sufficient for a maximum of 370 yr in the U.S., when all supplies become depleted. Breeder reactors have a doubling time which is 30 yr too long for meeting more than 0.5% of world energy demand in 2050, while fusion, even considering ocean-derived deuterium as a fuel source, will not be supplying energy for another 35-70 yr. Among the solar technologies, the installation of ten million 100 m tall 4 MW wind generators is feasible to meet all the projected energy needs, and solar cells with 10% conversion efficiency could do the same with 14 times less land. Further discussion is given to geothermal, fuel cell, and OTEC technologies, as well as the forty trillion dollars necessary to erect the fully renewable systems.

ANTIFERROMAGNETIC SPIN RESONANCE OF COBR2.6H20,

DTIC Science & Technology

Electron spin resonance experiments were carried out on single crystals of CoBr2.6H20 at temperatures from 1.2 to 4.2K, using a microwave transmission spectrometer over a range of frequencies from 29 to 59 kMc .

Selective Adsorption Resonances in the Scattering of n-H2 p-H2 n-D2 and o-D2 from Ag(111)

NASA Astrophysics Data System (ADS)

Yu, Chien-Fan; Whaley, K. Birgitta; Hogg, Charles S.; Sibener, Steven J.

1983-12-01

Diffractive and rotationally mediated selective adsorption scattering resonances are reported for n-H2 p-H2 n-D2 and o-D2 on Ag(111). Small resonance shifts and line-width differences are observed between n-H2 and p-H2 indicating a weak orientation dependence of the laterally averaged H2/Ag(111) potential. The p-H2 and o-D2 levels were used to determine the isotropic component of this potential, yielding a well depth of ~ 32 meV.

Measurement of H/H+D Ratio and Recycling in Ion Cyclotron Resonance Heating HT-6M Tokamak

NASA Astrophysics Data System (ADS)

Ding, Liancheng; Jiang, Guangkuan; Wei, Lehan

1994-12-01

A scanning Fabry-Perot interferometer has been used to measure the Hα and Dα lines obtain the H/H+D ratio in ion cyclotron resonance heating HT-6M tokamak for determing the energy absorption mechanism. The recycling is observed by changing the working gas from deuterium to hydrogen.

Pediatric Pathology In The Year 2050.

PubMed

Singer, Don B

2015-01-01

The study of pathology in fetuses, infants, and children had its beginnings in the mid-19th century. Now, 165 years later, hundreds of pediatric pathologists are in up-to-date practices throughout the world. They, and all medical practitioners, are just beginning to delve into the nanotechnical wave. Nanotechnology refers to the structure and activity of minute particles, molecules, compounds, and atoms. By 2050, as nanotechnical studies develop further, new diseases and variations of old diseases will be discovered. Aggregation of medical data from billions of people, a process known as crowd sourcing, will be digitally interconnected to the new findings with computers. Pediatric pathologists will contribute to this expanding science with new laboratory instruments, including ultramodern microscopes known as Omniscopes. Robots will be programmed to perform autopsies and process surgical specimens. Analyzers in chemistry, microbiology, hematology, and genetics will, in 2050, produce dozens or even hundreds of results within minutes. These advances will lead to better treatments and overall better health for everyone.

The Solar City Daegu 2050 Project: Visions for a Sustainable City

ERIC Educational Resources Information Center

Kim, Jong-dall; Han, Dong-hi; Na, Jung-gyu

2006-01-01

The Solar City Daegu 2050 Project (SCD 2050) represents a comprehensive model for shaping the future of this city of 2.5 million residents with a mixed industrial and services economic base. Its specific aims are as follows: realization of a carbon footprint consistent with standards of global sustainability and equity; the development of a…

Resonances in the reaction ortho- and para- D2 + H at temperatures below 10 K

NASA Astrophysics Data System (ADS)

Simbotin, I.; Côté, R.

2016-05-01

In a previous study we reported cross sections for the reaction H2 + D in the temperature regime 10-6 < T < 10 K, and found pronounced shape resonances, especially in the p and d partial waves. We found that the resonant structures were sensitive to the initial rovibrational state of H2; in particular, we showed that the effect of the nuclear-spin symmetry was very important, since ortho- and para- H2 gave significantly different results. We now investigate the reaction D2 + H for vibrationally excited ortho- and para- D2, and compare and contrast these results with those for H2 + D. We remark that this benchmark system is a prototypical example of reactions with a strong barrier, which have very small cross sections in the cold and ultracold regimes. However, shape resonances can enhance the reaction cross sections by orders of magnitude for temperatures around and below T = 1 K. Moreover, resonant features would provide stringent tests for quantum chemistry calculations of potential energy surfaces. Partial support from the US Army Research Office (Grant No. W911NF-13-1-0213).

Unitarity, analyticity, dispersion relations, and resonances in strongly interacting WLWL, ZLZL, and h h scattering

NASA Astrophysics Data System (ADS)

Delgado, Rafael L.; Dobado, Antonio; Llanes-Estrada, Felipe J.

2015-04-01

If the electroweak symmetry breaking sector turns out to be strongly interacting, the actively investigated effective theory for longitudinal gauge bosons plus Higgs can be efficiently extended to cover the regime of saturation of unitarity (where the perturbative expansion breaks down). This is achieved by dispersion relations, whose subtraction constants and left cut contribution can be approximately obtained in different ways, giving rise to different unitarization procedures. We illustrate the ideas with the inverse amplitude method, one version of the N/D method, and another improved version of the K matrix. In the three cases we get partial waves which are unitary, analytical with the proper left and right cuts, and in some cases poles in the second Riemann sheet that can be understood as dynamically generated resonances. In addition, they reproduce at next to leading order the perturbative expansion for the five partial waves not vanishing (up to J =2 ), and they are renormalization scale (μ ) independent. Also the unitarization formalisms are extended to the coupled channel case. Then we apply the results to the elastic scattering amplitude for the longitudinal components of the gauge bosons V =W ,Z at high energy. We also compute h h →h h and the inelastic process V V →h h which are coupled to the elastic V V channel for custodial isospin I =0 . We numerically compare the three methods for various values of the low-energy couplings and explain the reasons for the differences found in the I =J =1 partial wave. Then we study the resonances appearing in the different elastic and coupled channels in terms of the effective Lagrangian parameters.

Cost-effectiveness of reducing emissions from tropical deforestation, 2016-2050

NASA Astrophysics Data System (ADS)

Busch, Jonah; Engelmann, Jens

2017-12-01

Reducing tropical deforestation is potentially a large-scale and low-cost strategy for mitigating climate change. Yet previous efforts to project the cost-effectiveness of policies to reduce greenhouse gas emissions from future deforestation across the tropics were hampered by crude available data on historical forest loss. Here we use recently available satellite-based maps of annual forest loss between 2001-2012, along with information on topography, accessibility, protected status, potential agricultural revenue, and an observed inverted-U-shaped relationship between forest cover loss and forest cover, to project tropical deforestation from 2016-2050 under alternative policy scenarios and to construct new marginal abatement cost curves for reducing emissions from tropical deforestation. We project that without new forest conservation policies 289 million hectares of tropical forest will be cleared from 2016-2050, releasing 169 GtCO2. A carbon price of US20/tCO2 (50/tCO2) across tropical countries would avoid 41 GtCO2 (77 GtCO2) from 2016-2050. By comparison, we estimate that Brazil’s restrictive policies in the Amazon between 2004-2012 successfully decoupled potential agricultural revenue from deforestation and reduced deforestation by 47% below what would have otherwise occurred, preventing the emission of 5.2 GtCO2. All tropical countries enacting restrictive anti-deforestation policies as effective as those in the Brazilian Amazon between 2004-2012 would avoid 58 GtCO2 from 2016-2050.

50% REDUCTION IN GLOBAL GHG EMISSION BY 2050 AND ITS IMPLICATION

NASA Astrophysics Data System (ADS)

Fujimori, Shinichiro; Masui, Toshihiko; Matsuoka, Yuzuru

To prevent the global temperature increase by two degrees, global greenhouse gas emission in 2050 should be cut by half relative to its 1990 level. This study shows following three things by using multi regions and sectors recursive dynamic type computable general equilibrium model. One is the feasibility of that global emission target. The others are the counter measures and the impact on the macro economy, if that target were feasible. In addition, the scenarios with and without international emission trading are implemented and the effect of the trading is analyzed. As a result, that target can be achieved. The marginal abatement cost is 750/tCO2-eq in 2050. Energy efficiency improvement, renewable energy and carbon capture and storage technologies are the main players as counter measures. If the emission trading is available freely, GDP loss is 4.5% globally in 2050. Otherwise, the loss is increased to 6.1%. The emission trading mechanism is also one of the important measures.

2H{ 19F} REDOR for distance measurements in biological solids using a double resonance spectrometer

NASA Astrophysics Data System (ADS)

Grage, Stephan L.; Watts, Jude A.; Watts, Anthony

2004-01-01

A new approach for distance measurements in biological solids employing 2H{ 19F} rotational echo double resonance was developed and validated on 2H, 19F- D-alanine and an imidazopyridine based inhibitor of the gastric H +/K +-ATPase. The 2H- 19F double resonance experiments presented here were performed without 1H decoupling using a double resonance NMR spectrometer. In this way, it was possible to benefit from the relatively longer distance range of fluorine without the need of specialized fluorine equipment. A distance of 2.5 ± 0.3 Å was measured in the alanine derivative, indicating a gauche conformation of the two labels. In the case of the imidazopyridine compound a lower distance limit of 5.2 Å was determined and is in agreement with an extended conformation of the inhibitor. Several REDOR variants were compared, and their advantages and limitations discussed. Composite fluorine dephasing pulses were found to enhance the frequency bandwidth significantly, and to reduce the dependence of the performance of the experiment on the exact choice of the transmitter frequency.

Evaluation of Aluminum Alloy 2050-T84 Microstructure and Mechanical Properties at Ambient and Cryogenic Temperatures

NASA Technical Reports Server (NTRS)

Hafley, Robert A.; Domack, Marcia S.; Hales, Stephen J.; Shenoy, Ravi N.

2011-01-01

Aluminum alloy 2050 is being considered for the fabrication of cryogenic propellant tanks to reduce the mass of future heavy-lift launch vehicles. The alloy is available in section thicknesses greater than that of the incumbent aluminum alloy, 2195, which will enable designs with greater structural efficiency. While ambient temperature design allowable properties are available for alloy 2050, cryogenic properties are not available. To determine its suitability for use in cryogenic propellant tanks, tensile, compression and fracture tests were conducted on 4 inch thick 2050-T84 plate at ambient temperature and at -320degF. Various metallurgical analyses were also performed in order to provide an understanding of the compositional homogeneity and microstructure of 2050.

On the Nature of the Hard X-Ray Sources SWIFT J1907.3-2050, IGR J12123-5802 and IGR J19552+0044

NASA Technical Reports Server (NTRS)

Bernardini, F.; deMartino, D; Mukai, K.; Falanga, M.; Andruchow, I.; Bonnet-Bidaud, J.-M.; Masetti, N.; GonzalezBuitrago, D. H.; Mouchet, M.; Tovmassian, G.

2014-01-01

The INTEGRAL and Swift hard X-ray surveys have identified a large number of new sources, among which many are proposed as Cataclysmic Variables (CVs). Here we present the first detailed study of three X-ray selected CVs, Swift J1907.3-2050, IGRJ12123-5802, and IGRJ19552+0044 based on XMM-Newton, Suzaku, Swift observations and ground based optical and archival nIR/IR data. Swift J1907.3-2050 is highly variable from hours to monthsyears at all wavelengths. No coherent X-ray pulses are detected but rather transient features. The X-ray spectrum reveals a multi-temperature optically thin plasma absorbed by complex neutral material and a soft black body component arising from a small area. These characteristics are remarkably similar to those observed in magnetic CVs. A supra-solar abundance of nitrogen could arise from nuclear processed material from the donor star. Swift J1907.3-2050 could be a peculiar magnetic CV with the second longest (20.82 h) binary period. IGRJ12123-5802 is variable in the X-rays on a timescale of approximately or greater than 7.6 h. No coherent pulsations are detected, but its spectral characteristics suggest that it could be a magnetic CV of the Intermediate Polar (IP) type. IGRJ19552+0044 shows two X-ray periods, approximately 1.38 h and approximately 1.69 h and a X-ray spectrum characterized by a multi-temperature plasma with little absorption.We derive a low accretion rate, consistent with a CV below the orbital period gap. Its peculiar nIR/IR spectrum suggests a contribution from cyclotron emission. It could either be a pre-polar or an IP with the lowest degree of asynchronism.

33 CFR 151.2050 - What methods are used to monitor compliance with this subpart?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false What methods are used to monitor compliance with this subpart? 151.2050 Section 151.2050 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION VESSELS CARRYING OIL, NOXIOUS LIQUID SUBSTANCES, GARBAGE, MUNICIPAL OR COMMERCIAL WASTE, AND...

33 CFR 151.2050 - What methods are used to monitor compliance with this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false What methods are used to monitor compliance with this subpart? 151.2050 Section 151.2050 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION VESSELS CARRYING OIL, NOXIOUS LIQUID SUBSTANCES, GARBAGE, MUNICIPAL OR COMMERCIAL WASTE, AND...

Resonances at very low temperature for the reaction D2 + H

NASA Astrophysics Data System (ADS)

Simbotin, I.; Côté, R.

2017-05-01

We present numerical results for rate coefficients of reaction and vibrational quenching in the collision of H with {{{D}}}2(v,j) at cold and ultracold temperatures. We explore both ortho-D{}2(j=0) and para-D{}2(j=1) for several initial vibrational states (v≤slant 5), and find resonant structures in the energy range 0.01-10 K, which are sensitive to the initial rovibrational state (v, j). We compare the reaction rates for D2 + H with our previously obtained results for the isotopologue reaction H2 + D, and discuss the implications of our detailed study of this benchmark system for ultracold chemistry.

1H nuclear magnetic resonance studies of sarcoplasmic oxygenation in the red cell-perfused rat heart.

PubMed

Jelicks, L A; Wittenberg, B A

1995-05-01

The proximal histidine N delta H proton of deoxymyoglobin experiences a large hyperfine shift resulting in its 1H nuclear magnetic resonance (NMR) signal appearing at approximately 76 ppm (at 35 degrees C), downfield of the diamagnetic spectral region. 1H NMR of this proton is used to monitor sarcoplasmic oxygen pressure in isolated perfused rat heart. This method monitors intracellular oxygenation in the whole heart and does not reflect oxygenation in a limited region. The deoxymyoglobin resonance intensity is reduced upon conversion of myoglobin to the ferric form by sodium nitrite. 1H resonances of the N delta H protons of the alpha and beta subunits of bovine deoxyhemoglobin do not interfere with the measurement of myoglobin deoxygenation in blood-perfused rat heart. We find that steady-state myoglobin deoxygenation is increased progressively (and reversibly) as oxygenation of the perfusing medium is decreased in both saline and red blood cell-perfused hearts at constant work output. An eightfold increase in the heart rate of the blood-perfused heart resulted in no change in the deoxymyoglobin signal intensity. Intracellular PO2 of myoglobin-containing cells is maintained remarkably constant in changing work states.

Direct quantitative 13 C-filtered 1 H magnetic resonance imaging of PEGylated biomacromolecules in vivo.

PubMed

Alvares, Rohan D A; Lau, Justin Y C; Macdonald, Peter M; Cunningham, Charles H; Prosser, R Scott

2017-04-01

1 H MRI is an established diagnostic method that generally relies on detection of water. Imaging specific macromolecules is normally accomplished only indirectly through the use of paramagnetic tags, which alter the water signal in their vicinity. We demonstrate a new approach in which macromolecular constituents, such as proteins and drug delivery systems, are observed directly and quantitatively in vivo using 1 H MRI of 13 C-labeled poly(ethylene glycol) ( 13 C-PEG) tags. Molecular imaging of 13 C-PEG-labeled species was accomplished by incorporating a modified heteronuclear multiple quantum coherence filter into a gradient echo imaging sequence. We demonstrate the approach by monitoring the real-time distribution of 13 C-PEG and 13 C-PEGylated albumin injected into the hind leg of a mouse. Filtering the 1 H PEG signal through the directly coupled 13 C nuclei largely eliminates background water and fat signals, thus enabling the imaging of molecules using 1 H MRI. PEGylation is widely employed to enhance the performance of a multitude of macromolecular therapeutics and drug delivery systems, and 13 C-filtered 1 H MRI of 13 C-PEG thus offers the possibility of imaging and quantitating their distribution in living systems in real time. Magn Reson Med 77:1553-1561, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Electron spin resonance of (CO 2 H)CH 2 CH 2 CH(CO 2 H) in irradiated glutaric acid

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

Horsfield, A.; Morton, J. R.; Whiffen, D. H.

It is concluded from electron spin resonance spectra that the radical (CO 2 H)CH 2 CH 2 CH(CO 2 H) remains trapped in a glutaric acid crystal after gamma -irradiation. This radical is found in two different conformations. Approximate hyperfine coupling constants are given for each, although exact interpretation is hindered by the overlapping of spectra. Reasons for the formation of the two forms of the radical are discussed.

pH tunability and influence of alkali metal basicity on the plasmonic resonance of silver nanoparticles

NASA Astrophysics Data System (ADS)

Yadav, Vijay D.; Akhil Krishnan, R.; Borade, Lalit; Shirolikar, Seema; Jain, Ratnesh; Dandekar, Prajakta

2017-07-01

Localized surface plasmon resonance has been a unique and intriguing feature of silver nanoparticles (AgNPs) that has attracted immense attention. This has led to an array of applications for AgNPs in optics, sensors, plasmonic imaging etc. Although numerous applications have been reported consistently, the importance of buffer and reaction parameters during the synthesis of AgNPs, is still unclear. In the present study, we have demonstrated the influence of parameters like pH, temperature and buffer conditions (0.1 M citrate buffer) on the plasmonic resonance of AgNPs. We found that neutral and basic pH (from alkali metal) provide optimum interaction conditions for nucleation of plasmon resonant AgNPs. Interestingly, this was not observed in the non-alkali metal base (ammonia). Also, when the nanoparticles synthesized from alkali metal base were incorporated in different buffers, it was observed that the nanoparticles dissolved in the acidic buffer and had reduced plasmonic resonance intensity. This, however, was resolved in the basic buffer, increasing the plasmonic resonance intensity and confirming that nucleation of nanoparticles required basic conditions. The above inference has been supported by characterization of AgNPs using UV-Vis spectrophotometer, Fluorimetry analysis, Infrared spectrometer and TEM analysis. The study concluded that the plasmonic resonance of AgNPs occurs due to the interaction of alkali (Na) and transition metal (Ag) salt in basic/neutral conditions, at a specific temperature range, in presence of a capping agent (citric acid), providing a pH tune to the overall system.

40 CFR 60.2050 - What is a siting analysis?

Code of Federal Regulations, 2014 CFR

2014-07-01

...? (a) The siting analysis must consider air pollution control alternatives that minimize, on a site... air pollution control alternatives specified in paragraph (a) of this section. (c) You must complete... Section 60.2050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS...

40 CFR 60.2050 - What is a siting analysis?

Code of Federal Regulations, 2013 CFR

2013-07-01

...? (a) The siting analysis must consider air pollution control alternatives that minimize, on a site... air pollution control alternatives specified in paragraph (a) of this section. (c) You must complete... Section 60.2050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS...

Forecasting age-related macular degeneration through the year 2050: the potential impact of new treatments.

PubMed

Rein, David B; Wittenborn, John S; Zhang, Xinzhi; Honeycutt, Amanda A; Lesesne, Sarah B; Saaddine, Jinan

2009-04-01

To forecast age-related macular degeneration (AMD) and its consequences in the United States through the year 2050 with different treatment scenarios. We simulated cases of early AMD, choroidal neovascularization (CNV), geographic atrophy (GA), and AMD-attributable visual impairment and blindness with 5 universal treatment scenarios: (1) no treatment; (2) focal laser and photodynamic therapy (PDT) for CNV; (3) vitamin prophylaxis at early-AMD incidence with focal laser/PDT for CNV; (4) no vitamin prophylaxis followed by focal laser treatment for extra and juxtafoveal CNV and anti-vascular endothelial growth factor treatment; and (5) vitamin prophylaxis at early-AMD incidence followed by CNV treatment, as in scenario 4. Cases of early AMD increased from 9.1 million in 2010 to 17.8 million in 2050 across all scenarios. In non-vitamin-receiving scenarios, cases of CNV and GA increased from 1.7 million in 2010 to 3.8 million in 2050 (25% lower in vitamin-receiving scenarios). Cases of visual impairment and blindness increased from 620 000 in 2010 to 1.6 million in 2050 when given no treatment and were 2.4%, 22.0%, 16.9%, and 34.5% lower in scenarios 2, 3, 4, and 5, respectively. Prevalence of AMD will increase substantially by 2050, but the use of new therapies can mitigate its effects.

Projecting the spatiotemporal carbon dynamics of the Greater Yellowstone Ecosystem from 2006 to 2050

USGS Publications Warehouse

Huang, Shengli; Liu, Shuguang; Liu, Jinxun; Dahal, Devendra; Young, Claudia; Davis, Brian; Sohl, Terry L.; Hawbaker, Todd J.; Sleeter, Benjamin M.; Zhu, Zhiliang

2015-01-01

BackgroundClimate change and the concurrent change in wildfire events and land use comprehensively affect carbon dynamics in both spatial and temporal dimensions. The purpose of this study was to project the spatial and temporal aspects of carbon storage in the Greater Yellowstone Ecosystem (GYE) under these changes from 2006 to 2050. We selected three emission scenarios and produced simulations with the CENTURY model using three General Circulation Models (GCMs) for each scenario. We also incorporated projected land use change and fire occurrence into the carbon accounting.ResultsThe three GCMs showed increases in maximum and minimum temperature, but precipitation projections varied among GCMs. Total ecosystem carbon increased steadily from 7,942 gC/m2 in 2006 to 10,234 gC/m2 in 2050 with an annual rate increase of 53 gC/m2/year. About 56.6% and 27% of the increasing rate was attributed to total live carbon and total soil carbon, respectively. Net Primary Production (NPP) increased slightly from 260 gC/m2/year in 2006 to 310 gC/m2/year in 2050 with an annual rate increase of 1.22 gC/m2/year. Forest clear-cutting and fires resulted in direct carbon removal; however, the rate was low at 2.44 gC/m2/year during 2006–2050. The area of clear-cutting and wildfires in the GYE would account for 10.87% of total forested area during 2006–2050, but the predictive simulations demonstrated different spatial distributions in national forests and national parks.ConclusionsThe GYE is a carbon sink during 2006–2050. The capability of vegetation is almost double that of soil in terms of sequestering extra carbon. Clear-cutting and wildfires in GYE will affect 10.87% of total forested area, but direct carbon removal from clear-cutting and fires is 109.6 gC/m2, which accounts for only 1.2% of the mean ecosystem carbon level of 9,056 gC/m2, and thus is not significant.

Projecting the spatiotemporal carbon dynamics of the Greater Yellowstone Ecosystem from 2006 to 2050.

PubMed

Huang, Shengli; Liu, Shuguang; Liu, Jinxun; Dahal, Devendra; Young, Claudia; Davis, Brian; Sohl, Terry L; Hawbaker, Todd J; Sleeter, Ben; Zhu, Zhiliang

2015-12-01

Climate change and the concurrent change in wildfire events and land use comprehensively affect carbon dynamics in both spatial and temporal dimensions. The purpose of this study was to project the spatial and temporal aspects of carbon storage in the Greater Yellowstone Ecosystem (GYE) under these changes from 2006 to 2050. We selected three emission scenarios and produced simulations with the CENTURY model using three General Circulation Models (GCMs) for each scenario. We also incorporated projected land use change and fire occurrence into the carbon accounting. The three GCMs showed increases in maximum and minimum temperature, but precipitation projections varied among GCMs. Total ecosystem carbon increased steadily from 7,942 gC/m 2 in 2006 to 10,234 gC/m 2 in 2050 with an annual rate increase of 53 gC/m 2 /year. About 56.6% and 27% of the increasing rate was attributed to total live carbon and total soil carbon, respectively. Net Primary Production (NPP) increased slightly from 260 gC/m 2 /year in 2006 to 310 gC/m 2 /year in 2050 with an annual rate increase of 1.22 gC/m 2 /year. Forest clear-cutting and fires resulted in direct carbon removal; however, the rate was low at 2.44 gC/m 2 /year during 2006-2050. The area of clear-cutting and wildfires in the GYE would account for 10.87% of total forested area during 2006-2050, but the predictive simulations demonstrated different spatial distributions in national forests and national parks. The GYE is a carbon sink during 2006-2050. The capability of vegetation is almost double that of soil in terms of sequestering extra carbon. Clear-cutting and wildfires in GYE will affect 10.87% of total forested area, but direct carbon removal from clear-cutting and fires is 109.6 gC/m 2 , which accounts for only 1.2% of the mean ecosystem carbon level of 9,056 gC/m 2 , and thus is not significant.

Projected Urban Growth (2000 - 2050) and Its Estimated Impact on the US Forest Resource

Treesearch

David J. Nowak; Jeffrey T. Walton; Jeffrey T. Walton

2005-01-01

Urban land in the United States is projected to increase from 3.1% in 2000 to 8.1% in 2050, an area of 392,400 km2, which is larger than the state of Montana. By 2050, four states (Rhode Island, New Jersey, Massachusetts, and Connecticut) are projected to be more than one-half urban land. The total projected amount of US forestland estimated to be subsumed by...

Shear Wave Velocity, Depth to Bedrock, and Fundamental Resonance Applied to Bedrock Mapping using MASW and H/V Analysis

NASA Astrophysics Data System (ADS)

Gonsiewski, J.

2015-12-01

Mapping bedrock depth is useful for earthquake hazard analysis, subsurface water transport, and other applications. Recently, collaborative experimentation provided an opportunity to explore a mapping method. Near surface glacial till shear wave velocity (Vs) where data is available from an array of 3-component seismometers were studied for this experiment. Vs is related to depth to bedrock (h) and fundamental resonance (Fo); Fo = Vs/(4h). The H/V spectral peak frequency of recordings from a 3-component seismometer yields a fundamental resonance estimate. Where a suitable average Vs is established, the depth to bedrock can be calculated at every seismometer. 3-component seismometer data was provided by Spectraseis. Geophones, seismographs, and an extra 3-component seismometer were provided by Wright State University for this study. For Vs analysis, three MASW surveys were conducted near the seismometer array. SurfSeis3© was used for processing MASW data. Overtones from complicated bedrock structure and great bedrock depth are improved by combining overtones from multiple source offsets from each survey. From MASW Vs and depth to bedrock results, theoretical fundamental resonance (Fo) was calculated and compared with the H/V peak spectral frequency measured by a seismometer at selected sites and processed by Geopsy processing software. Calculated bedrock depths from all geophysical data were compared with measured bedrock depths at nearby water wells and oil and gas wells provided by ODNR. Vs and depth to bedrock results from MASW produced similar calculated fundamental resonances to the H/V approximations by respective seismometers. Bedrock mapping was performed upon verifying the correlation between the theoretical fundamental resonance and H/V peak frequencies. Contour maps were generated using ArcGIS®. Contour lines interpolated from local wells were compared with the depths calculated from H/V analysis. Bedrock depths calculated from the seismometer array

In Vivo Proton–Electron Double-Resonance Imaging of Extracellular Tumor pH Using an Advanced Nitroxide Probe

PubMed Central

Samouilov, Alexandre; Efimova, Olga V.; Bobko, Andrey A.; Sun, Ziqi; Petryakov, Sergey; Eubank, Timothy D.; Trofimov, Dmitrii G.; Kirilyuk, Igor A.; Grigor’ev, Igor A.; Takahashi, Wataru; Zweier, Jay L.; Khramtsov, Valery V.

2014-01-01

A variable radio frequency proton–electron double-resonance imaging (VRF PEDRI) approach for pH mapping of aqueous samples has been recently developed (Efimova et al. J. Magn. Reson. 2011, 209, 227–232). A pH map is extracted from two PEDRI acquisitions performed at electron paramagnetic resonance (EPR) frequencies of protonated and unprotonated forms of a pH-sensitive probe. To translate VRF PEDRI to an in vivo setting, an advanced pH probe was synthesized. Probe deuteration resulted in a narrow spectral line of 1.2 G compared to a nondeuterated analogue line width of 2.1 G allowing for an increase of Overhauser enhancements and reduction in rf power deposition. Binding of the probe to the cell-impermeable tripeptide, glutathione (GSH), allows for targeting to extracellular tissue space for monitoring extracellular tumor acidosis, a prognostic factor in tumor pathophysiology. The probe demonstrated pH sensitivity in the 5.8–7.8 range, optimum for measurement of acidic extracellular tumor pH (pHe). In vivo VRF PEDRI was performed on Met-1 tumor-bearing mice. Compared to normal mammary glands with a neutral mean pHe (7.1 ± 0.1), we observed broader pH distribution with acidic mean pHe (6.8 ± 0.1) in tumor tissue. In summary, VRF PEDRI in combination with a newly developed pH probe provides an analytical approach for spatially resolved noninvasive pHe monitoring, in vivo. PMID:24372284

21 CFR 20.50 - Nonspecific and overly burdensome requests.

Code of Federal Regulations, 2010 CFR

2010-04-01

... policy reasons justifying the requests. A decision on the processing of such a request for information... PUBLIC INFORMATION Procedures and Fees § 20.50 Nonspecific and overly burdensome requests. The Food and... taking into account the staff-hours required, the tasks from which these resources must be diverted, the...

Association rate constants for reactions between resonance-stabilized radicals: C 3H 3 + C 3H 3, C 3H 3 + C 3H 5, and C 3H 5 + C 3H 5

DOE PAGES

Georgievskii, Yuri; Miller, James A.; Klippenstein, Stephen J.

2007-05-18

Reactions between resonance-stabilized radicals play an important role in combustion chemistry. The theoretical prediction of rate coefficients and product distributions for such reactions is complicated by the fact that the initial complex-formation steps and some dissociation steps are barrierless. In this work, direct variable reaction coordinate transition state theory (VRC-TST) is used to predict accurately the association rate constants for the self and cross reactions of propargyl and allyl radicals. For each reaction, a set of multifaceted dividing surfaces is used to account for the multiple possible addition channels. Because of their resonant nature the geometric relaxation of the radicalsmore » is important. Here, the effect of this relaxation is explicitly calculated with the UB3LYP/cc-pvdz method for each mutual orientation encountered in the configurational integrals over the transition state dividing surfaces. The final energies are obtained from CASPT2/cc-pvdz calculations with all π-orbitals in the active space. Evaluations along the minimum energy path suggest that basis set corrections are negligible. The VRC-TST approach was also used to calculate the association rate constant and the corresponding number of states for the C 6H 5 + H → C 6H 6 exit channel of the C 3H 3 + C 3H 3 reaction, which is also barrierless. For this reaction, the interaction energies were evaluated with the CASPT2(2e,2o)/cc-pvdz method and a 1-D correction is included on the basis of CAS+1+2+QC/aug-cc-pvtz calculations for the CH 3 + H reference system. For the C 3H 3 + C 3H 3 reaction, the VRC-TST results for the energy and angular momentum resolved numbers of states in the entrance channels and in the C 6H 5 + H exit channel are incorporated in a master equation simulation to determine the temperature and pressure dependence of the phenomenological rate coefficients. The rate constants for the C 3H 3 + C 3H 3 and C 3H 5 + C 3H 5 self-reactions compare favorably

Visual Impairment and Blindness in Adults in the United States: Demographic and Geographic Variations From 2015 to 2050.

PubMed

Varma, Rohit; Vajaranant, Thasarat S; Burkemper, Bruce; Wu, Shuang; Torres, Mina; Hsu, Chunyi; Choudhury, Farzana; McKean-Cowdin, Roberta

2016-07-01

The number of individuals with visual impairment (VI) and blindness is increasing in the United States and around the globe as a result of shifting demographics and aging populations. Tracking the number and characteristics of individuals with VI and blindness is especially important given the negative effect of these conditions on physical and mental health. To determine the demographic and geographic variations in VI and blindness in adults in the US population in 2015 and to estimate the projected prevalence through 2050. In this population-based, cross-sectional study, data were pooled from adults 40 years and older from 6 major population-based studies on VI and blindness in the United States. Prevalence of VI and blindness were reported by age, sex, race/ethnicity, and per capita prevalence by state using the US Census projections (January 1, 2015, through December 31, 2050). Prevalence of VI and blindness. In 2015, a total of 1.02 million people were blind, and approximately 3.22 million people in the United States had VI (best-corrected visual acuity in the better-seeing eye), whereas up to 8.2 million people had VI due to uncorrected refractive error. By 2050, the numbers of these conditions are projected to double to approximately 2.01 million people with blindness, 6.95 million people with VI, and 16.4 million with VI due to uncorrected refractive error. The highest numbers of these conditions in 2015 were among non-Hispanic white individuals (2.28 million), women (1.84 million), and older adults (1.61 million), and these groups will remain the most affected through 2050. However, African American individuals experience the highest prevalence of visual impairment and blindness. By 2050, the highest prevalence of VI among minorities will shift from African American individuals (15.2% in 2015 to 16.3% in 2050) to Hispanic individuals (9.9% in 2015 to 20.3% in 2050). From 2015 to 2050, the states projected to have the highest per capita prevalence of VI are

Effects of dyes, gold nanocrystals, pH, and metal ions on plasmonic and molecular resonance coupling.

PubMed

Ni, Weihai; Chen, Huanjun; Su, Jing; Sun, Zhenhua; Wang, Jianfang; Wu, Hongkai

2010-04-07

The effects of various factors on the resonance coupling between elongated Au nanocrystals and organic dyes have been systematically investigated through the preparation of hybrid nanostructures between Au nanocrystals and the electrostatically adsorbed dye molecules. A nanocrystal sample is chosen for each dye to match the longitudinal plasmon resonance wavelength with the absorption peak wavelength of the dye as close as possible so that the resonance coupling strength can be maximized. The resonance coupling strength is found to approximately increase as the molecular volume-normalized absorptivity is increased. It is mainly determined by the plasmon resonance energy of the Au nanocrystals instead of their shapes and sizes. Moreover, the resonance coupling can be reversibly controlled if the dye in the hybrid nanostructures is pH-sensitive. The coupling can also be weakened in the presence of metal ions. These results will be highly useful for designing resonance coupling-based sensing devices and for plasmon-enhanced spectroscopy.

1H magnetic resonance spectroscopy of invasive cervical cancer: an in vivo study with ex vivo corroboration.

PubMed

Mahon, Marrita M; Williams, Andreanna D; Soutter, W Patrick; Cox, I Jane; McIndoe, G Angus; Coutts, Glyn A; Dina, Roberto; deSouza, Nandita M

2004-02-01

The objective of this study was to establish in vivo (1)H-magnetic resonance (MR) spectroscopic appearances of cervical cancer using an endovaginal receiver coil and corroborate findings with magic angle spinning (MAS) MR spectroscopy of tissue samples. Fifty-three women (14 controls and 39 with cervical cancer) underwent endovaginal coil MR imaging at 1.5 T with T(1)- and T(2)-weighted scans sagittal and transverse to the cervix. Localized (1)H MR spectra (PRESS technique, TR 1600 ms, TE 135 ms) were accumulated in all controls and 29 cancer patients whose tumour filled > 50% of a single 3.4 cm(3) voxel. Peaks from triglyceride-CH(2) and -CH(3) were defined as present and in-phase (with the choline resonance), present but out-of-phase, or not present. Peak areas of choline-containing compounds were standardized to the area of unsuppressed tissue water resonance. Comparisons in observed resonances between groups were made using Fisher's exact test (qualitative data) and a t-test (quantitative data). Biopsies from these women analysed using MAS-MR spectroscopy and normalized to the intensity of an external standard of silicone rubber were similarly compared. Adequate water suppression permitted spectral analysis in 11 controls and 27 cancer patients. In-phase triglyceride-CH(2) resonances (1.3 ppm) were observed in 74% of tumours but in no control women (p < 0.001). No differences were observed in the presence of a 2 ppm resonance, choline-containing compounds or creatine in cancer compared with control women. However, ex vivo analysis showed significant differences not only in -CH(2), but also in -CH(3), a 2 ppm resonance, choline-containing compounds and creatine between tissues from control women and cancer tissue (p < 0.001, = 0.001, = 0.036, < 0.001 and = 0.004 respectively). On in vivo (1)H-MR spectroscopy, the presence of positive triglyceride-CH(2) resonances can be used to detect and confirm the presence of cervical cancer. However, technical improvements

Higgs–photon resonances

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

Dobrescu, Bogdan A.; Fox, Patrick J.; Kearney, John

We study models that produce a Higgs boson plus photon (more » $$h^0 \\gamma$$) resonance at the LHC. When the resonance is a $Z'$ boson, decays to $$h^0 \\gamma$$ occur at one loop. If the $Z'$ boson couples at tree-level to quarks, then the $$h^0 \\gamma$$ branching fraction is typically of order $$10^{-5}$$ or smaller. Nevertheless, there are models that would allow the observation of $$Z' \\to h^0 \\gamma$$ at $$\\sqrt{s} = 13$$ TeV with a cross section times branching fraction larger than 1 fb for a $Z'$ mass in the 200--450 GeV range, and larger than 0.1 fb for a mass up to 800 GeV. The 1-loop decay of the $Z'$ into lepton pairs competes with $$h^0 \\gamma$$, even if the $Z'$ couplings to leptons vanish at tree level. We also present a model in which a $Z'$ boson decays into a Higgs boson and a pair of collimated photons, mimicking an $$h^0 \\gamma$$ resonance. In this model, the $$h^0 \\gamma$$ resonance search would be the discovery mode for a $Z'$ as heavy as 2 TeV. When the resonance is a scalar, although decay to $$h^0 \\gamma$$ is forbidden by angular momentum conservation, the $h^0$ plus collimated photons channel is allowed. Here, we comment on prospects of observing an $$h^0 \\gamma$$ resonance through different Higgs decays, on constraints from related searches, and on models where $h^0$ is replaced by a nonstandard Higgs boson.« less

Higgs–photon resonances

DOE PAGES

Dobrescu, Bogdan A.; Fox, Patrick J.; Kearney, John

2017-10-24

We study models that produce a Higgs boson plus photon (more » $$h^0 \\gamma$$) resonance at the LHC. When the resonance is a $Z'$ boson, decays to $$h^0 \\gamma$$ occur at one loop. If the $Z'$ boson couples at tree-level to quarks, then the $$h^0 \\gamma$$ branching fraction is typically of order $$10^{-5}$$ or smaller. Nevertheless, there are models that would allow the observation of $$Z' \\to h^0 \\gamma$$ at $$\\sqrt{s} = 13$$ TeV with a cross section times branching fraction larger than 1 fb for a $Z'$ mass in the 200--450 GeV range, and larger than 0.1 fb for a mass up to 800 GeV. The 1-loop decay of the $Z'$ into lepton pairs competes with $$h^0 \\gamma$$, even if the $Z'$ couplings to leptons vanish at tree level. We also present a model in which a $Z'$ boson decays into a Higgs boson and a pair of collimated photons, mimicking an $$h^0 \\gamma$$ resonance. In this model, the $$h^0 \\gamma$$ resonance search would be the discovery mode for a $Z'$ as heavy as 2 TeV. When the resonance is a scalar, although decay to $$h^0 \\gamma$$ is forbidden by angular momentum conservation, the $h^0$ plus collimated photons channel is allowed. Here, we comment on prospects of observing an $$h^0 \\gamma$$ resonance through different Higgs decays, on constraints from related searches, and on models where $h^0$ is replaced by a nonstandard Higgs boson.« less

Mercury from wildfires: Global emission inventories and sensitivity to 2000-2050 global change

NASA Astrophysics Data System (ADS)

Kumar, Aditya; Wu, Shiliang; Huang, Yaoxian; Liao, Hong; Kaplan, Jed O.

2018-01-01

We estimate the global Hg wildfire emissions for the 2000s and the potential impacts from the 2000-2050 changes in climate, land use and land cover and Hg anthropogenic emissions by combining statistical analysis with global data on vegetation type and coverage as well as fire activities. Global Hg wildfire emissions are estimated to be 612 Mg year-1. Africa is the dominant source region (43.8% of global emissions), followed by Eurasia (31%) and South America (16.6%). We find significant perturbations to wildfire emissions of Hg in the context of global change, driven by the projected changes in climate, land use and land cover and Hg anthropogenic emissions. 2000-2050 climate change could increase Hg emissions by 14% globally and regionally by 18% for South America, 14% for Africa and 13% for Eurasia. Projected changes in land use by 2050 could decrease the global Hg emissions from wildfires by 13% mainly driven by a decline in African emissions due to significant agricultural land expansion. Future land cover changes could lead to significant increases in Hg emissions over some regions (+32% North America, +14% Africa, +13% Eurasia). Potential enrichment of terrestrial ecosystems in 2050 in response to changes in Hg anthropogenic emissions could increase Hg wildfire emissions globally (+28%) and regionally (+19% North America, +20% South America, +24% Africa, +41% Eurasia). Our results indicate that the future evolution of climate, land use and land cover and Hg anthropogenic emissions are all important factors affecting Hg wildfire emissions in the coming decades.

Future trends of global atmospheric antimony emissions from anthropogenic activities until 2050

NASA Astrophysics Data System (ADS)

Zhou, Junrui; Tian, Hezhong; Zhu, Chuanyong; Hao, Jiming; Gao, Jiajia; Wang, Yong; Xue, Yifeng; Hua, Shenbin; Wang, Kun

2015-11-01

This paper presents the scenario forecast of global atmospheric antimony (Sb) emissions from anthropogenic activities till 2050. The projection scenarios are built based on the comprehensive global antimony emission inventory for the period 1995-2010 which is reported in our previous study. Three scenarios are set up to investigate the future changes of global antimony emissions as well as their source and region contribution characteristics. Trends of activity levels specified as 5 primary source categories are projected by combining the historical trend extrapolation with EIA International energy outlook 2013, while the source-specific dynamic emission factors are determined by applying transformed normal distribution functions. If no major changes in the efficiency of emission control are introduced and keep current air quality legislations (Current Legislation scenario), global antimony emissions will increase by a factor of 2 between 2010 and 2050. The largest increase in Sb emissions is projected from Asia due to large volume of nonferrous metals production and waste incineration. In case of enforcing the pollutant emission standards (Strengthened Control scenario), global antimony emissions in 2050 will stabilize with that of 2010. Moreover, we can anticipate further declines in Sb emissions for all continents with the best emission control performances (Maximum Feasible Technological Reduction scenario). Future antimony emissions from the top 10 largest emitting countries have also been calculated and source category contributions of increasing emissions of these countries present significant diversity. Furthermore, global emission projections in 2050 are distributed within a 1° × 1°latitude/longitude grid. East Asia, Western Europe and North America present remarkable differences in emission intensity under the three scenarios, which implies that source-and-country specific control measures are necessary to be implemented for abating Sb emissions from

Estimating Greenhouse Gas (GHG) Emissions in 2050 from New Buildings in California

NASA Astrophysics Data System (ADS)

Beardsley, K.; Thorne, J. H.; Quinn, J. F.

2009-12-01

A major contributor to global warming is Greenhouse Gas (GHG) emissions, with carbon dioxide (CO2) as the lead constituent. While the United States has failed to take a leadership role in worldwide efforts to reduce global warming, California has implemented some of the strictest reduction goals in the country. Recent legislation in California requires significant GHG emission reductions in the coming decades to meet state-mandated targets. To better understand the relative contribution of urban growth to these emissions, we applied an Energy and GHG Impacts Calculator (referred to as “GHG Calculator”) to estimate GHG contributions for two statewide population growth scenarios for the year 2050. Implemented as part of the UPlan urban growth model, the GHG Calculator allows users to predict and compare GHG output from new development. In this paper, two scenarios, differing only in the spatial allocation of housing among zoning categories, are developed and tested for the year 2050 in California. The difference in total GHG emissions between these scenarios was less than 1%. Thus, while “smart growth” may be desirable for a variety of other reasons, the policy impact of the sprawl footprint per se on fixed-source GHG emissions is likely to be far less than effects from other factors, such as insulation and household energy efficiency. The GHG Calculator allows alternative emission-reducing measures to be tested, including modified energy mixes (e.g. a greater percent of renewable sources and lower carbon-based fuels) and conservation measures. The goal is to approximate 2050 emissions and determine what measures are needed to achieve the 2050 goal set by the Governor of California to help decrease the State’s overall contribution to global warming.

4H Leukodystrophy: A Brain Magnetic Resonance Imaging Scoring System.

PubMed

Vrij-van den Bos, Suzanne; Hol, Janna A; La Piana, Roberta; Harting, Inga; Vanderver, Adeline; Barkhof, Frederik; Cayami, Ferdy; van Wieringen, Wessel N; Pouwels, Petra J W; van der Knaap, Marjo S; Bernard, Geneviève; Wolf, Nicole I

2017-06-01

4H (hypomyelination, hypodontia and hypogonadotropic hypogonadism) leukodystrophy (4H) is an autosomal recessive hypomyelinating white matter (WM) disorder with neurologic, dental, and endocrine abnormalities. The aim of this study was to develop and validate a magnetic resonance imaging (MRI) scoring system for 4H. A scoring system (0-54) was developed to quantify hypomyelination and atrophy of different brain regions. Pons diameter and bicaudate ratio were included as measures of cerebral and brainstem atrophy, and reference values were determined using controls. Five independent raters completed the scoring system in 40 brain MRI scans collected from 36 patients with genetically proven 4H. Interrater reliability (IRR) and correlations between MRI scores, age, gross motor function, gender, and mutated gene were assessed. IRR for total MRI severity was found to be excellent (intraclass correlation coefficient: 0.87; 95% confidence interval: 0.80-0.92) but varied between different items with some (e.g., myelination of the cerebellar WM) showing poor IRR. Atrophy increased with age in contrast to hypomyelination scores. MRI scores (global, hypomyelination, and atrophy scores) significantly correlated with clinical handicap ( p  < 0.01 for all three items) and differed between the different genotypes. Our 4H MRI scoring system reliably quantifies hypomyelination and atrophy in patients with 4H, and MRI scores reflect clinical disease severity. Georg Thieme Verlag KG Stuttgart · New York.

The Infrared Spectrum of Isotopomers of the TeH Radical, Observed by CO Laser Magnetic Resonance

NASA Astrophysics Data System (ADS)

Gillett, D. A.; Towle, J. P.; Islam, M.; Brown, J. M.

1994-02-01

The infrared spectrum of the TeH radical in its X2Π state has been recorded using an intracavity CO laser magnetic resonance (LMR) spectrometer. Seven of the eight naturally occurring Te isotopomers were observed, with resonances originating from the first three vibrational levels; many were recorded as Lamb-dips. These observations have been combined with existing data for TeH and TeD in the X2Π state and used to determine the parameters of an N 2 Hamiltonian, including isotopic scaling and nonadiabatic corrections. The data are well described by the parameters. The different isotopic dependences of the effects of the parameters A D and γ has allowed their separation and the extent to which TeH shows Hund's case (c) coupling is discussed. Trends displayed by the chalcogen monohydrides are considered.

Resonance Raman spectra of an O2-binding H-NOX domain reveal heme relaxation upon mutation.

PubMed

Tran, Rosalie; Boon, Elizabeth M; Marletta, Michael A; Mathies, Richard A

2009-09-15

Resonance Raman spectra were measured for the wild type Heme-Nitric oxide/OXygen binding domain from Thermoanaerobacter tengcongensis (Tt H-NOX WT) and three other Tt H-NOX proteins containing mutations at key conserved residues to determine the heme conformation in solution. The most dramatic changes in heme conformation occurred in the O2-bound forms, and the single Tt H-NOX P115A mutation was sufficient to generate a significant relaxation of the chromophore. Clear evidence of heme relaxation in the Tt H-NOX I5L, P115A, and I5L/P115A mutants in solution is demonstrated by the observation of reduced resonance Raman intensities for several out-of-plane low frequency modes (e.g., gamma11, gamma12, gamma13, and gamma15) in the 400-750 cm(-1) region known to be sensitive to ruffling and saddling deformations, as well as increased vibrational frequencies for the core heme skeletal stretching modes, nu3, nu2, and nu10. In addition, all three mutants exhibited some degree of heme conformational heterogeneity based on several broad skeletal markers (e.g., nu10) in the high frequency region. These results are comparable to those observed by Olea et al. for Tt H-NOX P115A in crystal form, where four different heme structures were determined from a single unit cell. On the basis of the resonance Raman spectra, it is clear that the actual heme conformation for Tt H-NOX P115A in solution is considerably more relaxed than that of the WT protein, with increased flexibility within the protein pocket, allowing for rapid sampling of alternate conformations.

Environmental and Developmental Risks and Stressors Impacting a 2050 Vision

EPA Science Inventory

A vision of what our water resources and environment may look like in the year 2050 must consider the increasing risks and stressors facing our planet. Recent papers, reports and books are used as the source and basis for identifying the range of future challenges facing the worl...

Planning Schools for 2050? First, Let's Get "Now" Right

ERIC Educational Resources Information Center

Hill, Franklin

2010-01-01

For 20 years, the author has promoted constructing today's schools with the future in mind, yet as many school districts begin planning for the year 2050, he is starting to think this foresight/forethought might actually be a distracting course of action. Some districts may try to plan so far into the future that they neglect the present. But,…

How Will Air Quality Change in South Asia by 2050?

NASA Astrophysics Data System (ADS)

Kumar, Rajesh; Barth, Mary C.; Pfister, G. G.; Delle Monache, L.; Lamarque, J. F.; Archer-Nicholls, S.; Tilmes, S.; Ghude, S. D.; Wiedinmyer, C.; Naja, M.; Walters, S.

2018-02-01

Exposure to unhealthy air causes millions of premature deaths and damages crops sufficient to feed a large portion of the South Asian population every year. However, little is known about how future air quality in South Asia will respond to changing human activities. Here we examine the combined effect of changes in climate and air pollutant emissions projected by the Representative Concentration Pathways (RCP) 8.5 and RCP6.0 on air quality of South Asia in 2050 using a state-of-the-science Nested Regional Climate model with Chemistry (NRCM-Chem). RCP8.5 and RCP6.0 are selected to represent scenarios of highest and lowest air pollution in South Asia by 2050. NRCM-Chem shows the ability to capture observed key features of variability in meteorological parameters, ozone and related gases, and aerosols. NRCM-Chem results show that surface ozone and particulate matter of less than 2.5 μm in diameter will increase significantly by midcentury in South Asia under the RCP8.5 but remain similar to present day under RCP6.0. No RCP suggest an improvement in air pollution in South Asia by midcentury. Under RCP8.5, the frequency of air pollution events is predicted to increase by 20-120 days per year in 2050 compared to the present-day conditions, with particulate matter of less than 2.5 μm in diameter predicted to breach the World Health Organization ambient air quality guidelines on an almost daily basis in many parts of South Asia. These results indicate that while the RCP scenarios project a global improvement in air quality, they generally result in degrading air quality in South Asia.

Emissions from international shipping: 2. Impact of future technologies on scenarios until 2050

NASA Astrophysics Data System (ADS)

Eyring, V.; KöHler, H. W.; Lauer, A.; Lemper, B.

2005-09-01

In this study the today's fleet-average emission factors of the most important ship exhausts are used to calculate emission scenarios for the future. To develop plausible future technology scenarios, first upcoming regulations and compliance with future regulations through technological improvements are discussed. We present geographically resolved emission inventory scenarios until 2050, based on a mid-term prognosis for 2020 and a long-term prognosis for 2050. The scenarios are based on some very strict assumptions on future ship traffic demands and technological improvements. The four future ship traffic demand scenarios are mainly determined by the economic growth, which follows the IPCC SRES storylines. The resulting fuel consumption is projected through extrapolations of historical trends in economic growth, total seaborne trade and number of ships, as well as the average installed power per ship. For the future technology scenarios we assume a diesel-only fleet in 2020 resulting in fuel consumption between 382 and 409 million metric tons (Mt). For 2050 one technology scenario assumes that 25% of the fuel consumed by a diesel-only fleet can be saved by applying future alternative propulsion plants, resulting in a fuel consumption that varies between 402 and 543 Mt. The other scenario is a business-as-usual scenario for a diesel-only fleet even in 2050 and gives an estimate between 536 and 725 Mt. Dependent on how rapid technology improvements for diesel engines are introduced, possible technology reduction factors are applied to the today's fleet-average emission factors of all important species to estimate future ship emissions. Combining the four traffic demand scenarios with the four technology scenarios, our results suggest emissions between 8.8 and 25.0 Tg (NO2) in 2020, and between 3.1 to 38.8 Tg (NO2) in 2050. The development of forecast scenarios for CO2, NOx, SOx, CO, hydrocarbons, and particulate matter is driven by the requirements for global model

Forest biomass carbon stocks and variation in Tibet's carbon-dense forests from 2001 to 2050.

PubMed

Sun, Xiangyang; Wang, Genxu; Huang, Mei; Chang, Ruiying; Ran, Fei

2016-10-05

Tibet's forests, in contrast to China's other forests, are characterized by primary forests, high carbon (C) density and less anthropogenic disturbance, and they function as an important carbon pool in China. Using the biomass C density data from 413 forest inventory sites and a spatial forest age map, we developed an allometric equation for the forest biomass C density and forest age to assess the spatial biomass C stocks and variation in Tibet's forests from 2001 to 2050. The results indicated that the forest biomass C stock would increase from 831.1 Tg C in 2001 to 969.4 Tg C in 2050, with a net C gain of 3.6 Tg C yr -1 between 2001 and 2010 and a decrease of 1.9 Tg C yr -1 between 2040 and 2050. Carbon tends to allocate more in the roots of fir forests and less in the roots of spruce and pine forests with increasing stand age. The increase of the biomass carbon pool does not promote significant augmentation of the soil carbon pool. Our findings suggest that Tibet's mature forests will remain a persistent C sink until 2050. However, afforestation or reforestation, especially with the larger carbon sink potential forest types, such as fir and spruce, should be carried out to maintain the high C sink capacity.

Water footprint scenarios for 2050: a global analysis.

PubMed

Ercin, A Ertug; Hoekstra, Arjen Y

2014-03-01

This study develops water footprint scenarios for 2050 based on a number of drivers of change: population growth, economic growth, production/trade pattern, consumption pattern (dietary change, bioenergy use) and technological development. The objective the study is to understand the changes in the water footprint (WF) of production and consumption for possible futures by region and to elaborate the main drivers of this change. In addition, we assess virtual water flows between the regions of the world to show dependencies of regions on water resources in other regions under different possible futures. We constructed four scenarios, along two axes, representing two key dimensions of uncertainty: globalization versus regional selfsufficiency, and economy-driven development versus development driven by social and environmental objectives. The study shows how different drivers will change the level of water consumption and pollution globally in 2050. The presented scenarios can form a basis for a further assessment of how humanity can mitigate future freshwater scarcity. We showed with this study that reducing humanity's water footprint to sustainable levels is possible even with increasing populations, provided that consumption patterns change. This study can help to guide corrective policies at both national and international levels, and to set priorities for the years ahead in order to achieve sustainable and equitable use of the world's fresh water resources. Copyright © 2013 Elsevier Ltd. All rights reserved.

Scattering resonances in bimolecular collisions between NO radicals and H2 challenge the theoretical gold standard

NASA Astrophysics Data System (ADS)

Vogels, Sjoerd N.; Karman, Tijs; Kłos, Jacek; Besemer, Matthieu; Onvlee, Jolijn; van der Avoird, Ad; Groenenboom, Gerrit C.; van de Meerakker, Sebastiaan Y. T.

2018-02-01

Over the last 25 years, the formalism known as coupled-cluster (CC) theory has emerged as the method of choice for the ab initio calculation of intermolecular interaction potentials. The implementation known as CCSD(T) is often referred to as the gold standard in quantum chemistry. It gives excellent agreement with experimental observations for a variety of energy-transfer processes in molecular collisions, and it is used to calibrate density functional theory. Here, we present measurements of low-energy collisions between NO radicals and H2 molecules with a resolution that challenges the most sophisticated quantum chemistry calculations at the CCSD(T) level. Using hitherto-unexplored anti-seeding techniques to reduce the collision energy in a crossed-beam inelastic-scattering experiment, a resonance structure near 14 cm-1 is clearly resolved in the state-to-state integral cross-section, and a unique resonance fingerprint is observed in the corresponding differential cross-section. This resonance structure discriminates between two NO-H2 potentials calculated at the CCSD(T) level and pushes the required accuracy beyond the gold standard.

Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations.

PubMed

Webber, Amy L; Elena, Bénédicte; Griffin, John M; Yates, Jonathan R; Pham, Tran N; Mauri, Francesco; Pickard, Chris J; Gil, Ana M; Stein, Robin; Lesage, Anne; Emsley, Lyndon; Brown, Steven P

2010-07-14

A disaccharide is a challenging case for high-resolution (1)H solid-state NMR because of the 24 distinct protons (14 aliphatic and 10 OH) having (1)H chemical shifts that all fall within a narrow range of approximately 3 to 7 ppm. High-resolution (1)H (500 MHz) double-quantum (DQ) combined rotation and multiple pulse sequence (CRAMPS) solid-state NMR spectra of beta-maltose monohydrate are presented. (1)H-(1)H DQ-SQ CRAMPS spectra are presented together with (1)H (DQ)-(13)C correlation spectra obtained with a new pulse sequence that correlates a high-resolution (1)H DQ dimension with a (13)C single quantum (SQ) dimension using the refocused INEPT pulse-sequence element to transfer magnetization via one-bond (13)C-(1)H J couplings. Compared to the observation of only a single broad peak in a (1)H DQ spectrum recorded at 30 kHz magic-angle spinning (MAS), the use of DUMBO (1)H homonuclear decoupling in the (1)H DQ CRAMPS experiment allows the resolution of distinct DQ correlation peaks which, in combination with first-principles chemical shift calculations based on the GIPAW (Gauge Including Projector Augmented Waves) plane-wave pseudopotential approach, enables the assignment of the (1)H resonances to the 24 distinct protons. We believe this to be the first experimental solid-state NMR determination of the hydroxyl OH (1)H chemical shifts for a simple sugar. Variable-temperature (1)H-(1)H DQ CRAMPS spectra reveal small increases in the (1)H chemical shifts of the OH resonances upon decreasing the temperature from 348 K to 248 K.

Planetary Science Exploration Through 2050: Strategic Gaps in Commercial and International Partnerships

NASA Astrophysics Data System (ADS)

Ghosh, A.

2017-02-01

Planetary science will see greater participation from the commercial sector and international space agencies. It is critical to understand how these entities can partner with NASA through 2050 and help realize NASA's goals in planetary science.

Impact of increasing heat waves on U.S. ozone episodes in the 2050s: Results from a multimodel analysis using extreme value theory

NASA Astrophysics Data System (ADS)

Shen, L.; Mickley, L. J.; Gilleland, E.

2016-04-01

We develop a statistical model using extreme value theory to estimate the 2000-2050 changes in ozone episodes across the United States. We model the relationships between daily maximum temperature (Tmax) and maximum daily 8 h average (MDA8) ozone in May-September over 2003-2012 using a Point Process (PP) model. At ~20% of the sites, a marked decrease in the ozone-temperature slope occurs at high temperatures, defined as ozone suppression. The PP model sometimes fails to capture ozone-Tmax relationships, so we refit the ozone-Tmax slope using logistic regression and a generalized Pareto distribution model. We then apply the resulting hybrid-extreme value theory model to projections of Tmax from an ensemble of downscaled climate models. Assuming constant anthropogenic emissions at the present level, we find an average increase of 2.3 d a-1 in ozone episodes (>75 ppbv) across the United States by the 2050s, with a change of +3-9 d a-1 at many sites.

40 CFR 35.2050 - Effect of approval or certification of documents.

Code of Federal Regulations, 2010 CFR

2010-07-01

... OTHER FEDERAL ASSISTANCE STATE AND LOCAL ASSISTANCE Grants for Construction of Treatment Works § 35.2050 Effect of approval or certification of documents. Review or approval of facilities plans, design drawings... relieve the grantee of its responsibility to properly plan, design, build and effectively operate and...

Hyperpolarized Amino Acid Derivatives as Multivalent Magnetic Resonance pH Sensor Molecules.

PubMed

Hundshammer, Christian; Düwel, Stephan; Ruseckas, David; Topping, Geoffrey; Dzien, Piotr; Müller, Christoph; Feuerecker, Benedikt; Hövener, Jan B; Haase, Axel; Schwaiger, Markus; Glaser, Steffen J; Schilling, Franz

2018-02-15

pH is a tightly regulated physiological parameter that is often altered in diseased states like cancer. The development of biosensors that can be used to non-invasively image pH with hyperpolarized (HP) magnetic resonance spectroscopic imaging has therefore recently gained tremendous interest. However, most of the known HP-sensors have only individually and not comprehensively been analyzed for their biocompatibility, their pH sensitivity under physiological conditions, and the effects of chemical derivatization on their logarithmic acid dissociation constant (p K a ). Proteinogenic amino acids are biocompatible, can be hyperpolarized and have at least two pH sensitive moieties. However, they do not exhibit a pH sensitivity in the physiologically relevant pH range. Here, we developed a systematic approach to tailor the p K a of molecules using modifications of carbon chain length and derivatization rendering these molecules interesting for pH biosensing. Notably, we identified several derivatives such as [1- 13 C]serine amide and [1- 13 C]-2,3-diaminopropionic acid as novel pH sensors. They bear several spin-1/2 nuclei ( 13 C, 15 N, 31 P) with high sensitivity up to 4.8 ppm/pH and we show that 13 C spins can be hyperpolarized with dissolution dynamic polarization (DNP). Our findings elucidate the molecular mechanisms of chemical shift pH sensors that might help to design tailored probes for specific pH in vivo imaging applications.

Search for new resonances decaying into boosted W, Z and H bosons at CMS

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

Krohn, Michael; Vernieri, Caterina

2017-10-05

An overview of the searches for new heavy resonances decaying to standard model (SM) bosons at the TeV mass scale is presented. Results are based on data corresponding to an integrated luminosity up to aboutmore » $$36\\; \\mathrm{fb}^{-1}$$ recorded in proton-proton collisions at $$\\sqrt{s}=13$$ TeV with the CMS detector at the Large Hadron Collider at CERN. The bosons coming from the resonance decay can be W, Z, or the SM Higgs. For very heavy resonances, bosons are produced with momentum considerably higher than their mass, modifying in a very appreciable way the event topology. The quarks originated from the hadronic decay of the SM bosons will be collimated into a smaller area such that they are clustered within a single large cone jet. Dedicated reconstruction techniques are used to distinguish the merged decay products of W, Z and H bosons produced with high transverse momentum, from jets that originate from single partons.« less

Forest biomass carbon stocks and variation in Tibet’s carbon-dense forests from 2001 to 2050

PubMed Central

Sun, Xiangyang; Wang, Genxu; Huang, Mei; Chang, Ruiying; Ran, Fei

2016-01-01

Tibet’s forests, in contrast to China’s other forests, are characterized by primary forests, high carbon (C) density and less anthropogenic disturbance, and they function as an important carbon pool in China. Using the biomass C density data from 413 forest inventory sites and a spatial forest age map, we developed an allometric equation for the forest biomass C density and forest age to assess the spatial biomass C stocks and variation in Tibet’s forests from 2001 to 2050. The results indicated that the forest biomass C stock would increase from 831.1 Tg C in 2001 to 969.4 Tg C in 2050, with a net C gain of 3.6 Tg C yr−1 between 2001 and 2010 and a decrease of 1.9 Tg C yr−1 between 2040 and 2050. Carbon tends to allocate more in the roots of fir forests and less in the roots of spruce and pine forests with increasing stand age. The increase of the biomass carbon pool does not promote significant augmentation of the soil carbon pool. Our findings suggest that Tibet’s mature forests will remain a persistent C sink until 2050. However, afforestation or reforestation, especially with the larger carbon sink potential forest types, such as fir and spruce, should be carried out to maintain the high C sink capacity. PMID:27703215

Human Parasitology and Parasitic Diseases: Heading Towards 2050.

PubMed

Hotez, Peter J

2018-01-01

By 2050 our civilized planet may be comprised predominantly of networked megacities embedded in warm subtropical and tropical climates, and under stress from climate change and catastrophic weather events. Urban slum areas in these cities, including those found in wealthier middle- and high-income nations (blue marble health), will be especially vulnerable to disease. Moreover, regional conflicts fought over shifting and limited resources, including water, will collapse health systems infrastructures to further promote disease emergence and reemergence. Thus while by 2050 we might congratulate ourselves for successfully eliminating some key parasitic and neglected tropical diseases such as dracunculiasis, lymphatic filariasis, onchocerciasis, and human African trypanosomiasis, there could be a commensurate rise in other parasitic diseases based on the scenarios highlighted above. Of particular concern are urban and newly urbanized helminth infections, including schistosomiasis and some soil-transmitted helminth infections, as well zoonotic helminthiases, such as toxocariasis, food-borne trematodiases, and cysticercosis. Protozoan infections persisting in urban environments, including leishmaniasis, Chagas disease, malaria, and intestinal protozoan infections, will also remain, as will zoonotic diseases such as toxoplasmosis. Our best hope to counteract the parasitic diseases emerging in our steaming 21st century megacities is to develop new and innovative technologies through gene editing, systems biology, and immunology, and the new single-celled OMICs. However, success on this front will require our ability to contain the globalization of antiscience beliefs and sentiments. © 2018 Elsevier Ltd All rights reserved.

Electron Spin Resonance in CuSO45H2O down to 100 mK

NASA Astrophysics Data System (ADS)

Kadowaki, Kazuo; Chiba, Yoshiaki; Kindo, Koichi; Date, Muneyuki

1988-12-01

Copper sulfate pentahydrate CuSO45H2O is investigated by ESR at 9, 17, 24, 35 and 50 GHz regions down to about 100 mK using a combined cryostat of 3He and adiabatic demagnetization. The temperature dependent exchange interaction JAB between inequivalent site spins A and B is found. It is about 0.11 K at room temperature and increases with decreasing temperature up to 0.24 K. Temperature dependent resonance shifts are attributed to the exchange shift coming from non-resonant dissimilar spins. Partial order effect below 1 K is discussed.

Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering

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

Eckert, Sebastian; Norell, Jesper; Miedema, Piter S.

Here, the femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort timescale.

Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering

DOE PAGES

Eckert, Sebastian; Norell, Jesper; Miedema, Piter S.; ...

2017-04-04

Here, the femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort timescale.

Tunable plasmon-induced transparency effect based on self-asymmetric H-shaped resonators meta-atoms

NASA Astrophysics Data System (ADS)

Cheng, Zhaoxiang; Chen, Lin; Zang, Xiaofei; Cai, Bin; Peng, Yan; Zhu, Yiming

2015-03-01

We have proposed and demonstrated a tunable plasmon-induced transparency (PIT) effect from two ways, based on self-asymmetric H-shaped resonators (AHR) meta-atoms. The tunable PIT effect is realized via varying polarization angles and coupling distances. First, by proper design, transition from PIT mode to dipole mode is theoretically and experimentally demonstrated by simply adjusting the polarization angle. Also, the manipulation of ‘dark-mode’ resonance intensity from strong to weak is achieved by varying coupling strength with different distances, which provided insight into the magnetic coupling hybridization mechanism. Prospectively, due to its special tunable characteristics, the AHR meta-atoms may be widely used in slow light, filters and switch devices.

Moving toward energy security and sustainability in 2050 by reconfiguring biofuel production

USDA-ARS?s Scientific Manuscript database

To achieve energy security and sustainability by 2050 requires reconfiguring biofuel production both by building on current infrastructure and existing technology and also by making substantial improvements and changes in the feedstocks used, the process technologies applied, and the fuels produced....

Smart Grids and their Applicability for the Development of the Electricity Sector for Colombia in the year 2050

NASA Astrophysics Data System (ADS)

Viola, J.; Aceros, C.

2016-07-01

Smart Grids are a technology that can be used to implement a sustainable energy scheme of a country. Therefore, this paper proposes the development of a prospective analysis of Smart Grids as a tool to ensure energetic security in Colombia in 2050. Using LEAP software, a base scenario for Colombian energy demand has developed according to current policies, with a time horizon from 2012 to 2050. The energy analysis is based on three scenarios, taking into account the impact of cogeneration in the residential and industrial sector using renewable energy and the power quality indicators. The results show that the implementation of Smart Grids generate energy savings and increasing the coverage of the national electricity system, ensuring energetic security of the country by 2050.

Agricultural implications of providing soil-based constraints on urban expansion: Land use forecasts to 2050.

PubMed

Smidt, Samuel J; Tayyebi, Amin; Kendall, Anthony D; Pijanowski, Bryan C; Hyndman, David W

2018-07-01

Urbanization onto adjacent farmlands directly reduces the agricultural area available to meet the resource needs of a growing society. Soil conservation is a common objective in urban planning, but little focus has been placed on targeting soil value as a metric for conservation. This study assigns commodity and water storage values to the agricultural soils across all of the watersheds in Michigan's Lower Peninsula to evaluate how cities might respond to a soil conservation-based urbanization strategy. Land Transformation Model (LTM) simulations representing both traditional and soil conservation-based urbanization, are used to forecast urban area growth from 2010 to 2050 at five year intervals. The expansion of urban areas onto adjacent farmland is then evaluated to quantify the conservation effects of soil-based development. Results indicate that a soil-based protection strategy significantly conserves total farmland, especially more fertile soils within each soil type. In terms of revenue, ∼$88 million (in current dollars) would be conserved in 2050 using soil-based constraints, with the projected savings from 2011 to 2050 totaling more than $1.5 billion. Soil-based urbanization also increased urban density for each major metropolitan area. For example, there were 94,640 more acres directly adjacent to urban land by 2050 under traditional development compared to the soil-based urbanization strategy, indicating that urban sprawl was more tightly contained when including soil value as a metric to guide development. This study indicates that implementing a soil-based urbanization strategy would better satisfy future agricultural resource needs than traditional urban planning. Copyright © 2018. Published by Elsevier Ltd.

Role of fuel carbon intensity in achieving 2050 greenhouse gas reduction goals within the light-duty vehicle sector.

PubMed

Melaina, M; Webster, K

2011-05-01

Recent U.S. climate change policy developments include aggressive proposals to reduce greenhouse gas emissions, including cap-and-trade legislation with a goal of an 83% reduction below 2005 levels by 2050. This study examines behavioral and technological changes required to achieve this reduction within the light-duty vehicle (LDV) sector. Under this "fair share" sectoral assumption, aggressive near-term actions are necessary in three areas: vehicle miles traveled (VMT), vehicle fuel economy (FE), and fuel carbon intensity (FCI). Two generic scenarios demonstrate the important role of FCI in meeting the 2050 goal. The first scenario allows deep reductions in FCI to compensate for relatively modest FE improvements and VMT reductions. The second scenario assumes optimistic improvements in FE, relatively large reductions in VMT and less aggressive FCI reductions. Each generic scenario is expanded into three illustrative scenarios to explore the theoretical implications of meeting the 2050 goal by relying exclusively on biofuels and hybrid vehicles, biofuels and plug-in hybrid vehicles, or hydrogen fuel cell electric vehicles. These scenarios inform a discussion of resource limitations, technology development and deployment challenges, and policy goals required to meet the 2050 GHG goal for LDVs.

Scattering Resonances in the Simplest Chemical Reaction

NASA Astrophysics Data System (ADS)

Fernandez-Alonso, Felix; Zare, Richard N.

2002-10-01

Recent studies of state-resolved angular distributions show the participation of reactive scattering resonances in the simplest chemical reaction. This review is intended for those who wish to learn about the state-of-the-art in the study of the H + H2 reaction family that has made this breakthrough possible. This review is also intended for those who wish to gain insight into the nature of reactive scattering resonances. Following a tour across several fields of physics and chemistry where the concept of resonance has been crucial for the understanding of new phenomena, we offer an operational definition and taxonomy of reactive scattering resonances. We introduce simple intuitive models to illustrate each resonance type. We focus next on the last decade of H + H2 reaction dynamics. Emphasis is placed on the various experimental approaches that have been applied to the search for resonance behavior in the H + H2 reaction family. We conclude by sketching the road ahead in the study of H + H2 reactive scattering resonances.

Assessment of potential biomass energy production in China towards 2030 and 2050

NASA Astrophysics Data System (ADS)

Zhao, Guangling

2018-01-01

The objective of this paper is to provide a more detailed picture of potential biomass energy production in the Chinese energy system towards 2030 and 2050. Biomass for bioenergy feedstocks comes from five sources, which are agricultural crop residues, forest residues and industrial wood waste, energy crops and woody crops, animal manure, and municipal solid waste. The potential biomass production is predicted based on the resource availability. In the process of identifying biomass resources production, assumptions are made regarding arable land, marginal land, crops yields, forest growth rate, and meat consumption and waste production. Four scenarios were designed to describe the potential biomass energy production to elaborate the role of biomass energy in the Chinese energy system in 2030. The assessment shows that under certain restrictions on land availability, the maximum potential biomass energy productions are estimated to be 18,833 and 24,901 PJ in 2030 and 2050.

Traversing the mountaintop: world fossil fuel production to 2050

PubMed Central

Nehring, Richard

2009-01-01

During the past century, fossil fuels—petroleum liquids, natural gas and coal—were the dominant source of world energy production. From 1950 to 2005, fossil fuels provided 85–93% of all energy production. All fossil fuels grew substantially during this period, their combined growth exceeding the increase in world population. This growth, however, was irregular, providing for rapidly growing per capita production from 1950 to 1980, stable per capita production from 1980 to 2000 and rising per capita production again after 2000. During the past half century, growth in fossil fuel production was essentially limited by energy demand. During the next half century, fossil fuel production will be limited primarily by the amount and characteristics of remaining fossil fuel resources. Three possible scenarios—low, medium and high—are developed for the production of each of the fossil fuels to 2050. These scenarios differ primarily by the amount of ultimate resources estimated for each fossil fuel. Total fossil fuel production will continue to grow, but only slowly for the next 15–30 years. The subsequent peak plateau will last for 10–15 years. These production peaks are robust; none of the fossil fuels, even with highly optimistic resource estimates, is projected to keep growing beyond 2050. World fossil fuel production per capita will thus begin an irreversible decline between 2020 and 2030. PMID:19770156

Traversing the mountaintop: world fossil fuel production to 2050.

PubMed

Nehring, Richard

2009-10-27

During the past century, fossil fuels--petroleum liquids, natural gas and coal--were the dominant source of world energy production. From 1950 to 2005, fossil fuels provided 85-93% of all energy production. All fossil fuels grew substantially during this period, their combined growth exceeding the increase in world population. This growth, however, was irregular, providing for rapidly growing per capita production from 1950 to 1980, stable per capita production from 1980 to 2000 and rising per capita production again after 2000. During the past half century, growth in fossil fuel production was essentially limited by energy demand. During the next half century, fossil fuel production will be limited primarily by the amount and characteristics of remaining fossil fuel resources. Three possible scenarios--low, medium and high--are developed for the production of each of the fossil fuels to 2050. These scenarios differ primarily by the amount of ultimate resources estimated for each fossil fuel. Total fossil fuel production will continue to grow, but only slowly for the next 15-30 years. The subsequent peak plateau will last for 10-15 years. These production peaks are robust; none of the fossil fuels, even with highly optimistic resource estimates, is projected to keep growing beyond 2050. World fossil fuel production per capita will thus begin an irreversible decline between 2020 and 2030.

40 CFR 158.2050 - Biochemical pesticides human health assessment data requirements table.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Biochemical pesticides human health... § 158.2050 Biochemical pesticides human health assessment data requirements table. (a) General. (1... table shows the data requirements for biochemical pesticides human health assessment. The test notes are...

40 CFR 158.2050 - Biochemical pesticides human health assessment data requirements table.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Biochemical pesticides human health... § 158.2050 Biochemical pesticides human health assessment data requirements table. (a) General. (1... table shows the data requirements for biochemical pesticides human health assessment. The test notes are...

40 CFR 158.2050 - Biochemical pesticides human health assessment data requirements table.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Biochemical pesticides human health... § 158.2050 Biochemical pesticides human health assessment data requirements table. (a) General. (1... table shows the data requirements for biochemical pesticides human health assessment. The test notes are...

40 CFR 158.2050 - Biochemical pesticides human health assessment data requirements table.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Biochemical pesticides human health... § 158.2050 Biochemical pesticides human health assessment data requirements table. (a) General. (1... table shows the data requirements for biochemical pesticides human health assessment. The test notes are...

40 CFR 158.2050 - Biochemical pesticides human health assessment data requirements table.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Biochemical pesticides human health... § 158.2050 Biochemical pesticides human health assessment data requirements table. (a) General. (1... table shows the data requirements for biochemical pesticides human health assessment. The test notes are...

Two forms of electrical resonance at theta frequencies, generated by M-current, h-current and persistent Na+ current in rat hippocampal pyramidal cells

PubMed Central

Hu, Hua; Vervaeke, Koen; Storm, Johan F

2002-01-01

Coherent network oscillations in the brain are correlated with different behavioural states. Intrinsic resonance properties of neurons provide a basis for such oscillations. In the hippocampus, CA1 pyramidal neurons show resonance at theta (θ) frequencies (2-7 Hz). To study the mechanisms underlying θ-resonance, we performed whole-cell recordings from CA1 pyramidal cells (n = 73) in rat hippocampal slices. Oscillating current injections at different frequencies (ZAP protocol), revealed clear resonance with peak impedance at 2-5 Hz at ≈33 °C (increasing to ≈7 Hz at ≈38 °C). The θ-resonance showed a U-shaped voltage dependence, being strong at subthreshold, depolarized (≈-60 mV) and hyperpolarized (≈-80 mV) potentials, but weaker near the resting potential (-72 mV). Voltage clamp experiments revealed three non-inactivating currents operating in the subthresold voltage range: (1) M-current (IM), which activated positive to -65 mV and was blocked by the M/KCNQ channel blocker XE991 (10 μm); (2) h-current (Ih), which activated negative to -65 mV and was blocked by the h/HCN channel blocker ZD7288 (10 μm); and (3) a persistent Na+ current (INaP), which activated positive to -65 mV and was blocked by tetrodotoxin (TTX, 1 μm). In current clamp, XE991 or TTX suppressed the resonance at depolarized, but not hyperpolarized membrane potentials, whereas ZD7288 abolished the resonance only at hyperpolarized potentials. We conclude that these cells show two forms of θ-resonance: ‘M-resonance’ generated by the M-current and persistent Na+ current in depolarized cells, and ‘H-resonance’ generated by the h-current in hyperpolarized cells. Computer simulations supported this interpretation. These results suggest a novel function for M/KCNQ channels in the brain: to facilitate neuronal resonance and network oscillations in cortical neurons, thus providing a basis for an oscillation-based neural code. PMID:12482886

Picturing the nurse-person/family/community process in the year 2050.

PubMed

Mitchell, Gail J

2007-01-01

How will nurses relate with persons in the year 2050? And, how might technology enable or limit the nursing process with persons, families, and communities? These are the questions addressed in this column. Imaging practice in light of the technological imaginings and projections is facilitated by a possible scenario that includes robotics that not only monitor human biological processes, they also emote compassion and caring that may one day be dosed according to the latest diagnostic prescription. Three nurses in this column present their views of how nursing might evolve. Karnick, aligned with the human becoming school of thought, imagines a practice anchored in respect for humanity and quality of life and an accompanying respect for nursing knowledge and nursing work. Senesac and Sato, aligned with Roy's adaptation model, call for nurses to envision and choose the future they want to have. Clear in both perspectives is a reverence for human values and human experience and for the critical role of nursing knowledge as we move toward the not-yet of 2050.

H6+ in irradiated solid para-hydrogen and its decay dynamics: reinvestigation of quartet electron paramagnetic resonance lines assigned to H2-.

PubMed

Kumada, Takayuki; Tachikawa, Hiroto; Takayanagi, Toshiyuki

2005-03-07

The quartet electron paramagnetic resonance (EPR) lines observed in gamma- and X-ray irradiated solid para-H2, which have previously been assigned to H2-, are reinvestigated. We have reassigned the quartet lines to H6 rather than H2- mainly due to comparison of experimentally obtained EPR parameters to theoretical results. Based on the new assignment, trapping site, rotation, ortho-para conversion, quantum diffusion and isotope effect of H+ have been reinterpreted by the precise reanalysis as follows. The H6+ ion is composed of the collinearly aligned H2+ core at the center and two H2 rotors at both ends, occupies a single substitutional site, and has a precession motion around a crystalline axis with the angle of approximately 57 degrees. The ortho-para conversion of H2+ core of H6+ is completed within the time-scale of hours, whereas ortho-H2 molecules near H6+ convert much faster. H6+ diffuses quantum mechanically by the repetition of H6+ + H2 --> H2 + H6+ reaction. The diffusion terminates by the reaction, H6(+) + HD --> H5D(+) + H2, with a HD impurity contained in the para-H2 sample at natural abundance. Finally, we will propose a possible reason why H6+ is produced instead of H3+ in the irradiated solid H2.

(1)H-magnetic resonance spectroscopy ((1)H-MRS) in methamphetamine dependence and methamphetamine induced psychosis.

PubMed

Howells, Fleur M; Uhlmann, Anne; Temmingh, Henk; Sinclair, Heidi; Meintjes, Ernesta; Wilson, Don; Stein, Dan J

2014-03-01

Methamphetamine (MA) use has been shown to decrease n-acetyl-aspartate (NAA), a marker of neuronal integrity and viability, on (1)H magnetic resonance spectroscopy ((1)H-MRS). However, little work has compared (1)H-MRS in MA dependent individuals and MA dependent individuals with MA induced psychotic disorder (MAP). Twenty six participants with MA dependence (sixteen without psychosis, ten with psychosis - MAP) and nineteen healthy controls underwent 2D-chemical shift imaging (1)H-MRS, which included voxels in the anterior cingulate cortices (ACC), dorsolateral prefrontal cortices (DLPFC), and frontal white matter. We compared metabolite concentrations relative to phosphocreatine+creatine (PCr+Cr) for n-acetyl-aspartate (NAA), n-acetyl-aspartate+n-acetyl-aspartyl-glutamate (NAA+NAAG), glutamate (Glu), glutamate+glutamine (Glu+Gln), myo-inositol, and glycerophosphocholine+phosphocholine (GPC+PCh) across groups. The MA groups showed significantly decreased relative NAA metabolite concentrations for right ACC and right DLPFC, compared with control group. The MA dependent group only showed significantly decreased choline metabolites for right DLPFC, compared with control group. The MAP group's relative NAA metabolite concentrations were significantly correlated with age of initial use and duration of MA use, these correlates were not apparent in MA dependent group. MA use is associated with decreased neuronal integrity and viability, specifically in the right ACC and right DLPFC. MA dependence showed active neurodegeneration in the right DLPFC, this was not apparent in the MAP group and may be related to the use of antipsychotic medication in the MAP group. The effects of MA use in MAP suggest that age of initial use presents a mismatch of neuronal plasticity, in frontal white vs. gray matter and duration of use relates to decreased neuronal integrity and viability. Further study is warranted from this initial study of (1)H-MRS in MAP, in particular longitudinal

Resonance Raman spectroscopy of 2H-labelled spheroidenes in petroleum ether and in the Rhodobacter sphaeroides reaction centre.

PubMed

Kok, P; Köhler, J; Groenen, E J; Gebhard, R; van der Hoef, I; Lugtenburg, J; Farhoosh, R; Frank, H A

1997-03-01

As a step towards the structural analysis of the carotenoid spheroidene in the Rhodobacter sphaeroides reaction centre, we present the resonance Raman spectra of 14-2H, 15-2H, 15'-2H, 14'-2H, 14,15'-2H2 and 15-15'-2H2 spheroidenes in petroleum ether and, except for 14,15'-2H2 spheroidene, in the Rb. sphaeroides R26 reaction center (RC). Analysis of the spectral changes upon isotopic substitution allows a qualitative assignment of most of the vibrational bands to be made. For the all-trans spheroidenes in solution the resonance enhancement of the Raman bands is determined by the participation of carbon carbon stretching modes in the centre of the conjugated chain, the C9 to C15' region. For the RC-bound 15,15'-cis spheroidenes, enhancement is determined by the participation of carbon-carbon stretching modes in the centre of the molecule, the C13 to C13' region. Comparison of the spectra in solution and in the RC reveals evidence for an out-of-plane distortion of the RC-bound spheroidene in the central C14 to C14' region of the carotenoid. The characteristic 1240 cm-1 band in the spectrum of the RC-bound spheroidene has been assigned to a normal mode that contains the coupled C12-C13 and C13'-C12' stretch vibrations.

Mitochondrial NAD(P)H In vivo: Identifying Natural Indicators of Oxidative Phosphorylation in the (31)P Magnetic Resonance Spectrum.

PubMed

Conley, Kevin E; Ali, Amir S; Flores, Brandon; Jubrias, Sharon A; Shankland, Eric G

2016-01-01

Natural indicators provide intrinsic probes of metabolism, biogenesis and oxidative protection. Nicotinamide adenine dinucleotide metabolites (NAD(P)) are one class of indicators that have roles as co-factors in oxidative phosphorylation, glycolysis, and anti-oxidant protection, as well as signaling in the mitochondrial biogenesis pathway. These many roles are made possible by the distinct redox states (NAD(P)(+) and NAD(P)H), which are compartmentalized between cytosol and mitochondria. Here we provide evidence for detection of NAD(P)(+) and NAD(P)H in separate mitochondrial and cytosol pools in vivo in human tissue by phosphorus magnetic resonance spectroscopy ((31)P MRS). These NAD(P) pools are identified by chemical standards (NAD(+), NADP(+), and NADH) and by physiological tests. A unique resonance reflecting mitochondrial NAD(P)H is revealed by the changes elicited by elevation of mitochondrial oxidation. The decline of NAD(P)H with oxidation is matched by a stoichiometric rise in the NAD(P)(+) peak. This unique resonance also provides a measure of the improvement in mitochondrial oxidation that parallels the greater phosphorylation found after exercise training in these elderly subjects. The implication is that the dynamics of the mitochondrial NAD(P)H peak provides an intrinsic probe of the reversal of mitochondrial dysfunction in elderly muscle. Thus, non-invasive detection of NAD(P)(+) and NAD(P)H in cytosol vs. mitochondria yields natural indicators of redox compartmentalization and sensitive intrinsic probes of the improvement of mitochondrial function with an intervention in human tissues in vivo. These natural indicators hold the promise of providing mechanistic insight into metabolism and mitochondrial function in vivo in a range of tissues in health, disease and with treatment.

The stage-classified matrix models project a significant increase in biomass carbon stocks in China's forests between 2005 and 2050.

PubMed

Hu, Huifeng; Wang, Shaopeng; Guo, Zhaodi; Xu, Bing; Fang, Jingyun

2015-06-25

China's forests are characterized by young age, low carbon (C) density and a large plantation area, implying a high potential for increasing C sinks in the future. Using data of provincial forest area and biomass C density from China's forest inventories between 1994 and 2008 and the planned forest coverage of the country by 2050, we developed a stage-classified matrix model to predict biomass C stocks of China's forests from 2005 to 2050. The results showed that total forest biomass C stock would increase from 6.43 Pg C (1 Pg = 10(15) g) in 2005 to 9.97 Pg C (95% confidence interval: 8.98 ~ 11.07 Pg C) in 2050, with an overall net C gain of 78.8 Tg C yr(-1) (56.7 ~ 103.3 Tg C yr(-1); 1 Tg = 10(12) g). Our findings suggest that China's forests will be a large and persistent biomass C sink through 2050.

Resonance-modulated wavelength scaling of high-order-harmonic generation from H2+

NASA Astrophysics Data System (ADS)

Wang, Baoning; He, Lixin; Wang, Feng; Yuan, Hua; Zhu, Xiaosong; Lan, Pengfei; Lu, Peixiang

2018-01-01

Wavelength scaling of high-order harmonic generation (HHG) in a non-Born-Oppenheimer treatment of H2+ is investigated by numerical simulations of the time-dependent Schrödinger equation. The results show that the decrease in the wavelength-dependent HHG yield is reduced compared to that in the fixed-nucleus approximation. This slower wavelength scaling is related to the charge-resonance-enhanced ionization effect, which considerably increases the ionization rate at longer driving laser wavelengths due to the relatively larger nuclear separation. In addition, we find an oscillation structure in the wavelength scaling of HHG from H2+. Upon decreasing the laser intensity or increasing the nuclear mass, the oscillation structure will shift towards a longer wavelength of the laser pulse. These results permit the generation of an efficient harmonic spectrum in the midinfrared regime by manipulating the nuclear dynamics of molecules.

Fingerprinting analysis of Rhizoma chuanxiong of commercial types using 1H nuclear magnetic resonance spectroscopy and high performance liquid chromatography method.

PubMed

Qin, Hai-Lin; Deng, An-Jun; Du, Guan-Hua; Wang, Peng; Zhang, Jin-Lan; Li, Zhi-Hong

2009-06-01

The (1)H nuclear magnetic resonance ((1)H NMR) fingerprints of fractionated non-polar extracts (control substance for a plant drug (CSPD) A) from Rhizoma chuanxiong, the rhizomes of Ligusticum chuanxiong Hort., of seven specimens from different sources were measured on Fourier Transform (FT)-NMR spectrometer and assigned by comparing them with the (1)H NMR spectra of the isolated pure compounds. The (1)H NMR fingerprints showed exclusively characteristic resonance signals of the major special constituents of the plant. Although the differences in the relative intensity of the (1)H NMR signals due to a discrepancy in the ratio of the major constituents among these samples could be confirmed by high performance liquid chromatography analysis, the general features of the (1)H NMR fingerprint established for an authentic sample of the rhizomes of L. chuanxiong exhibited exclusive data from those special compounds and can be used for authenticating L. Chuanxiong species.

500 Million Americans by 2050? Alternative Projections of the U.S. Population.

ERIC Educational Resources Information Center

Ahlburg, Dennis; Vaupel, James W.

1993-01-01

Offers an alternative to the U.S. Bureau of the Consensus population projection for 2050. Discusses alternative mortality, fertility, and immigration assumptions and projection methods that use a baseline scenario of no further gains against mortality. Description of the U.S. population under alternative scenarios include changes in structure and…

Growth Kinetics of the S Sub H Center on Magnesium Oxide Using Electron Paramagnetic Resonance

NASA Technical Reports Server (NTRS)

Jayne, J. P.

1971-01-01

Electron paramagnetic resonance spectroscopy was used to study the growth of S sub H centers on magnesium oxide powder which had hydrogen adsorbed on its surface. The centers were produced by ultraviolet radiation. The effects of both radiation intensity and hydrogen pressure were also studied. At constant hydrogen pressure and radiation dose, the initial S sub H center growth rate was found to be zero order. Beyond the initial region the growth rate deviated from zero order and finally approached saturation. The results are interpreted in terms of a model which assumes that the S sub H center is a hydrogen atom associated with a surface vacancy. Saturation appears to result from a limited supply of surface vacancies.

Population, mortality and place of death in Germany (1950-2050) - implications for end-of-life care in the future.

PubMed

Simon, S T; Gomes, B; Koeskeroglu, P; Higginson, I J; Bausewein, C

2012-11-01

European populations are ageing, but data on the associated end-of-life care needs are scarce. This study aimed to analyse population, mortality and place of death (PoD) trends in Germany since 1950, and to project mortality by PoD until 2050. Secondary analysis of national statistics on population, mortality and PoD by age and gender. Future numbers and proportions of deaths by PoD - hospital deaths (HDs) and non-hospital deaths (NHDs) - were based on recent trends (2005-2009). Linear models accounted for the effect of age and gender. The German population increased by 19.0% between 1950 and 2002, and has remained relatively stable ever since. However, it is expected that it will decrease (15.4%) from 2009 to 2050 (from 81.8 to 69.4 million). The annual number of deaths has shown an increasing trend, except for a decrease in 1975-2004. A 26.0% increase is expected from 2009 to 2050 (854,544 to 1,077,000 deaths). Older people (age ≥ 75 years) will account for 87.8% of all deaths in 2050 (64.4% in 2009). The proportion of HDs was stable, with an annual mean of 47.0% (range 44.9-47.8%). The models estimated that most people will continue to die outside of hospital in 2050 (48.6 or 54.1%), and absolute numbers of both HDs and NHDs will increase from 2009 to 2050 [HD: by 20.1 million (30.6%); NHD: by 35.5 million (17.0%)]. Unlike in other industrialized countries, most people in Germany die outside of hospital. The need to plan for growing end-of-life care needs and ageing is urgent in Germany but also applies to the rest of Europe. A joint European policy must inform national strategies. Copyright © 2012 The Royal Society for Public Health. Published by Elsevier Ltd. All rights reserved.

20 CFR 404.2050 - When will we select a new representative payee for you?

Code of Federal Regulations, 2010 CFR

2010-04-01

...-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Representative Payment § 404.2050 When will we select a new representative payee for you? When we learn that your interest is not served by sending your...

20 CFR 404.2050 - When will we select a new representative payee for you?

Code of Federal Regulations, 2011 CFR

2011-04-01

...-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Representative Payment § 404.2050 When will we select a new representative payee for you? When we learn that your interest is not served by sending your...

Flying into the future: aviation emissions scenarios to 2050.

PubMed

Owen, Bethan; Lee, David S; Lim, Ling

2010-04-01

This study describes the methodology and results for calculating future global aviation emissions of carbon dioxide and oxides of nitrogen from air traffic under four of the IPCC/SRES (Intergovernmental Panel on Climate Change/Special Report on Emissions Scenarios) marker scenarios: A1B, A2, B1, and B2. In addition, a mitigation scenario has been calculated for the B1 scenario, requiring rapid and significant technology development and transition. A global model of aircraft movements and emissions (FAST) was used to calculate fuel use and emissions to 2050 with a further outlook to 2100. The aviation emission scenarios presented are designed to interpret the SRES and have been developed to aid in the quantification of the climate change impacts of aviation. Demand projections are made for each scenario, determined by SRES economic growth factors and the SRES storylines. Technology trends are examined in detail and developed for each scenario providing plausible projections for fuel efficiency and emissions control technology appropriate to the individual SRES storylines. The technology trends that are applied are calculated from bottom-up inventory calculations and industry technology trends and targets. Future emissions of carbon dioxide are projected to grow between 2000 and 2050 by a factor in the range of 2.0 and 3.6 depending on the scenario. Emissions of oxides of nitrogen associated with aviation over the same period are projected to grow by between a factor of 1.2 and 2.7.

High current H2(+) and H3(+) beam generation by pulsed 2.45 GHz electron cyclotron resonance ion source.

PubMed

Xu, Yuan; Peng, Shixiang; Ren, Haitao; Zhao, Jie; Chen, Jia; Zhang, Ailin; Zhang, Tao; Guo, Zhiyu; Chen, Jia'er

2014-02-01

The permanent magnet 2.45 GHz electron cyclotron resonance ion source at Peking University can produce more than 100 mA hydrogen ion beam working at pulsed mode. For the increasing requirements of cluster ions (H2(+) and H3(+)) in linac and cyclotron, experimental study was carried out to further understand the hydrogen plasma processes in the ion source for the generation of cluster ions. The constituents of extracted beam have been analyzed varying with the pulsed duration from 0.3 ms to 2.0 ms (repetition frequency 100 Hz) at different operation pressure. The fraction of cluster ions dramatically increased when the pulsed duration was lower than 0.6 ms, and more than 20 mA pure H3(+) ions with fraction 43.2% and 40 mA H2(+) ions with fraction 47.7% were obtained when the operation parameters were adequate. The dependence of extracted ion fraction on microwave power was also measured at different pressure as the energy absorbed by plasma will greatly influence electron temperature and electron density then the plasma processes in the ion source. More details will be presented in this paper.

Near-resonant rotational energy transfer in HCl–H{sub 2} inelastic collisions

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

Lanza, Mathieu; Lique, François, E-mail: francois.lique@univ-lehavre.fr; Kalugina, Yulia

2014-02-14

We present a new four-dimensional (4D) potential energy surface for the HCl–H{sub 2} van der Waals system. Both molecules were treated as rigid rotors. Potential energy surface was obtained from electronic structure calculations using a coupled cluster with single, double, and perturbative triple excitations method. The four atoms were described using the augmented correlation-consistent quadruple zeta basis set and bond functions were placed at mid-distance between the HCl and H{sub 2} centers of mass for a better description of the van der Waals interaction. The global minimum is characterized by the well depth of 213.38 cm{sup −1} corresponding to themore » T-shape structure with H{sub 2} molecule on the H side of the HCl molecule. The dissociation energies D{sub 0} are 34.7 cm{sup −1} and 42.3 cm{sup −1} for the complex with para- and ortho-H{sub 2}, respectively. These theoretical results obtained using our new PES are in good agreement with experimental values [D. T. Anderson, M. Schuder, and D. J. Nesbitt, Chem. Phys. 239, 253 (1998)]. Close coupling calculations of the inelastic integral rotational cross sections of HCl in collisions with para-H{sub 2} and ortho-H{sub 2} were performed at low and intermediate collisional energies. Significant differences exist between para- and ortho-H{sub 2} results. The strongest collision-induced rotational HCl transitions are the transitions with Δj = 1 for collisions with both para-H{sub 2} and ortho-H{sub 2}. Rotational relaxation of HCl in collision with para-H{sub 2} in the rotationally excited states j = 2 is dominated by near-resonant energy transfer.« less

Resonance condition and low-frequency quasi-periodic oscillations of the outbursting source H1743-322

NASA Astrophysics Data System (ADS)

Chakrabarti, Sandip K.; Mondal, Santanu; Debnath, Dipak

2015-10-01

It has long been proposed that low-frequency quasi-periodic oscillations (QPOs) in stellar-mass black holes or their equivalents in supermassive black holes are the result of resonances between infall and cooling timescales. We explicitly compute these two timescales in a generic situation to show that resonances are easily achieved. During an outburst of a transient black hole candidate, the accretion rate of the Keplerian disc as well as the geometry of the Comptonizing cloud change very rapidly. During some period, a resonance condition between the cooling timescale (predominantly by Comptonization) and the infall timescale of the Comptonizing cloud is roughly satisfied. This leads to low-frequency quasi-periodic oscillations (LFQPOs) of the Compton cloud and the consequent oscillation of hard X-rays. In this paper, we explicitly follow black hole candidate H1743-322 during its 2010 outburst. We compute the Compton cooling time and infall time over several days and show that QPOs take place when these two roughly agree within ˜50 per cent, i.e., the resonance condition is generally satisfied. We also confirm that for the sharper LFQPOs (i.e. higher Q-factors) the ratio of the two timescales is very close to 1.

Surface plasmon resonance based fiber optic pH sensor utilizing Ag/ITO/Al/hydrogel layers.

PubMed

Mishra, Satyendra K; Gupta, Banshi D

2013-05-07

The fabrication and characterization of a surface plasmon resonance based pH sensor using coatings of silver, ITO (In2O3:SnO2), aluminium and smart hydrogel layers over an unclad core of an optical fiber have been reported. The silver, aluminium and ITO layers were coated using a thermal evaporation technique, while the hydrogel layer was prepared using a dip-coating method. The sensor works on the principle of detecting changes in the refractive index of the hydrogel layer due to its swelling and shrinkage caused by changes in the pH of the fluid surrounding the hydrogel layer. The sensor utilizes a wavelength interrogation technique and operates in a particular window of low and high pH values. Increasing the pH value of the fluid causes swelling of the hydrogel layer, which decreases its refractive index and results in a shift of the resonance wavelength towards blue in the transmitted spectra. The thicknesses of the ITO and aluminium layers have been optimized to achieve the best performance of the sensor. The ITO layer increases the sensitivity while the aluminium layer increases the detection accuracy of the sensor. The proposed sensor possesses maximum sensitivity in comparison to the sensors reported in the literature. A negligible effect of ambient temperature in the range 25 °C to 45 °C on the performance of the sensor has been observed. The additional advantages of the sensor are short response time, low cost, probe miniaturization, probe re-usability and the capability of remote sensing.

Resonant structure of low-energy H3+ dissociative recombination

NASA Astrophysics Data System (ADS)

Petrignani, Annemieke; Altevogt, Simon; Berg, Max H.; Bing, Dennis; Grieser, Manfred; Hoffmann, Jens; Jordon-Thaden, Brandon; Krantz, Claude; Mendes, Mario B.; Novotný, Oldřich; Novotny, Steffen; Orlov, Dmitry A.; Repnow, Roland; Sorg, Tobias; Stützel, Julia; Wolf, Andreas; Buhr, Henrik; Kreckel, Holger; Kokoouline, Viatcheslav; Greene, Chris H.

2011-03-01

High-resolution dissociative recombination rate coefficients of rotationally cool and hot H3+ in the vibrational ground state have been measured with a 22-pole trap setup and a Penning ion source, respectively, at the ion storage-ring TSR. The experimental results are compared with theoretical calculations to explore the dependence of the rate coefficient on ion temperature and to study the contributions of different symmetries to probe the rich predicted resonance spectrum. The kinetic energy release was investigated by fragment imaging to derive internal temperatures of the stored parent ions under differing experimental conditions. A systematic experimental assessment of heating effects is performed which, together with a survey of other recent storage-ring data, suggests that the present rotationally cool rate-coefficient measurement was performed at 380-130+50 K and that this is the lowest rotational temperature so far realized in storage-ring rate-coefficient measurements on H3+. This partially supports the theoretical suggestion that temperatures higher than assumed in earlier experiments are the main cause for the large gap between the experimental and the theoretical rate coefficients. For the rotationally hot rate-coefficient measurement a temperature of below 3250 K is derived. From these higher-temperature results it is found that increasing the rotational ion temperature in the calculations cannot fully close the gap between the theoretical and the experimental rate coefficients.

Resonant transfer excitation in collisions of F6+ and Mg9+ with H2

NASA Astrophysics Data System (ADS)

Bernstein, E. M.; Kamal, A.; Zaharakis, K. E.; Clark, M. W.; Tanis, J. A.; Ferguson, S. M.; Badnell, N. R.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F6++H2 and Mg9++H2 collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for K-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F6+ the present calculations are about 10% lower than previous results of Bhalla and Karim [Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990]; the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz et al. [Phys. Rev. A 38, 5454 (1988)]. The previous disagreement between experiment and theory for F6+ is removed.

The stage-classified matrix models project a significant increase in biomass carbon stocks in China’s forests between 2005 and 2050

PubMed Central

Hu, Huifeng; Wang, Shaopeng; Guo, Zhaodi; Xu, Bing; Fang, Jingyun

2015-01-01

China’s forests are characterized by young age, low carbon (C) density and a large plantation area, implying a high potential for increasing C sinks in the future. Using data of provincial forest area and biomass C density from China’s forest inventories between 1994 and 2008 and the planned forest coverage of the country by 2050, we developed a stage-classified matrix model to predict biomass C stocks of China’s forests from 2005 to 2050. The results showed that total forest biomass C stock would increase from 6.43 Pg C (1 Pg = 1015 g) in 2005 to 9.97 Pg C (95% confidence interval: 8.98 ~ 11.07 Pg C) in 2050, with an overall net C gain of 78.8 Tg C yr−1 (56.7 ~ 103.3 Tg C yr−1; 1 Tg = 1012 g). Our findings suggest that China’s forests will be a large and persistent biomass C sink through 2050. PMID:26110831

Possible changes to arable crop yields by 2050

PubMed Central

Jaggard, Keith W.; Qi, Aiming; Ober, Eric S.

2010-01-01

By 2050, the world population is likely to be 9.1 billion, the CO2 concentration 550 ppm, the ozone concentration 60 ppb and the climate warmer by ca 2°C. In these conditions, what contribution can increased crop yield make to feeding the world? CO2 enrichment is likely to increase yields of most crops by approximately 13 per cent but leave yields of C4 crops unchanged. It will tend to reduce water consumption by all crops, but this effect will be approximately cancelled out by the effect of the increased temperature on evaporation rates. In many places increased temperature will provide opportunities to manipulate agronomy to improve crop performance. Ozone concentration increases will decrease yields by 5 per cent or more. Plant breeders will probably be able to increase yields considerably in the CO2-enriched environment of the future, and most weeds and airborne pests and diseases should remain controllable, so long as policy changes do not remove too many types of crop-protection chemicals. However, soil-borne pathogens are likely to be an increasing problem when warmer weather will increase their multiplication rates; control is likely to need a transgenic approach to breeding for resistance. There is a large gap between achievable yields and those delivered by farmers, even in the most efficient agricultural systems. A gap is inevitable, but there are large differences between farmers, even between those who have used the same resources. If this gap is closed and accompanied by improvements in potential yields then there is a good prospect that crop production will increase by approximately 50 per cent or more by 2050 without extra land. However, the demands for land to produce bio-energy have not been factored into these calculations. PMID:20713388

Possible changes to arable crop yields by 2050.

PubMed

Jaggard, Keith W; Qi, Aiming; Ober, Eric S

2010-09-27

By 2050, the world population is likely to be 9.1 billion, the CO(2) concentration 550 ppm, the ozone concentration 60 ppb and the climate warmer by ca 2 degrees C. In these conditions, what contribution can increased crop yield make to feeding the world? CO(2) enrichment is likely to increase yields of most crops by approximately 13 per cent but leave yields of C4 crops unchanged. It will tend to reduce water consumption by all crops, but this effect will be approximately cancelled out by the effect of the increased temperature on evaporation rates. In many places increased temperature will provide opportunities to manipulate agronomy to improve crop performance. Ozone concentration increases will decrease yields by 5 per cent or more. Plant breeders will probably be able to increase yields considerably in the CO(2)-enriched environment of the future, and most weeds and airborne pests and diseases should remain controllable, so long as policy changes do not remove too many types of crop-protection chemicals. However, soil-borne pathogens are likely to be an increasing problem when warmer weather will increase their multiplication rates; control is likely to need a transgenic approach to breeding for resistance. There is a large gap between achievable yields and those delivered by farmers, even in the most efficient agricultural systems. A gap is inevitable, but there are large differences between farmers, even between those who have used the same resources. If this gap is closed and accompanied by improvements in potential yields then there is a good prospect that crop production will increase by approximately 50 per cent or more by 2050 without extra land. However, the demands for land to produce bio-energy have not been factored into these calculations.

Projection of Chinese motor vehicle growth, oil demand, and CO2 emissions through 2050

DOT National Transportation Integrated Search

2007-01-01

During this study a methodology was developed to project growth trends of the motor vehicle population and associated oil demand and carbon dioxide (CO2) emissions in China through 2050. In particular, the numbers of highway vehicles, motorcycles, an...

Forecasting the burden of type 2 diabetes mellitus in Qatar to 2050: A novel modeling approach.

PubMed

Awad, Susanne F; O'Flaherty, Martin; Critchley, Julia; Abu-Raddad, Laith J

2018-03-01

We developed and demonstrated a novel mathematical modeling approach to forecast the burden of type 2 diabetes mellitus (T2DM) and to investigate T2DM epidemiology for the purpose of informing public health policy and programming. A population-level compartmental mathematical model was constructed and applied to Qatar. The model was stratified according to sex, age group, risk factor status, and T2DM status, and was parameterized by nationally-representative data. T2DM prevalence increased from 16.7% in 2012 to at least 24.0% by 2050. The rise in T2DM was most prominent among 45-54 years old. T2DM health expenditure was estimated to increase by 200-600% and to account for up to 32% of total health expenditure by 2050. Prevalence of obesity, smoking, and physical inactivity was predicted to increase from 41.4% to 51.0%, from 16.4% to 19.4%, and from 45.9% to 53.0%, respectively. The proportion of T2DM incidence attributed to obesity, smoking and physical inactivity was estimated at 57.5%, 1.8%, and 5.4%, respectively in 2012, and 65.7%, 2.1%, and 6.0%, respectively in 2050. Exploring different scenarios for the trends in risk factors, T2DM prevalence reached up to 37.7% by 2050. Using our innovative approach, a rising T2DM epidemic is predicted to continue in the next decades, driven by population growth, ageing and adverse trends in risk factors. Obesity was the principal risk factor explaining two-thirds of T2DM incidence. T2DM must be a national priority addressed by preventive and therapeutic interventions targeting T2DM and its modifiable risk factors. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

(1)H-magnetic resonance spectroscopy in social anxiety disorder.

PubMed

Howells, Fleur M; Hattingh, Coenraad J; Syal, Supriya; Breet, Elsie; Stein, Dan J; Lochner, Christine

2015-04-03

Social anxiety disorder (SAD) is characterized by excessive anxiety about social interaction or performance situations, leading to avoidance and clinically significant distress. A growing literature on the neurobiology of SAD has suggested that the reward/avoidance basal ganglia circuitry in general and the glutamatergic system in particular may play a role. In the current study, we investigated (1)H-magnetic resonance spectroscopy ((1)H-MRS) concentrations in cortical, striatal, and thalamic circuitry, as well as their associations with measures of social anxiety and related symptoms, in patients with primary SAD. Eighteen adult individuals with SAD and 19 age- and sex- matched controls participated in this study. (1)H-MRS was used to determine relative metabolite concentrations in the anterior cingulate cortex (ACC) using single voxel spectroscopy (reporting relative N-acetyl-aspartate (NAA), N-acetyl-aspartate with N-acetyl-aspartyl-glutamate (NAA+NAAG), glycerophosphocholine with phosphocholine (GPC+PCh), myo-inositol, glutamate (Glu), and glutamate with its precursor glutamine (Glu+Gln)), and the caudate, putamen and thalami bilaterally using two dimensional chemical shift imaging (reporting relative NAA+NAAG and GPC+PCh). Relationships between metabolite concentrations and measures of social anxiety and related symptoms were also determined. Measures of social anxiety included symptom severity, blushing propensity, and gaze anxiety/avoidance. We found, first, decreased relative glutamate concentration in the ACC of SAD and changes in myo-inositol with measures of social anxiety. Second, NAA metabolite concentration was increased in thalamus of SAD, and choline metabolite concentrations were related to measures of social anxiety. Lastly, choline metabolite concentration in the caudate and putamen showed changes in relation to measures of social anxiety. These findings are consistent with evidence that the reward/avoidance basal ganglia circuitry, as well as

Characteristics of one-port surface acoustic wave resonator fabricated on ZnO/6H-SiC layered structure

NASA Astrophysics Data System (ADS)

Li, Qi; Qian, Lirong; Fu, Sulei; Song, Cheng; Zeng, Fei; Pan, Feng

2018-04-01

Characteristics of one-port surface acoustic wave (SAW) resonators fabricated on ZnO/6H-SiC layered structure were investigated experimentally and theoretically. Phase velocities (V p), electromechanical coupling coefficients (K 2), quality factors (Q), and temperature coefficients of frequency (TCF) of Rayleigh wave (0th mode) and first- and second-order Sezawa wave (1st and 2nd modes, respectively) for different piezoelectric film thickness-to-wavelength (h ZnO /λ) ratios were systematically studied. Results demonstrated that one-port SAW resonators fabricated on the ZnO/6H-SiC layered structure were promising for high-frequency SAW applications with moderate K 2 and TCF values. A high K 2 of 2.44% associated with a V p of 5182 m s‑1 and a TCF of  ‑41.8 ppm/°C was achieved at h ZnO /λ  =  0.41 in the 1st mode, while a large V p of 7210 m s‑1 with a K 2 of 0.19% and a TCF of  ‑36.4 ppm/°C was obtained for h ZnO /λ  =  0.31 in the 2nd mode. Besides, most of the parameters were reported for the first time and will be helpful for the future design and optimization of SAW devices fabricated on ZnO/6H-SiC layered structures.

Resonances in Positronium Hydride

NASA Technical Reports Server (NTRS)

DiRienzi, Joseph; Drachman, Richard J.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We re-examine the problem of calculating the positions and widths of the lowest-lying resonances in the Ps + H scattering system which consists of two electrons, one positron and one proton. The first of these resonances, for L=0, was found by the methods of complex rotation and stabilization, and later described as a Feshbach resonance lying close to a bound state in the closed-channel e (+) + H (-) system. Recently, results for the L=1 and 2 scattering states were published, and it was found, surprisingly, that there is a larae shift in the positions of these resonances. In this work we repeat the analysis for L=1 and find an unexpected explanation for the shift.

Multislice 1H magnetic resonance spectroscopic imaging: assessment of epilepsy, Alzheimer's disease, and amyotrophic lateral sclerosis

NASA Astrophysics Data System (ADS)

Weiner, Michael W.; Maudsley, Andrew A.; Schuff, Norbert; Soher, Brian J.; Vermathen, Peter P.; Fein, George; Laxer, Kenneth D.

1998-07-01

Proton magnetic resonance spectroscopic imaging (1H MRSI) with volume pre-selection (i.e. by PRESS) or multislice 1H MRSI was used to investigate changes in brain metabolites in Alzheimer's disease, epilepsy, and amyotrophic lateral sclerosis. Examples of results from several ongoing clinical studies are provided. Multislice 1H MRSI of the human brain, without volume pre-selection offers considerable advantages over previously available techniques. Furthermore, MRI tissue segmentation and completely automated spectra curve fitting greatly facilitate quantitative data analysis. Future efforts will be devoted to obtaining full brain coverage and data acquisition at short spin echo times (TE less than 30 ms) for the detection of metabolites with short T2 relaxation times.

Application of parametric equations of motion to study the resonance coalescence in H2(+).

PubMed

Kalita, Dhruba J; Gupta, Ashish K

2012-12-07

Recently, occurrence of coalescence point was reported in H(2)(+) undergoing multiphoton dissociation in strong laser field. We have applied parametric equations of motion and smooth exterior scaling method to study the coalescence phenomenon of H(2)(+). The advantage of this method is that one can easily trace the different states that are changing as the field parameters change. It was reported earlier that in the parameter space, only two bound states coalesce [R. Lefebvre, O. Atabek, M. Sindelka, and N. Moiseyev, Phys. Rev. Lett. 103, 123003 (2009)]. However, it is found that increasing the accuracy of the calculation leads to the coalescence between resonance states originating from the bound and the continuum states. We have also reported many other coalescence points.

(2 + 1) resonant enhanced multiphoton ionization of H2 via the E,F 1Sigma(+)g state

NASA Technical Reports Server (NTRS)

Rudolph, H.; Lynch, D. L.; Dixit, S. N.; Mckoy, V.; Huo, Winifred M.

1987-01-01

In this paper, the results of ab initio calculations of photoelectron angular distributions and vibrational branching ratios for the (2 + 1) resonant enhanced multiphoton ionization (REMPI) of H2 via the E,F 1Sigma(+)g state are reported, and these are compared with the experimental data of Anderson et al. (1984). These results show that the observed non-Franck-Condon behavior is predominantly due to the R dependence of the transition matrix elements, and to a lesser degree to the energy dependence. This work presents the first molecular REMPI study employing a correlated wave function to describe the Rydberg-valence mixing in the resonant intermediate state.

Reduced Brain GABA in Primary Insomnia: Preliminary Data from 4T Proton Magnetic Resonance Spectroscopy (1H-MRS)

PubMed Central

Winkelman, John W.; Buxton, Orfeu M.; Jensen, J. Eric; Benson, Kathleen L.; O'Connor, Shawn P.; Wang, Wei; Renshaw, Perry F.

2008-01-01

Study Objectives: Both basic and clinical data suggest a potential significant role for GABA in the etiology and maintenance of primary insomnia (PI). Proton magnetic resonance spectroscopy (1H-MRS) can non-invasively determine GABA levels in human brain. Our objective was to assess GABA levels in unmedicated individuals with PI, using 1H-MRS. Design and Setting: Matched-groups, cross-sectional study conducted at two university-based hospitals. Participants: Sixteen non-medicated individuals (8 women) with PI (mean age = 37.3 +/− 8.1) and 16 (7 women) well-screened normal sleepers (mean age = 37.6 +/− 4.5). Methods and Measurements: PI was established with an unstructured clinical interview, a Structured Clinical Interview for DSM-IV (SCID), sleep diary, actigraphy and polysomnography (PSG). 1H-MRS data were collected on a Varian 4 Tesla magnetic resonance imaging/spectroscopy scanner. Global brain GABA levels were averaged from samples in the basal ganglia, thalamus, and temporal, parietal, and occipital white-matter and cortex. Results: Average brain GABA levels were nearly 30% lower in patients with PI (.18 +/− .06) compared to controls (.25 +/− .11). GABA levels were negatively correlated with wake after sleep onset (WASO) on two independent PSGs (r = −0.71, p = 0.0024 and −0.70, p = 0.0048). Conclusions: Our preliminary finding of a global reduction in GABA in non-medicated individuals with PI is the first demonstration of a neurochemical difference in the brains of those with PI compared to normal sleeping controls. 1H-MRS is a valuable tool to assess GABA in vivo, and may provide a means to shed further light on the neurobiology of insomnia. Citation: Winkelman JW; Buxton OM; Jensen JE; Benson KL; O'Connor SP; Wang W; Renshaw PF. Reduced brain GABA in primary insomnia: preliminary data from 4T proton magnetic resonance spectroscopy (1H-MRS). SLEEP 2008;31(11):1499–1506. PMID:19014069

Partially orthogonal resonators for magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Chacon-Caldera, Jorge; Malzacher, Matthias; Schad, Lothar R.

2017-02-01

Resonators for signal reception in magnetic resonance are traditionally planar to restrict coil material and avoid coil losses. Here, we present a novel concept to model resonators partially in a plane with maximum sensitivity to the magnetic resonance signal and partially in an orthogonal plane with reduced signal sensitivity. Thus, properties of individual elements in coil arrays can be modified to optimize physical planar space and increase the sensitivity of the overall array. A particular case of the concept is implemented to decrease H-field destructive interferences in planar concentric in-phase arrays. An increase in signal to noise ratio of approximately 20% was achieved with two resonators placed over approximately the same planar area compared to common approaches at a target depth of 10 cm at 3 Tesla. Improved parallel imaging performance of this configuration is also demonstrated. The concept can be further used to increase coil density.

Low flows and reservoir management for the Durance River basin (Southern France) in the 2050s

NASA Astrophysics Data System (ADS)

Sauquet, Eric

2015-04-01

The Durance River is one of the major rivers located in the Southern part of France. Water resources are under high pressure due to significant water abstractions for human uses within and out of the natural boundaries of the river basin through an extended open channel network. Water demands are related to irrigation, hydropower, drinking water, industries and more recently water management has included water needs for recreational uses as well as for preserving ecological services. Water is crucial for all these activities and for the socio-economic development of South Eastern France. Both socio-economic development and population evolution will probably modify needs for water supply, irrigation, energy consumption, tourism, industry, etc. In addition the Durance river basin will have to face climate change and its impact on water availability that may question the sustainability of the current rules for water allocation. The research project R²D²-2050 "Risk, water Resources and sustainable Development within the Durance river basin in 2050" aims at assessing future water availability and risks of water shortage in the 2050s by taking into account changes in both climate and water management. R²D²-2050 is partially funded by the French Ministry in charge of Ecology and the Rhône-Méditerranée Water Agency. This multidisciplinary project (2010-2014) involves Irstea, Electricité de France (EDF), the University Pierre et Marie Curie (Paris), LTHE (CNRS), the Société du Canal de Provence (SCP) and the research and consultancy company ACTeon. A set of models have been developed to simulate climate at regional scale (given by 330 projections obtained by applying three downscaling methods), water resources (provided by seven rainfall-runoff models forced by a subset of 330 climate projections), water demand for agriculture and drinking water, for different sub basins of the Durance River basin upstream of Mallemort under present day and under future conditions

Key metabolites in tissue extracts of Elliptio complanata identified using 1H nuclear magnetic resonance spectroscopy

PubMed Central

Hurley-Sanders, Jennifer L.; Levine, Jay F.; Nelson, Stacy A. C.; Law, J. M.; Showers, William J.; Stoskopf, Michael K.

2015-01-01

We used 1H nuclear magnetic resonance spectroscopy to describe key metabolites of the polar metabolome of the freshwater mussel, Elliptio complanata. Principal components analysis documented variability across tissue types and river of origin in mussels collected from two rivers in North Carolina (USA). Muscle, digestive gland, mantle and gill tissues yielded identifiable but overlapping metabolic profiles. Variation in digestive gland metabolic profiles between the two mussel collection sites was characterized by differences in mono- and disaccharides. Variation in mantle tissue metabolomes appeared to be associated with sex. Nuclear magnetic resonance spectroscopy is a sensitive means to detect metabolites in the tissues of E. complanata and holds promise as a tool for the investigation of freshwater mussel health and physiology. PMID:27293708

Germinating the 2050 Cis-Lunar Econosphere

NASA Technical Reports Server (NTRS)

Scott, David W.; Curreri, Peter A.; Ferguson, Cynthia K.; Nall, Mark E.; Tinker, Michael L.; Wright, Gregory M.

2015-01-01

In early 2013, Marshall Space Flight Center's upper management chartered a diverse team for a six-week 'sprint' to speculate (in a disciplined manner) and paint (with broad brush strokes) a picture of how earth, space, and public/private entities might be operating and relating to each other... in the year 2100. Two 12-person groups of civil servants, one with members having 15 years or less of NASA experience and the other with more senior members, worked independently and then compared and integrated their conclusions. In 2014, the 'Space 2100' team, with some new team members and different group boundaries, ran a longer sprint to a) develop more detailed estimates of the operations and economics of space activities in the vicinity of the Earth and Moon in the 2050 time frame, b) identify evolutionary paths, barriers, and opportunities, and c) suggest actions and philosophies to enable and invigorate progress towards the vision. This paper explores Space 2100's first two sprints and their projections of NASA's role in what will likely be a highly networked, international space industry and cis-lunar infrastructure.

Vehicular volatile organic compounds losses due to refueling and diurnal process in China: 2010-2050.

PubMed

Yang, Xiaofan; Liu, Huan; Cui, Hongyang; Man, Hanyang; Fu, Mingliang; Hao, Jiming; He, Kebin

2015-07-01

Volatile organic compounds (VOCs) are crucial to control air pollution in major Chinese cities since VOCs are the dominant factor influencing ambient ozone level, and also an important precursor of secondary organic aerosols. Vehicular evaporative emissions have become a major and growing source of VOC emissions in China. This study consists of lab tests, technology evaluation, emissions modeling, policy projections and cost-benefit analysis to draw a roadmap for China for controlling vehicular evaporative emissions. The analysis suggests that evaporative VOC emissions from China's light-duty gasoline vehicles were approximately 185,000 ton in 2010 and would peak at 1,200,000 ton in 2040 without control. The current control strategy implemented in China, as shown in business as usual (BAU) scenario, will barely reduce the long-term growth in emissions. Even if Stage II gasoline station vapor control policies were extended national wide (BAU+extended Stage II), there would still be over 400,000 ton fuel loss in 2050. In contrast, the implementation of on-board refueling vapor recovery (ORVR) on new cars could reduce 97.5% of evaporative VOCs by 2050 (BAU+ORVR/BAU+delayed ORVR). According to the results, a combined Stage II and ORVR program is a comprehensive solution that provides both short-term and long-term benefits. The net cost to achieve the optimal total evaporative VOC control is approximately 62 billion CNY in 2025 and 149 billion CNY in 2050. Copyright © 2015. Published by Elsevier B.V.

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

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

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

DOE PAGES

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

2017-07-31

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Multifunctional PHPMA-Derived Polymer for Ratiometric pH Sensing, Fluorescence Imaging, and Magnetic Resonance Imaging.

PubMed

Su, Fengyu; Agarwal, Shubhangi; Pan, Tingting; Qiao, Yuan; Zhang, Liqiang; Shi, Zhengwei; Kong, Xiangxing; Day, Kevin; Chen, Meiwan; Meldrum, Deirdre; Kodibagkar, Vikram D; Tian, Yanqing

2018-01-17

In this paper, we report synthesis and characterization of a novel multimodality (MRI/fluorescence) probe for pH sensing and imaging. A multifunctional polymer was derived from poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) and integrated with a naphthalimide-based-ratiometric fluorescence probe and a gadolinium-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid complex (Gd-DOTA complex). The polymer was characterized using UV-vis absorption spectrophotometry, fluorescence spectrofluorophotometry, magnetic resonance imaging (MRI), and confocal microscopy for optical and MRI-based pH sensing and cellular imaging. In vitro labeling of macrophage J774 and esophageal CP-A cell lines shows the polymer's ability to be internalized in the cells. The transverse relaxation time (T 2 ) of the polymer was observed to be pH-dependent, whereas the spin-lattice relaxation time (T 1 ) was not. The pH probe in the polymer shows a strong fluorescence-based ratiometric pH response with emission window changes, exhibiting blue emission under acidic conditions and green emission under basic conditions, respectively. This study provides new materials with multimodalities for pH sensing and imaging.

Tunneling chemical reactions D +H2→DH+H and D +DH→D2+H in solid D2-H2 and HD -H2 mixtures: An electron-spin-resonance study

NASA Astrophysics Data System (ADS)

Kumada, Takayuki

2006-03-01

Tunneling chemical reactions D +H2→DH+H and D +DH→D2+H in solid HD -H2 and D2-H2 mixtures were studied in the temperature range between 4 and 8K. These reactions were initiated by UV photolysis of DI molecules doped in these solids for 30s and followed by measuring the time course of electron-spin-resonance (ESR) intensities of D and H atoms. ESR intensity of D atoms produced by the photolysis decreases but that of H atoms increases with time. Time course of the D and H intensities has the fast and slow processes. The fast process, which finishes within ˜300s after the photolysis, is assigned to the reaction of D atom with one of its nearest-neighboring H2 molecules, D(H2)n(HD)12-n→H(H2)n-1(HD)13-n or D(H2)n(D2)12-n→H(HD )(H2)n-1(D2)12-n for 12⩾n⩾1. Rate constant for the D +H2 reaction between neighboring D atom-H2 molecule pair is determined to be (7.5±0.7)×10-3s-1 in solid HD -H2 and (1.3±0.3)×10-2s-1 in D2-H2 at 4.1K, which is very close to that calculated based on the theory of chemical reaction in gas phase by Hancock et al. [J. Chem. Phys. 91, 3492 (1989)] and Takayanagi and Sato [J. Chem. Phys. 92, 2862 (1990)]. This rate constant was found to be independent of temperature up to 7K within experimental error of ±30%. The slow process is assigned to the reaction of D atom produced in a cage fully surrounded by HD or D2 molecules, D(HD)12 or D(D2)12. This D atom undergoes the D +DH reaction with one of its nearest-neighboring HD molecules in solid HD -H2 or diffuses to the neighbor of H2 molecules to allow the D +H2 reaction in solid HD -H2 and D2-H2. The former is the main channel in solid HD -H2 below 6K where D atoms diffuse very slowly, whereas the latter dominates over the former above 6K. Rate for the reactions in the slow process is independent of temperature below 6K but increases with the increase in temperature above 6K. We found that the increase is due to the increase in hopping rate of D atoms to the neighbor of H2 molecules. Rate

(1)H, (13)C, (15)N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme-nitric oxide/oxygen binding (H-NOX) domain.

PubMed

Alexandropoulos, Ioannis I; Argyriou, Aikaterini I; Marousis, Kostas D; Topouzis, Stavros; Papapetropoulos, Andreas; Spyroulias, Georgios A

2016-10-01

The H-NOX (Heme-nitric oxide/oxygen binding) domain is conserved across eukaryotes and bacteria. In human soluble guanylyl cyclase (sGC) the H-NOX domain functions as a sensor for the gaseous signaling agent nitric oxide (NO). sGC contains the heme-binding H-NOX domain at its N-terminus, which regulates the catalytic site contained within the C-terminal end of the enzyme catalyzing the conversion of GTP (guanosine 5'-triphosphate) to GMP (guanylyl monophosphate). Here, we present the backbone and side-chain assignments of the (1)H, (13)C and (15)N resonances of the 183-residue H-NOX domain from Nostoc sp. through solution NMR.

Noninvasive monitoring of lactate dynamics in human forearm muscle after exhaustive exercise by (1)H-magnetic resonance spectroscopy at 7 tesla.

PubMed

Ren, Jimin; Dean Sherry, A; Malloy, Craig R

2013-09-01

Despite its importance in energy metabolism, lactate in human skeletal muscle has been difficult to detect by noninvasive (1)H-magnetic resonance spectroscopy mainly due to interference from large water and lipid signals. Long echo-time acquisitions at 7 T effectively attenuates the water and lipid signals in forearm muscle allowing direct observation of both lactate resonances, the methine at 4.09 ppm and the methyl at 1.31 ppm. Using this approach, we were able to monitor lactate dynamics at a temporal resolution of 32 s. While lactate was not detectable at rest, immediately after an acute period of exercise to fatigue the forearm muscle, lactate rose to a level comparable to that of creatine (∼30 mmol/kg wet weight). In a typical (1)H-magnetic resonance spectrum collected using a echo-time of 140 ms, the lactate methine and methyl resonances both appear as doublets with an unusually large splitting of ∼20 Hz due to residual dipolar coupling. During muscle recovery following exercise, the lactate signals decay rapidly with a time constant of t½ = 2.0 ± 0.6 min (n = 12 subjects). This fast and simple lactate detection method may prove valuable for monitoring lactate metabolism in cancer and in sports medicine applications. Copyright © 2012 Wiley Periodicals, Inc.

Novel 2D Triple-Resonance NMR Experiments for Sequential Resonance Assignments of Proteins

NASA Astrophysics Data System (ADS)

Ding, Keyang; Gronenborn, Angela M.

2002-06-01

We present 2D versions of the popular triple resonance HN(CO) CACB, HN(COCA)CACB, HN(CO)CAHA, and HN(COCA) CAHA experiments, commonly used for sequential resonance assignments of proteins. These experiments provide information about correlations between amino proton and nitrogen chemical shifts and the α- and β-carbon and α-proton chemical shifts within and between amino acid residues. Using these 2D spectra, sequential resonance assignments of H N, N, C α, C β, and H α nuclei are easily achieved. The resolution of these spectra is identical to the well-resolved 2D 15N- 1H HSQC and H(NCO)CA spectra, with slightly reduced sensitivity compared to their 3D and 4D versions. These types of spectra are ideally suited for exploitation in automated assignment procedures and thereby constitute a fast and efficient means for NMR structural determination of small and medium-sized proteins in solution in structural genomics programs.

1H Magnetic Resonance Spectroscopy of live human sperm.

PubMed

Reynolds, S; Calvert, S J; Paley, M N; Pacey, A A

2017-07-01

Can 1H Magnetic Resonance Spectroscopy (MRS) be used to obtain information about the molecules and metabolites in live human spermatozoa? Percoll-based density gradient centrifugation (DGC) followed by a further two washing steps, yielded enough sperm with minimal contamination (<0.01%) from seminal fluid to permit effective MRS which detected significant differences (P < 0.05) in the choline/glycerophosphocholine (GPC), lipid and lactate regions of the 1H MRS spectrum between sperm in the pellet and those from the 40%/80% interface. Current methods to examine sperm are either limited in their value (e.g. semen analysis) or are destructive (e.g. immunohistochemistry, sperm DNA testing). A few studies have previously used MRS to examine sperm, but these have either looked at seminal plasma from men with different ejaculate qualities or at the molecules present in pooled samples of lyophilized sperm. Sperm suspended in phosphate buffered saline (PBS) at 37°C were examined by 1H MRS scanning using a 1H excitation-sculpting solvent suppression sequence after recovery from fresh ejaculates by one of three different methods: (i) simple centrifugation; (ii) DGC with one wash; or (iii) DGC with two washes. In the case of DGC, sperm were collected both from the pellet ('80%' sperm) and the 40/80 interface ('40%' sperm). Spectrum processing was carried out using custom Matlab scripts to determine; the degree of seminal plasma/Percoll contamination, the minimum sperm concentration for 1H MRS detection and differences between the 1H MRS spectra of '40%' and '80%' sperm. DGC with two washes minimized the 1H MRS peak intensity for both seminal plasma and Percoll/PBS solution contamination while retaining sperm specific peaks. For the MRS scanner used in this study, the minimum sperm concentration required to produce a choline/GPC 1H MRS peak greater than 3:1 signal to noise ratio (SNR) was estimated at ~3 × 106/ml. The choline/GPC and lactate/lipid regions of the 1H spectrum

Visual Impairment and Blindness in Adults in the United States: Demographic and Geographic Variations from 2015 to 2050

PubMed Central

Varma, Rohit; Vajaranant, Thasarat S.; Burkemper, Bruce; Wu, Shuang; Torres, Mina; Hsu, Chunyi; Choudhury, Farzana; McKean-Cowdin, Roberta

2016-01-01

Importance This paper describes the current and projected prevalence of visual impairment (VI) (visual acuity worse than 20/40, but better than 20/200) and blindness (visual acuity 20/200 or worse) in the United States. Objective To determine the demographic and geographic variations in VI and blindness in adults in the US population in 2015 and to estimate the projected prevalence through 2050 Design Descriptive Setting Population-based cross-sectional Participants Pooled data from adults, 40 years and older, from six major population-based studies on VI and blindness in the US. Prevalence of VI and blindness were reported by age, sex, race/ethnicity, and per capita prevalence by state, using the US census projections (2015 – 2050). Main Outcome and Measures Prevalence of VI and blindness Results In 2015, 1.02 million people were blind, and approximately 3.22 million people in the US had VI (best-corrected VA in the better-seeing eye), while up to 8.2 million people had VI due to uncorrected refractive error. By 2050, the number of these conditions are projected to double to approximately 2.01 million people with blindness, 6.95 million people with VI, and 16.4 million with VI due to uncorrected refractive error. The highest numbers of these conditions are predicted among non-Hispanic whites, women, and older adults, however African Americans are projected to experience the highest prevalence of blindness. By 2050, the highest prevalence of VI among minorities will shift from African Americans to Hispanics. From 2015-2050, the states projected to have the highest per-capita prevalence of VI are Florida and Hawaii and highest projected per-capita prevalence of blindness are Mississippi, Louisiana, and Florida. Conclusion & Relevance These data suggest that vision screening for refractive error and early eye disease may reduce or prevent a high proportion of individuals from experiencing unnecessary vision loss and blindness, decrease associated costs to the US

Global Prevalence of Myopia and High Myopia and Temporal Trends from 2000 through 2050.

PubMed

Holden, Brien A; Fricke, Timothy R; Wilson, David A; Jong, Monica; Naidoo, Kovin S; Sankaridurg, Padmaja; Wong, Tien Y; Naduvilath, Thomas J; Resnikoff, Serge

2016-05-01

Myopia is a common cause of vision loss, with uncorrected myopia the leading cause of distance vision impairment globally. Individual studies show variations in the prevalence of myopia and high myopia between regions and ethnic groups, and there continues to be uncertainty regarding increasing prevalence of myopia. Systematic review and meta-analysis. We performed a systematic review and meta-analysis of the prevalence of myopia and high myopia and estimated temporal trends from 2000 to 2050 using data published since 1995. The primary data were gathered into 5-year age groups from 0 to ≥100, in urban or rural populations in each country, standardized to definitions of myopia of -0.50 diopter (D) or less and of high myopia of -5.00 D or less, projected to the year 2010, then meta-analyzed within Global Burden of Disease (GBD) regions. Any urban or rural age group that lacked data in a GBD region took data from the most similar region. The prevalence data were combined with urbanization data and population data from United Nations Population Department (UNPD) to estimate the prevalence of myopia and high myopia in each country of the world. These estimates were combined with myopia change estimates over time derived from regression analysis of published evidence to project to each decade from 2000 through 2050. We included data from 145 studies covering 2.1 million participants. We estimated 1406 million people with myopia (22.9% of the world population; 95% confidence interval [CI], 932-1932 million [15.2%-31.5%]) and 163 million people with high myopia (2.7% of the world population; 95% CI, 86-387 million [1.4%-6.3%]) in 2000. We predict by 2050 there will be 4758 million people with myopia (49.8% of the world population; 3620-6056 million [95% CI, 43.4%-55.7%]) and 938 million people with high myopia (9.8% of the world population; 479-2104 million [95% CI, 5.7%-19.4%]). Myopia and high myopia estimates from 2000 to 2050 suggest significant increases in

Source influence on emission pathways and ambient PM2.5 pollution over India (2015-2050)

NASA Astrophysics Data System (ADS)

Venkataraman, Chandra; Brauer, Michael; Tibrewal, Kushal; Sadavarte, Pankaj; Ma, Qiao; Cohen, Aaron; Chaliyakunnel, Sreelekha; Frostad, Joseph; Klimont, Zbigniew; Martin, Randall V.; Millet, Dylan B.; Philip, Sajeev; Walker, Katherine; Wang, Shuxiao

2018-06-01

India is currently experiencing degraded air quality, and future economic development will lead to challenges for air quality management. Scenarios of sectoral emissions of fine particulate matter and its precursors were developed and evaluated for 2015-2050, under specific pathways of diffusion of cleaner and more energy-efficient technologies. The impacts of individual source sectors on PM2.5 concentrations were assessed through systematic simulations of spatially and temporally resolved particulate matter concentrations, using the GEOS-Chem model, followed by population-weighted aggregation to national and state levels. We find that PM2.5 pollution is a pan-India problem, with a regional character, and is not limited to urban areas or megacities. Under present-day emissions, levels in most states exceeded the national PM2.5 annual standard (40 µg m-3). Sources related to human activities were responsible for the largest proportion of the present-day population exposure to PM2.5 in India. About 60 % of India's mean population-weighted PM2.5 concentrations come from anthropogenic source sectors, while the remainder are from other sources, windblown dust and extra-regional sources. Leading contributors are residential biomass combustion, power plant and industrial coal combustion and anthropogenic dust (including coal fly ash, fugitive road dust and waste burning). Transportation, brick production and distributed diesel were other contributors to PM2.5. Future evolution of emissions under regulations set at current levels and promulgated levels caused further deterioration of air quality in 2030 and 2050. Under an ambitious prospective policy scenario, promoting very large shifts away from traditional biomass technologies and coal-based electricity generation, significant reductions in PM2.5 levels are achievable in 2030 and 2050. Effective mitigation of future air pollution in India requires adoption of aggressive prospective regulation, currently not

Deaths in the United States among persons with Alzheimer's disease (2010-2050).

PubMed

Weuve, Jennifer; Hebert, Liesi E; Scherr, Paul A; Evans, Denis A

2014-03-01

Alzheimer's disease (AD) profoundly affects the end-of-life experience. Yet, counts of deaths attributable to AD understate this burden of AD in the population. Therefore, we estimated the annual number of deaths in the United States among older adults with AD from 2010 to 2050. We calculated probabilities of AD incidence and mortality from a longitudinal population-based study of 10,802 participants. From this population, 1913 previously disease-free individuals, selected via stratified random sampling, underwent 2577 detailed clinical evaluations. Over the course of follow-up, 990 participants died. We computed age-, sex-, race-, and education-specific AD incidences and education-adjusted AD mortality proportions specific to age, sex, and race group. We then combined these probabilities with US-wide census, education, and mortality data. In 2010, approximately 600,000 deaths occurred among individuals aged 65 years or older with AD, comprising 32% of all older adult deaths. By 2050, this number is projected to be 1.6 million, 43% of all older adult deaths. Individuals with AD comprise a substantial number of older adult deaths in the United States, a number expected to rise considerably in coming decades. Copyright © 2014 The Alzheimer's Association. Published by Elsevier Inc. All rights reserved.

Direct assignment of the cysteinyl, the slowly exchangeable, and the aromatic ring H nuclear magnetic resonances in clostridial-type ferredoxins. [Clostridium acidi-urici, C. pasteurianum, C. perfringens, Peptococcus aerogenes

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

Packer, E.L.; Sweeney, W.V.; Rabinowitz, J.C.

1977-04-10

We have directly assigned the /sup 1/H NMR corresponding to the cysteinyl protons, the slowly exchangeable protons, and the aromatic ring protons in the /sup 1/H NMR spectrum of Clostridium acidi-urici ferredoxin by isotopic labeling and /sup 13/C NMR decoupling techniques. We also show that the resonance pattern in the 8- to 20-ppM (from 2,2-dimethyl-2-sialapentanesulfonic acid) region of the /sup 1/H NMR spectra of oxidized Clostridium acidi-urici, Clostridium pasteurianum, Clostridium perfringens, and Peptococcus aerogenes ferredoxins are very similar, and we assign the resonances in this region by analogy with the spectrum of C. acidi-urici ferredoxin. The /sup 1/H NMR spectramore » of the ..beta.. protons of the cysteinyl residues of these ferredoxins differ, however, from the /sup 1/H NMR spectra of equivalent ..beta.. protons of the methylene carbon atoms bonded via a sulfur atom to (4Fe-4S) clusters in synthetic inorganic analogues. In the spectra of the synthetic compounds, the ..beta.. protons appear as a single resonance shifted 10 ppM from its unbonded reference position. In the spectra of oxidized clostridial ferredoxins, the cysteinyl ..beta.. protons appear as a series of at least eight resolved resonances with shifts that range from 6 to 14 ppM, relative to the free amino acid resonance position.« less

Erbium-doped fiber ring resonator for resonant fiber optical gyro applications

NASA Astrophysics Data System (ADS)

Li, Chunming; Zhao, Rui; Tang, Jun; Xia, Meijing; Guo, Huiting; Xie, Chengfeng; Wang, Lei; Liu, Jun

2018-04-01

This paper reports a fiber ring resonator with erbium-doped fiber (EDF) for resonant fiber optical gyro (RFOG). To analyze compensation mechanism of the EDF on resonator, a mathematical model of the erbium-doped fiber ring resonator (EDFRR) is established based on Jones matrix to be followed by the design and fabrication of a tunable EDFRR. The performances of the fabricated EDFRR were measured and the experimental Q-factor of 2 . 47 × 108 and resonant depth of 109% were acquired separately. Compared with the resonator without the EDF, the resonant depth and Q-factor of the proposed device are increased by 2.5 times and 14 times, respectively. A potential optimum shot noise limited resolution of 0 . 042∘ / h can be obtained for the RFOG, which is promising for low-cost and high precise detection.

SCENARIOS FOR MEETING CALIFORNIA'S 2050 CLIMATE GOALS California's Carbon Challenge Phase II Volume I: Non-Electricity Sectors and Overall Scenario Results

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

Wei, Max; Greenblatt, Jeffrey; Donovan, Sally

2014-06-01

This study provides an updated analysis of long-term energy system scenarios for California consistent with the State meeting its 2050 climate goal, including detailed analysis and assessment of electricity system build-out, operation, and costs across the Western Electricity Coordinating Council (WECC) region. Four key elements are found to be critical for the State to achieve its 2050 goal of 80 percent greenhouse (GHG) reductions from the 1990 level: aggressive energy efficiency; clean electricity; widespread electrification of passenger vehicles, building heating, and industry heating; and large-scale production of low-carbon footprint biofuels to largely replace petroleum-based liquid fuels. The approach taken heremore » is that technically achievable energy efficiency measures are assumed to be achieved by 2050 and aggregated with the other key elements mentioned above to estimate resultant emissions in 2050. The energy and non-energy sectors are each assumed to have the objective of meeting an 80 percent reduction from their respective 1990 GHG levels for the purposes of analysis. A different partitioning of energy and non-energy sector GHG greenhouse reductions is allowed if emission reductions in one sector are more economic or technically achievable than in the other. Similarly, within the energy or non-energy sectors, greater or less than 80 percent reduction from 1990 is allowed for sub-sectors within the energy or non-energy sectors as long as the overall target is achieved. Overall emissions for the key economy-wide scenarios are considered in this report. All scenarios are compliant or nearly compliant with the 2050 goal. This finding suggests that multiple technical pathways exist to achieve the target with aggressive policy support and continued technology development of largely existing technologies.« less

Germinating the 2050 Cis-Lunar Econosphere

NASA Technical Reports Server (NTRS)

Scott, David W.; Tinker, Michael L.; Nall, Mark E.; Wright, Gregory M.

2015-01-01

In early 2013, the Marshall Space Flight Center (MSFC) Director and MSFC's Office of Strategic Analysis and Communications (OSAC) chartered a diverse team for a six-week "sprint" to speculate (in a disciplined manner) and paint (with broad brush strokes) a picture of how earth, space, and public/private entities might be operating and relating to each other...in the year 2100. Two 12-person groups of civil servants, one with members having 15 years or less of NASA experience and the other with more senior members, worked independently and then compared and integrated their conclusions. In 2014, the "Space 2100" team, with some new team members and different group boundaries, ran a longer sprint to a) develop more detailed estimates of the operations and economics of space activities in the vicinity of the Earth and Moon in the 2050 time frame, b) identify evolutionary steps and viable paths needed to make that a reality, and c) recommend actions to enable and invigorate those steps. This paper explores Space 2100's first two sprints and their projections of NASA's role in what will likely be a highly networked international space industry and cis-lunar infrastructure.

1H, 15N and 13C backbone and side-chain resonance assignments of a family 32 carbohydrate-binding module from the Clostridium perfringens NagH.

PubMed

Grondin, Julie M; Chitayat, Seth; Ficko-Blean, Elizabeth; Boraston, Alisdair B; Smith, Steven P

2012-10-01

The Gram-positive anaerobe Clostridium perfringens is an opportunistic bacterial pathogen that secretes a battery of enzymes involved in glycan degradation. These glycoside hydrolases are thought to be involved in turnover of mucosal layer glycans, and in the spread of major toxins commonly associated with the development of gastrointestinal diseases and gas gangrene in humans. These enzymes employ multi-modularity and carbohydrate-binding function to degrade extracellular eukaryotic host sugars. Here, we report the full (1)H, (15)N and (13)C chemical shift resonance assignments of the first family 32 carbohydrate-binding module from NagH, a secreted family 84 glycoside hydrolase.

Electron scattering by the hydrocarbons C4H6,C5H8 , and C6H10

NASA Astrophysics Data System (ADS)

Kiataki, Matheus B.; Pastega, Diego F.; Bettega, Márcio H. F.

2017-10-01

We report calculated elastic integral and differential cross sections for electron collisions with the hydrocarbons 1,3-butadiene (C4H6 ), 2-methyl-1,3-butadiene (C5H8 ), and 2,3-dimethyl-1,3-butadiene (C6H10 ) for impact energies up to 15 eV. Our calculations were performed with the Schwinger Multichannel Method with pseudopotentials, in the static-exchange and static-exchange plus polarization approximations. These molecules differ for the presence of one methyl group, in the case of C5H8 , and two methyl groups, in the case of C6H10 in substitution of one and two hydrogen atoms in C4H6 , respectively (methylation effect). For the polar molecule 2-methyl-1,3-butadiene, we included the Born closure procedure in order to account for the long-range potential. We found two π* shape resonances in the integral cross section of each one of the molecules studied. The present results are also compared with the experimental values for the resonances positions and with total cross sections available in the literature. In particular, we show that the minimum in the total cross section of C5H8 located at around 1.6 eV and assigned by the authors as a Ramsauer-Townsend minimum is, actually, a valley between the two π* shape resonances. Also for the C5H8 molecule, the enhancement in the total cross section below 1.6 eV is the tail of the low-lying shape resonance and not an effect due to its permanent dipole moment, as suggested by the authors. We discuss the influence of the methylation effect in the shape and magnitude of the elastic cross sections and also in the location of the π* shape resonances of these hydrocarbons.

Biomass carbon stocks in China's forests between 2000 and 2050: a prediction based on forest biomass-age relationships.

PubMed

Xu, Bing; Guo, ZhaoDi; Piao, ShiLong; Fang, JingYun

2010-07-01

China's forests are characterized by young forest age, low carbon density and a large area of planted forests, and thus have high potential to act as carbon sinks in the future. Using China's national forest inventory data during 1994-1998 and 1999-2003, and direct field measurements, we investigated the relationships between forest biomass density and forest age for 36 major forest types. Statistical approaches and the predicted future forest area from the national forestry development plan were applied to estimate the potential of forest biomass carbon storage in China during 2000-2050. Under an assumption of continuous natural forest growth, China's existing forest biomass carbon (C) stock would increase from 5.86 Pg C (1 Pg=10(15) g) in 1999-2003 to 10.23 Pg C in 2050, resulting in a total increase of 4.37 Pg C. Newly planted forests through afforestation and reforestation will sequestrate an additional 2.86 Pg C in biomass. Overall, China's forests will potentially act as a carbon sink for 7.23 Pg C during the period 2000-2050, with an average carbon sink of 0.14 Pg C yr(-1). This suggests that China's forests will be a significant carbon sink in the next 50 years.

Protein-protein Förster resonance energy transfer analysis of nucleosome core particles containing H2A and H2A.Z.

PubMed

Hoch, Duane A; Stratton, Jessica J; Gloss, Lisa M

2007-08-24

A protein-protein Förster resonance energy transfer (FRET) system, employing probes at multiple positions, was designed to specifically monitor the dissociation of the H2A-H2B dimer from the nucleosome core particle (NCP). Tryptophan donors and Cys-AEDANS acceptors were chosen because, compared to previous NCP FRET fluorophores, they: (1) are smaller and less hydrophobic, which should minimize perturbations of histone and NCP structure; and (2) have an R0 of 20 A, which is much less than the dimensions of the NCP (approximately 50 A width and approximately 100 A diameter). Equilibrium protein unfolding titrations indicate that the donor and acceptor moieties have minimal effects on the stability of the H2A-H2B dimer and (H3-H4)2 tetramer. NCPs containing the various FRET pairs were reconstituted with the 601 DNA positioning element. Equilibrium NaCl-induced dissociation of the modified NCPs showed that the 601 sequence stabilized the NCP to dimer dissociation relative to weaker positioning sequences. This finding implies a significant role for the H2A-H2B dimers in determining the DNA sequence dependence of NCP stability. The free energy of dissociation determined from reversible and well-defined sigmoidal transitions revealed two distinct phases reflecting the dissociation of individual H2A-H2B dimers, confirming cooperativity as suggested previously; these data allow quantitative description of the cooperativity. The FRET system was then used to study the effects of the histone variant H2A.Z on NCP stability; previous studies have reported both destabilizing and stabilizing effects. H2A.Z FRET NCP dissociation transitions suggest a slight increase in stability but a significant increase in cooperativity of the dimer dissociations. Thus, the utility of this protein-protein FRET system to monitor the effects of histone variants on NCP dynamics has been demonstrated, and the system appears equally well-suited for dissection of the kinetic processes of dimer

Water scarcity and economic damage in Europe: regionally relevant simulations from 2000 to 2050

NASA Astrophysics Data System (ADS)

Bernhard, Jeroen; de Roo, Ad; Bisselink, Bernard; Gelati, Emiliano; Karssenberg, Derek; de Jong, Steven

2017-04-01

Water availability is unequally distributed across Europe. Where certain regions experience a surplus of water, other areas have limited water availability which causes economic damage to the water using sectors such as households, industries or agriculture. Future changes in climatic and socio-economic conditions are expected to further increase the competition for available water that is already present in Europe. This means there is an increasing need for models that are able to simulate this multi-sectorial system of water availability and demand and incorporate the socio-economic component required for robust decisions and policy support. We present our modelling study which is focused at providing regionally relevant pan-European water scarcity and economic damage simulations. First we developed regionally relevant pan-European water demand simulations for the household and industry sector from 2000 up to 2050. For the household sector we developed a model to simulate water use based on water price, income and several other relevant variables at NUTS-3 level (over 1200 regions in Europe). Alternatively, we modelled industrial water use based on regionally downscaled water productivity values at the national level for ten sub-sections of the NACE (Nomenclature of Economic Activities) classification for economic activities. Subsequently we used scenario projections of our explanatory variables to make scenario simulations of water demand from 2000 up to 2050 at pan-European scale with unprecedented spatial and sub-sectorial detail. In order to analyze the European water use system we integrated these water demand scenarios into the hydrological rainfall-runoff model called LISFLOOD (Distributed Water Balance and Flood Simulation Model), which incorporates a vegetation module for the simulation of crop yield and irrigation water demand of the agriculture sector. We simulated river discharge and groundwater availability for abstractions of water using sectors

Protein-Protein Förster Resonance Energy Transfer Analysis of Nucleosome Core Particles Containing H2A and H2A.Z

PubMed Central

Hoch, Duane A.; Stratton, Jessica J.; Gloss, Lisa M.

2007-01-01

A protein-protein Förster resonance energy transfer (FRET) system, employing probes at multiple positions, was designed to specifically monitor the dissociation of the H2A-H2B dimer from the nucleosome core particle (NCP). Tryptophan donors and Cys-AEDANS acceptors were chosen because, in comparison to fluorophores used in previous NCP FRET studies, they: 1) are smaller and less hydrophobic which should minimize perturbations of histone and NCP structure; and 2) have an R0 of 20 Å, which is much less than the dimensions of the NCP (~50 Å width and ~100 Å diameter). CD and FL equilibrium protein unfolding titrations indicate that the donor and acceptor moieties have minimal effects on the stability of the H2A-H2B dimer and (H3-H4)2 tetramer. NCPs containing the various FRET pairs were reconstituted with the 601 artificial positioning DNA sequence. Equilibrium NaCl-induced dissociation of the modified NCPs showed that the 601 sequence stabilized the NCP to dimer dissociation as compared to previous studies using weaker positioning sequences. This finding implies a significant role for the H2A-H2B dimers in determining the DNA sequence dependence of NCP stability. The free energy of dissociation determined from reversible and well-defined sigmoidal transitions revealed two distinct phases reflecting the dissociation of each H2A-H2B dimer, confirming cooperativity in dimer dissociation. While cooperativity in the association/dissociation of the H2A-H2B dimers has been suggested previously, these data allow its quantitative description. The protein-protein FRET system was then used to study the effects of the histone variant H2A.Z on NCP stability; previous studies have reported both destabilizing and stabilizing effects. Comparison of the H2A and H2A.Z FRET NCP dissociation transitions suggest a slight increase in stability but a significant increase in cooperativity for dimer dissociation from H2A.Z NCPs. Thus, the utility of this protein-protein FRET system to

1H Magnetic Resonance Spectroscopy of live human sperm

PubMed Central

Calvert, S J; Paley, M N; Pacey, A A

2017-01-01

Abstract STUDY QUESTION Can 1H Magnetic Resonance Spectroscopy (MRS) be used to obtain information about the molecules and metabolites in live human spermatozoa? SUMMARY ANSWER Percoll-based density gradient centrifugation (DGC) followed by a further two washing steps, yielded enough sperm with minimal contamination (<0.01%) from seminal fluid to permit effective MRS which detected significant differences (P < 0.05) in the choline/glycerophosphocholine (GPC), lipid and lactate regions of the 1H MRS spectrum between sperm in the pellet and those from the 40%/80% interface. WHAT IS KNOWN ALREADY Current methods to examine sperm are either limited in their value (e.g. semen analysis) or are destructive (e.g. immunohistochemistry, sperm DNA testing). A few studies have previously used MRS to examine sperm, but these have either looked at seminal plasma from men with different ejaculate qualities or at the molecules present in pooled samples of lyophilized sperm. STUDY DESIGN, SAMPLES/MATERIALS, METHODS Sperm suspended in phosphate buffered saline (PBS) at 37°C were examined by 1H MRS scanning using a 1H excitation-sculpting solvent suppression sequence after recovery from fresh ejaculates by one of three different methods: (i) simple centrifugation; (ii) DGC with one wash; or (iii) DGC with two washes. In the case of DGC, sperm were collected both from the pellet (‘80%’ sperm) and the 40/80 interface (‘40%’ sperm). Spectrum processing was carried out using custom Matlab scripts to determine; the degree of seminal plasma/Percoll contamination, the minimum sperm concentration for 1H MRS detection and differences between the 1H MRS spectra of ‘40%’ and ‘80%’ sperm. MAIN RESULTS AND THE ROLE OF CHANCE DGC with two washes minimized the 1H MRS peak intensity for both seminal plasma and Percoll/PBS solution contamination while retaining sperm specific peaks. For the MRS scanner used in this study, the minimum sperm concentration required to produce a choline

Global Human Appropriation of Net Primary Production and Associated Resource Decoupling: 2010-2050.

PubMed

Zhou, Chuanbin; Elshkaki, Ayman; Graedel, T E

2018-02-06

Human appropriation of net primary production (HANPP) methodology has previously been developed to assess the intensity of anthropogenic extraction of biomass resources. However, there is limited analysis concerning future trends of HANPP. Here we present four scenarios for global biomass demand and HANPP harv (the most key component of HANPP) from 2010 to 2050 by incorporating data on expanded historical drivers and disaggregated biomass demand (food, wood material, and fuelwood). The results show that the biomass demand has the lowest value in the equitability world scenario (an egalitarian vision) and the highest value in the security foremost scenario (an isolationist vision). The biomass demand for food and materials increases over time, while fuelwood demand decreases over time. Global HANPP harv rises to between 8.5 and 10.1 Pg C/yr in 2050 in the four scenarios, 14-35% above its value in 2010, and some 50% of HANPP harv is calculated to be crop residues, wood residues, and food losses in the future. HANPP harv in developing regions (Asia, Africa, and Latin America) increases faster than that in more-developed regions (North America and Europe), due to urbanization, population growth, and increasing income. Decoupling of HANPP harv and socioeconomic development is also discussed in this work.

Scenarios for Deep Carbon Emission Reductions from Electricity by 2050 in Western North America using the Switch Electric Power Sector Planning Model: California's Carbon Challenge Phase II, Volume II

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

Nelson, James; Mileva, Ana; Johnston, Josiah

2014-01-01

This study used a state-of-the-art planning model called SWITCH for the electric power system to investigate the evolution of the power systems of California and western North America from present-day to 2050 in the context of deep decarbonization of the economy. Researchers concluded that drastic power system carbon emission reductions were feasible by 2050 under a wide range of possible futures. The average cost of power in 2050 would range between $149 to $232 per megawatt hour across scenarios, a 21 to 88 percent increase relative to a business-as-usual scenario, and a 38 to 115 percent increase relative to themore » present-day cost of power. The power system would need to undergo sweeping change to rapidly decarbonize. Between present-day and 2030 the evolution of the Western Electricity Coordinating Council power system was dominated by implementing aggressive energy efficiency measures, installing renewable energy and gas-fired generation facilities and retiring coal-fired generation. Deploying wind, solar and geothermal power in the 2040 timeframe reduced power system emissions by displacing gas-fired generation. This trend continued for wind and solar in the 2050 timeframe but was accompanied by large amounts of new storage and long-distance high-voltage transmission capacity. Electricity storage was used primarily to move solar energy from the daytime into the night to charge electric vehicles and meet demand from electrified heating. Transmission capacity over the California border increased by 40 - 220 percent by 2050, implying that transmission siting, permitting, and regional cooperation will become increasingly important. California remained a net electricity importer in all scenarios investigated. Wind and solar power were key elements in power system decarbonization in 2050 if no new nuclear capacity was built. The amount of installed gas capacity remained relatively constant between present-day and 2050, although carbon capture and

Nanoparticle-coated micro-optofluidic ring resonator as a detector for microscale gas chromatographic vapor analysis

NASA Astrophysics Data System (ADS)

Scholten, K.; Collin, W. R.; Fan, X.; Zellers, E. T.

2015-05-01

A vapor sensor comprising a nanoparticle-coated microfabricated optofluidic ring resonator (μOFRR) is introduced. A multilayer film of polyether functionalized, thiolate-monolayer-protected gold nanoparticles (MPN) was solvent cast on the inner wall of the hollow cylindrical SiOx μOFRR resonator structure, and whispering gallery mode (WGM) resonances were generated with a 1550 nm tunable laser via an optical fiber taper. Reversible shifts in the WGM resonant wavelength upon vapor exposure were detected with a photodetector. The μOFRR chip was connected to a pair of upstream etched-Si chips containing PDMS-coated separation μcolumns and calibration curves were generated from the peak-area responses to five volatile organic compounds (VOCs). Calibration curves were linear, and the sensitivities reflected the influence of analyte volatility and analyte-MPN functional group affinity. Sorption-induced changes in film thickness apparently dominate over changes in the refractive index of the film as the determinant of responses for all VOCs. Peaks from the MPN-coated μOFRR were just 20-50% wider than those from a flame ionization detector for similar μcolumn separation conditions, reflecting the rapid response of the sensor for VOCs. The five VOCs were baseline separated in <1.67 min, with detection limits as low as 38 ng.

Nanoparticle-coated micro-optofluidic ring resonator as a detector for microscale gas chromatographic vapor analysis.

PubMed

Scholten, K; Collin, W R; Fan, X; Zellers, E T

2015-05-28

A vapor sensor comprising a nanoparticle-coated microfabricated optofluidic ring resonator (μOFRR) is introduced. A multilayer film of polyether functionalized, thiolate-monolayer-protected gold nanoparticles (MPN) was solvent cast on the inner wall of the hollow cylindrical SiOxμOFRR resonator structure, and whispering gallery mode (WGM) resonances were generated with a 1550 nm tunable laser via an optical fiber taper. Reversible shifts in the WGM resonant wavelength upon vapor exposure were detected with a photodetector. The μOFRR chip was connected to a pair of upstream etched-Si chips containing PDMS-coated separation μcolumns and calibration curves were generated from the peak-area responses to five volatile organic compounds (VOCs). Calibration curves were linear, and the sensitivities reflected the influence of analyte volatility and analyte-MPN functional group affinity. Sorption-induced changes in film thickness apparently dominate over changes in the refractive index of the film as the determinant of responses for all VOCs. Peaks from the MPN-coated μOFRR were just 20-50% wider than those from a flame ionization detector for similar μcolumn separation conditions, reflecting the rapid response of the sensor for VOCs. The five VOCs were baseline separated in <1.67 min, with detection limits as low as 38 ng.

Global bioenergy potentials from agricultural land in 2050: Sensitivity to climate change, diets and yields

PubMed Central

Haberl, Helmut; Erb, Karl-Heinz; Krausmann, Fridolin; Bondeau, Alberte; Lauk, Christian; Müller, Christoph; Plutzar, Christoph; Steinberger, Julia K.

2011-01-01

There is a growing recognition that the interrelations between agriculture, food, bioenergy, and climate change have to be better understood in order to derive more realistic estimates of future bioenergy potentials. This article estimates global bioenergy potentials in the year 2050, following a “food first” approach. It presents integrated food, livestock, agriculture, and bioenergy scenarios for the year 2050 based on a consistent representation of FAO projections of future agricultural development in a global biomass balance model. The model discerns 11 regions, 10 crop aggregates, 2 livestock aggregates, and 10 food aggregates. It incorporates detailed accounts of land use, global net primary production (NPP) and its human appropriation as well as socioeconomic biomass flow balances for the year 2000 that are modified according to a set of scenario assumptions to derive the biomass potential for 2050. We calculate the amount of biomass required to feed humans and livestock, considering losses between biomass supply and provision of final products. Based on this biomass balance as well as on global land-use data, we evaluate the potential to grow bioenergy crops and estimate the residue potentials from cropland (forestry is outside the scope of this study). We assess the sensitivity of the biomass potential to assumptions on diets, agricultural yields, cropland expansion and climate change. We use the dynamic global vegetation model LPJmL to evaluate possible impacts of changes in temperature, precipitation, and elevated CO2 on agricultural yields. We find that the gross (primary) bioenergy potential ranges from 64 to 161 EJ y−1, depending on climate impact, yields and diet, while the dependency on cropland expansion is weak. We conclude that food requirements for a growing world population, in particular feed required for livestock, strongly influence bioenergy potentials, and that integrated approaches are needed to optimize food and bioenergy supply

The global technical potential of bio-energy in 2050 considering sustainability constraints

PubMed Central

Haberl, Helmut; Beringer, Tim; Bhattacharya, Sribas C; Erb, Karl-Heinz; Hoogwijk, Monique

2010-01-01

Bio-energy, that is, energy produced from organic non-fossil material of biological origin, is promoted as a substitute for non-renewable (e.g., fossil) energy to reduce greenhouse gas (GHG) emissions and dependency on energy imports. At present, global bio-energy use amounts to approximately 50 EJ/yr, about 10% of humanity's primary energy supply. We here review recent literature on the amount of bio-energy that could be supplied globally in 2050, given current expectations on technology, food demand and environmental targets (‘technical potential’). Recent studies span a large range of global bio-energy potentials from ≈30 to over 1000 EJ/yr. In our opinion, the high end of the range is implausible because of (1) overestimation of the area available for bio-energy crops due to insufficient consideration of constraints (e.g., area for food, feed or nature conservation) and (2) too high yield expectations resulting from extrapolation of plot-based studies to large, less productive areas. According to this review, the global technical primary bio-energy potential in 2050 is in the range of 160–270 EJ/yr if sustainability criteria are considered. The potential of bio-energy crops is at the lower end of previously published ranges, while residues from food production and forestry could provide significant amounts of energy based on an integrated optimization (‘cascade utilization’) of biomass flows. PMID:24069093

Probing peptide fragment ion structures by combining sustained off-resonance collision-induced dissociation and gas-phase H/D exchange (SORI-HDX) in Fourier transform ion-cyclotron resonance (FT-ICR) instruments.

PubMed

Somogyi, Arpád

2008-12-01

The usefulness of gas-phase H/D exchange is demonstrated to probe heterogeneous fragment and parent ion populations. Singly and multiply protonated peptides/proteins were fragmented by using sustained off-resonance irradiation collision-induced dissociation (SORI-CID). The fragments and the surviving precursor ions then all undergo H/D exchange in the gas-phase with either D(2)O or CD(3)OD under the same experimental conditions. Usually, 10 to 60 s of reaction time is adequate to monitor characteristic differences in the H/D exchange kinetic rates. These differences are then correlated to isomeric ion structures. The SORI-HDX method can be used to rapidly test fragment ion structures and provides useful insights into peptide fragmentation mechanisms.

Estimated HCFC-22 emissions for 1990-2050 in China and the increasing contribution to global emissions

NASA Astrophysics Data System (ADS)

Li, Zhifang; Bie, Pengju; Wang, Ziyuan; Zhang, Zhaoyang; Jiang, Hanyu; Xu, Weiguang; Zhang, Jianbo; Hu, Jianxin

2016-05-01

Chlorodifluoromethane (CHClF2, HCFC-22) is a widely used refrigerant and foaming agent that is not only an ozone-depleting substance (ozone depletion potential (ODP), 0.04) but also a greenhouse gas (global warming potential (GWP), 1780). A comprehensive historical emission inventory for 1990-2014 was produced using a bottom-up method, and a projection through to 2050 was made for China. The results demonstrated that historical emissions increased sharply from 0.2 Gg/yr in 1990 to 127.2 Gg/yr in 2014. Room air-conditioners (RACs), industrial and commercial refrigeration (ICR), and extruded polystyrene (XPS) were three primary emission sources, and accounted for an average of 95.4% of the total emissions over the period studied. The percentage of global HCFC-22 emissions originating from China significantly increased from 0.1% in 1990 to 31.6% in 2012, with an average growth rate of 1.4% per year. Under the Montreal Protocol phasing-out (MPPO) scenario, future emissions were expected to reach a peak of 133.5 Gg/yr in 2016 and then continuously decline to 10.2 Gg/yr in 2050. The accumulative reduction for 2015-2050 would be 5533.8 Gg (equivalent to 221.4 CFC-11-eq Gg and 9850.1 CO2-eq Tg), which is approximately equivalent to the total CO2 emission for China in 2012 (9900 Tg) (Olivier et al., 2013), compared with the no Montreal Protocol scenario (NMP). Under the MPPO scenario, two cases were analyzed to explore the future emission ranges in China. A comparison between the two cases implied that the choice of emission reduction policy will have a considerable impact on HCFC-22 emissions.

The far-infrared laser magnetic resonance spectrum of the SiH radical and determination of ground state parameters

NASA Technical Reports Server (NTRS)

Brown, J. M.; Curl, R. F.; Evenson, K. M.

1984-01-01

The far-infrared laser magnetic resonance spectrum of the SiH radical in the v = O level of its X2Pi state has been recorded. The signals are rather weak. The molecules were generated in the reaction between fluorine atoms and SiH4. Rotational transitions have been detected in both 2Pi1/2 and 2Pi3/2 spin components but no fine structure transitions between the spin components were observed. Proton hyperfine splittings were resolved on some lines. The measurements have been analyzed, subjected to a least-squares fit using an effective Hamiltonian, and the appropriate molecular parameters determined. The weakness of the spectrum and the failure of attempts to power saturate favorable lines are both consistent with a small value for the electric dipole moment for SiH.

Indonesia palm oil production without deforestation and peat conversion by 2050.

PubMed

Afriyanti, Dian; Kroeze, Carolien; Saad, Asmadi

2016-07-01

Palm oil is a promising source of cooking oil and biodiesel. The demand for palm oil has been increasing worldwide. However, concerns exist surrounding the environmental and socio-economic sustainability of palm oil production. Indonesia is a major palm oil producing country. We explored scenarios for palm oil production in Indonesia until 2050, focusing on Sumatra, Kalimantan and Papua. Our scenarios describe possible trends in crude palm oil production in Indonesia, while considering the demand for cooking oil and biodiesel, the available land for plantations, production capacity (for crude palm oil and fresh fruit bunches) and environmentally restricting conditions. We first assessed past developments in palm oil production. Next, we analysed scenarios for the future. In the past 20years, 95% of the Indonesian oil palm production area was in Sumatra and Kalimantan and was increasingly cultivated in peatlands. Our scenarios for the future indicate that Indonesia can meet a considerable part of the global and Asian demand for palm oil, while avoiding further cultivation of peatlands and forest. By 2050, 264-447Mt crude palm oil may be needed for cooking oil and biodiesel worldwide. In Indonesia, the area that is potentially suitable for oil palm is 17 to 26Mha with a potential production rate of 27-38t fresh fruit bunches/ha, yielding 130-176Mt crude palm oil. Thus Indonesia can meet 39-60% of the international demand. In our scenarios this would be produced in Sumatra (21-26%), Kalimantan (12-16%), and Papua (2%). The potential areas include the current oil palm plantation in mineral lands, but exclude the current oil palm plantations in peatlands. Copyright © 2016 Elsevier B.V. All rights reserved.

Resonant Enhanced Modulators

DTIC Science & Technology

2004-05-01

Lepore, M. H. Kwakernaak, H. Mohseni, G. A. Pajer, G. Griffel , D. Bechtle, A. F. Ulmer, Z. A. Shellenbarger, H. An, I. Adesida, S. Rommel, J-W...Advanced nanofabrication and advanced process development Giora Griffel – Ring resonator concept Daniel W. Bechtle – RF electrode design University of...conducted in glass microspheres by Giora Griffel (then at Polytechnic University) and other workers. Extremely high quality factors (Q’s) could be

Simulation of groundwater flow and pumping scenarios for 1900–2050 near Mount Pleasant, South Carolina

USGS Publications Warehouse

Fine, Jason M.; Petkewich, Matthew D.; Campbell, Bruce G.

2017-10-31

/d; Scenario 5—minimize MPW surface-water purchase from the Charleston Water System by adding supply wells and increasing withdrawals from the Middendorf aquifer from 3.9 Mgal/d (in 2015) to 12.16 Mgal/d; and Scenario 6—same as Scenario 1, but with he addition of quarterly model stress periods to simulate seasonal variations in the groundwater withdrawals. Results from the simulations indicated further decline of groundwater levels creating cones of depressions near pumping wells in the Middendorf aquifer in the Mount Pleasant, South Carolina, area between 2015 and 2050 for all six scenarios.Simulation results from Scenario 1 showed an average decline of about 150 feet in the groundwater levels of the MPW production wells. Simulated hydrographs for two area observation wells illustrate the gradual decline in groundwater levels with overall changes in water-level altitudes of –92 and –33 feet, respectively. Simulated groundwater altitudes at a hypothetical observation well located in the MPW well field declined 121 feet between 2015 and 2050.Scenarios 2 and 3 have the same pumping rates as Scenario 1 for the MPW production wells; however, a single hypothetical pumping well was added in the Middendorf aquifer near the town of Moncks Corner, South Carolina. This hypothetical pumping well has a withdrawal rate of 0.5 Mgal/d for Scenario 2 and 1.5 Mgal/d for Scenario 3. A comparison to the 2050 Scenario 1 simulation indicates groundwater altitudes for Scenarios 2 and Scenario 3 are 3 feet and 8 feet lower, respectively, at the MPW production wells.Scenario 4 simulates the maximum pumping capacity of 10.16 Mgal/d for the MPW network of production wells. Simulated 2050 groundwater altitudes for this simulation declined to –359 feet. Simulated hydrographs for two observation wells show groundwater-level declines of 116 and 41 feet, respectively. Simulated differences in groundwater altitudes at a hypothetical observation well located in the MPW well field indicate a water

A flash photolysis-resonance fluorescence study of the formation of O(D-1) in the photolysis of water and reaction of O(D-1) with H2, Ar and He

NASA Technical Reports Server (NTRS)

Stief, L. J.; Payne, W. A.; Klemm, R. B.

1974-01-01

The relative importance of two primary processes in the photolyis of water: (1) H2O + h (nu) yields H + OH, and (2) H2O + h (nu) yields H2 + OD-1 were determined in a direct manner by time resolved detection (via resonance fluorescence) of H and O formed in processes 1 and 2 respectively. The initially formed OD-1 was deactivated to ground state OP-3 prior to detection via resonance fluorescence. The relative quantum yields for processes 1 and 2 are 0.89 and 0.11 for the wavelength interval 105 to 145nm and = to or greater than 0.99, and = to or less than 0.01 for the wavelength interval 145 to 185nm. Rate constants at 300 K for the reactions OD-1 + H2, + Ar, and + He are presented.

New physics in resonant production of Higgs boson pairs.

PubMed

Barger, Vernon; Everett, Lisa L; Jackson, C B; Peterson, Andrea D; Shaughnessy, Gabe

2015-01-09

We advocate a search for an extended scalar sector at the LHC via hh production, where h is the 125 GeV Higgs boson. A resonance feature in the hh invariant mass is a smoking gun of an s-channel heavy Higgs resonance, H. With one h decaying to two photons and the other decaying to b quarks, the resonant signal may be discoverable above the hh continuum background for M(H)<1  TeV. The product of the scalar and top Yukawa couplings can be measured to better than 10%-20% accuracy, and its sign can be inferred from the hh line shape via interference effects.

Probing cis-trans isomerization in the S{sub 1} state of C{sub 2}H{sub 2} via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

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

Changala, P. Bryan; Baraban, Joshua H.; Field, Robert W., E-mail: rwfield@mit.edu

2015-08-28

We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S{sub 1} state of acetylene, C{sub 2}H{sub 2}, in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ∼500 cm{sup −1} below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C{sub 2}H + H sets in roughly 1100 cm{sup −1} below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunnelingmore » through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K′ − ℓ{sup ′′} = ± 1, such data must be obtained via excited vibrational levels of the ground state with ℓ{sup ′′} > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ{sup ′′} = 2 states can be selectively populated in a jet, giving access to K′ = 3 states in IR-UV double resonance.« less

Resonant transfer excitation in collisions of F sup 6+ and Mg sup 9+ with H sub 2

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

Bernstein, E.M.; Kamal, A.; Zaharakis, K.E.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F{sup 6+}+H{sub 2} and Mg{sup 9+}+H{sub 2} collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for {ital K}-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F{sup 6+} the present calculations are about 10% lower than previous results of Bhalla and Karim (Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990)); the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz {ital et} {ital al}. (Phys. Rev. A 38, 5454 (1988)). The previous disagreementmore » between experiment and theory for F{sup 6+} is removed.« less

In vivo 1H-magnetic resonance spectroscopy study of the attentional networks in autism

PubMed Central

Bernardi, Silvia; Anagnostou, Evdokia; Shen, Jun; Kolevzon, Alexander; Buxbaum, Joseph D.; Hollander, Eric; Hof, Patrick R.; Fan, Jin

2010-01-01

Attentional dysfunction is one of the most consistent findings in individuals with autism spectrum disorders (ASD). However, the significance of such findings for the pathophysiology of autism is unclear. In this study, we investigated cellular neurochemistry with proton magnetic resonance spectroscopy imaging (1H-MRS) in brain regions associated with networks subserving alerting, orienting, and executive control of attention in patients with ASD. Concentrations of cerebral N-acetyl-aspartate (NAA), creatinine + phosphocreatinine, choline-containing compounds, myo-inositol (Ins) and glutamate + glutamine (Glx) were determined by 3 T 1H-MRS examinations in 14 high-functioning medication-free adults with a diagnosis of ASD and 14 age- and IQ-matched healthy controls (HC) in the anterior cingulate cortex (ACC), thalamus, temporoparietal junction (TPJ), and areas near or along the intraparietal sulcus (IPS). Compared to HC group, the ASD group showed significantly lower Glx concentrations in right ACC and reduced Ins in left TPJ. This study provides evidence of abnormalities in neurotransmission related to networks subserving executive control and alerting of attention, functions which have been previously implicated in ASD pathogenesis. PMID:21185269

Application of diffusion ordered-1H-nuclear magnetic resonance spectroscopy to quantify sucrose in beverages.

PubMed

Cao, Ruge; Nonaka, Airi; Komura, Fusae; Matsui, Toshiro

2015-03-15

This work focuses on a quantitative analysis of sucrose using diffusion ordered-quantitative (1)H-nuclear magnetic resonance spectroscopy (DOSY-qNMR), where an analyte can be isolated from interference based on its characteristic diffusion coefficient (D) in gradient magnetic fields. The D value of sucrose in deuterium oxide at 30°C was 4.9 × 10(-10)m(2)/s at field gradient pulse from 5.0 × 10(-2) to 3.0 × 10(-1)T/m, separated from other carbohydrates (glucose and fructose). Good linearity (r(2)=0.9999) was obtained between sucrose (0.5-20.0 g/L) and the resonance area of target glucopyranosyl-α-C1 proton normalised to that of cellobiose C1 proton (100.0 g/L, as an internal standard) in 1D sliced DOSY spectrum. The DOSY-qNMR method was successfully applied to quantify sucrose in orange juice (36.1 ± 0.5 g/L), pineapple juice (53.5 ± 1.1g/L) and a sports drink (24.7 ± 0.6g/L), in good agreement with the results obtained by an F-kit method. Copyright © 2014 Elsevier Ltd. All rights reserved.

Structure of thin diamond films: A 1H and 13C nuclear-magnetic-resonance study

NASA Astrophysics Data System (ADS)

Pruski, M.; Lang, D. P.; Hwang, Son-Jong; Jia, H.; Shinar, J.

1994-04-01

The 1H and 13C nuclear magnetic resonance (NMR) of thin diamond films deposited from naturally abundant (1.1 at. %) as well as 50% and 100% 13enriched CH4 heavily diluted in H2 is described and discussed. Less than 0.6 at. % of hydrogen is found in the films which contain crystallites up to ~15 μm across. The 1H NMR consists of a broad 50-65-kHz-wide Gaussian line attributed to H atoms bonded to carbon and covering the crystallite surfaces. A narrow Lorentzian line was only occasionally observed and is found not to be intrinsic to the diamond structure. The 13C NMR demonstrates that >99.5% of the C atoms reside in a quaternary diamondlike configuration. 1-13C cross-polarization measurement indicates that, at the very least, the majority of 13C nuclei cross polarized by 1H, i.e., within three bond distances from a 1H at a crystallite surface, reside in sp3 diamondlike coordinated sites. The 13C relaxation rates of the films are four orders of magnitude faster than that of natural diamond and believed to be due to 13C spin diffusion to paramagnetic centers, presumably carbon dangling bonds. Analysis of the measured relaxation rates indicates that within the 13C spin-diffusion length of √DTc1 ~0.05 μm, these centers are uniformly distributed in the diamond crystallites. The possibility that the dangling bonds are located at internal nanovoid surfaces is discussed.

Dynamical resonances in the fluorine atom reaction with the hydrogen molecule.

PubMed

Yang, Xueming; Zhang, Dong H

2008-08-01

[Reaction: see text]. The concept of transition state has played a crucial role in the field of chemical kinetics and reaction dynamics. Resonances in the transition state region are important in many chemical reactions at reaction energies near the thresholds. Detecting and characterizing isolated reaction resonances, however, have been a major challenge in both experiment and theory. In this Account, we review the most recent developments in the study of reaction resonances in the benchmark F + H 2 --> HF + H reaction. Crossed molecular beam scattering experiments on the F + H 2 reaction have been carried out recently using the high-resolution, highly sensitive H-atom Rydberg tagging technique with HF rovibrational states almost fully resolved. Pronounced forward scattering for the HF (nu' = 2) product has been observed at the collision energy of 0.52 kcal/mol in the F + H 2 (j = 0) reaction. Quantum dynamical calculations based on two new potential energy surfaces, the Xu-Xie-Zhang (XXZ) surface and the Fu-Xu-Zhang (FXZ) surface, show that the observed forward scattering of HF (nu' = 2) in the F + H 2 reaction is caused by two Feshbach resonances (the ground resonance and first excited resonance). More interestingly, the pronounced forward scattering of HF (nu' = 2) at 0.52 kcal/mol is enhanced considerably by the constructive interference between the two resonances. In order to probe the resonance potential more accurately, the isotope substituted F + HD --> HF + D reaction has been studied using the D-atom Rydberg tagging technique. A remarkable and fast changing dynamical picture has been mapped out in the collision energy range of 0.3-1.2 kcal/mol for this reaction. Quantum dynamical calculations based on the XXZ surface suggest that the ground resonance on this potential is too high in comparison with the experimental results of the F + HD reaction. However, quantum scattering calculations on the FXZ surface can reproduce nearly quantitatively the resonance

Fingerprinting analysis of Saposhnikovia divaricata using 1H nuclear magnetic resonance spectroscopy and high performance liquid chromatography.

PubMed

Xin, Yue-Yang; Deng, An-Jun; Du, Guan-Hua; Zhang, Jin-Lan; Qin, Hai-Lin

2010-09-01

The (1)H nuclear magnetic resonance ((1)H NMR) fingerprints of fractionated non-polar and polar extracts (control substance for plant drug [CSPD] A and B) from the roots of 12 specimens of Saposhnikovia divaricata (Turcz.) Schischk were achieved with Fourier Transform (FT)-NMR spectrometer and assigned by comparison to each other and to the (1)H NMR spectra of the isolated individual compounds. These fingerprints were found to be uniform in terms of the specificity for the implication of all 12 specimens being systematically of the same origin. The uniformity was further affirmed by high performance liquid chromatography (HPLC), which also revealed exactly identical specificity for the identified S. divaricata species with the (1)H NMR appearances of corresponding CSPD on the part of the composition of characteristic constituents when comparing to corresponding individual compounds. This investigation unambiguously shows that the specific signals from the chemotaxonomically significant compounds of chromones and coumarins in S. divaricata are exhibited distinctively in the composite features of both (1)H NMR fingerprints and HPLC profiles. The (1)H NMR and HPLC profiles established can successfully be used as reference for the authentication of the origin of S. divaricata species as well as for chemotaxonomic studies.

Infrared and far-infrared laser magnetic resonance spectroscopy of the GeH radical - Determination of ground state parameters

NASA Technical Reports Server (NTRS)

Brown, J. M.; Evenson, K. M.; Sears, T. J.

1985-01-01

The GeH radical has been detected in its ground 2 Pi state in the gas phase reaction of fluorine atoms with GeH4 by laser magnetic resonance techniques. Rotational transitions within both 2 Pi 1/2 and 2 Pi 3/2 manifolds have been observed at far-infrared wavelengths and rotational transitions between the two fine structure components have been detected at infrared wavelengths (10 microns). Signals have been observed for all five naturally occurring isotopes of germanium. Nuclear hyperfine structure for H-1 and Ge-73 has also been observed. The data for the dominant isotope (/Ge-74/H) have been fitted to within experimental error by an effective Hamiltonian to give a set of molecular parameters for the X 2 Pi state which is very nearly complete. In addition, the dipole moment of GeH in its ground state has been estimated from the relative intensities of electric and magnetic dipole transitions in the 10 micron spectrum to be 1.24(+ or - 0.10) D.

Multiple-step relayed correlation spectroscopy: sequential resonance assignments in oligosaccharides.

PubMed Central

Homans, S W; Dwek, R A; Fernandes, D L; Rademacher, T W

1984-01-01

A general property of the high-resolution proton NMR spectra of oligosaccharides is the appearance of low-field well-resolved resonances corresponding to the anomeric (H1) and H2 protons. The remaining skeletal protons resonate in the region 3-4 ppm, giving rise to an envelope of poorly resolved resonances. Assignments can be made from the H1 and H2 protons to their J-coupled neighbors (H2 and H3) within this main envelope by using 1H-1H correlated spectroscopy. However, the tight coupling (J congruent to delta) between further protons results in poor spectral dispersion with consequent assignment ambiguities. We describe here three-step two-dimensional relayed correlation spectroscopy and show how it can be used to correlate the resolved anomeric (H1) and H2 protons with remote (H4, H5) protons directly through a linear network of couplings using sequential magnetization transfer around the oligosaccharide rings. Resonance assignments are then obtained by inspection of cross-peaks that appear in well-resolved regions of the two-dimensional spectrum. This offers a general solution to the assignment problem in oligosaccharides and, importantly, these assignments will subsequently allow for the three-dimensional solution conformation to be determined by using one-dimensional and two-dimensional nuclear Overhauser experiments. PMID:6593701

The Human Domain and the Future of Army Warfare: Present as Prelude to 2050

DTIC Science & Technology

2017-07-01

ERDC/CERL MP-17-2 ii Abstract Studies on the future of warfare tend to focus on technology and place but largely overlook the actors. Warfare in 2050...will be predominantly urban, utilizing robotics and other advanced technologies , but at the core will re- main an inherently human and political...collaboration for success. Despite the ap- peal of advanced technology , the U.S. Army could greatly benefit by looking beyond strictly technological

Far-infrared, submillimeter, and millimeter spectroscopy of the Galactic center - Radio ARC and +20/+50 kilometer per second clouds

NASA Technical Reports Server (NTRS)

Genzel, R.; Harris, A. I.; Geis, N.; Stacey, G. J.; Townes, C. H.

1990-01-01

Results are presented from FIR, sub-mm, and mm spectroscopic observations of the radio arc and the +20/+50 km/s molecular clouds in the Galactic center. The results for the radio arc are analyzed, including the spatial distribution of C II forbidden line emission, the spatial distribution of CO emission, the luminosity and mass of C(+) regions, and the CO 7 - 6 emission and line profiles. Model calculations are used to study molecular gas in the radio arc. In addition, forbidden C II, CO 7 - 6, and C(O-18) mapping is presented for the +20/+50 km/x clouds. Consideration is given to the impact of the results on the interpretation of the physical conditions, excitation, and heating of the gas clouds in the arc and near the center.

KLIMA 2050: a research-based innovation centre for risk reduction through climate adaptation of infrastructure and buildings

NASA Astrophysics Data System (ADS)

Solheim, Anders; Time, Berit; Kvande, Tore; Sivertsen, Edvard; Cepeda, Jose; Lappegard Hauge, Åshild; Bygballe, Lena; Almås, Anders-Johan

2016-04-01

Klima 2050 - Risk reduction through climate adaptation of buildings and infrastructure is a Centre for Research based Innovation (SFI), funded jointly by the Research Council of Norway (RCN) and the partners of the centre. The aim of Klima 2050 is to reduce the societal risks associated with climate changes, including enhanced precipitation and flood water exposure within the built environment. The Centre will strengthen companies' innovation capacity through a focus on long-term research. It is also a clear objective to facilitate close cooperation between Research & Development, performing companies, public entities, and prominent research groups. Emphasis will be placed on development of moisture-resilient buildings, storm-water management, blue-green solutions, mitigation measures for water-triggered landslides, socio-economic incentives and decision-making processes. Both extreme weather and gradual climatic changes will be addressed. The Centre consists of a consortium of 18 partners from three sectors: industry, public entities and research/education organizations. The partners from the industry/private sector include a variety of companies from the building industry. The public entities comprise the most important infrastructure owners in Norway (public roads, railroads, buildings, airports), as well as the directorate for water and energy. The research and education partners are SINTEF Building and Infrastructure, the Norwegian Business School, the Norwegian University of Science and Technology, the Norwegian Meteorological Institute, and the Norwegian Geotechnical Institute. This contribution presents the main research plans and activities of this Centre, which was started in 2015 and will run for 8 years, until 2023. The presentation also includes options for international cooperation in the Centre via PhD and postdoctoral positions, MSc projects and guest-researcher stays with Klima 2050 partners.

Projected 2050 Model Simulations for the Chesapeake Bay ...

EPA Pesticide Factsheets

The Chesapeake Bay Program as has been tasked with assessing how changes in climate systems are expected to alter key variables and processes within the Watershed in concurrence with land use changes. EPA’s Office of Research and Development will be conducting historic and future, 2050, Weather Research and Forecast (WRF) metrological and Community Multiscale Air Quality (CMAQ) chemical transport model simulations to provide meteorological and nutrient deposition estimates for inclusion of the Chesapeake Bay Program’s assessment of how climate and land use change may impact water quality and ecosystem health. This presentation will present the timeline and research updates. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, decision-support tools, and models to be applied to media-specific or receptor-specific problem areas. CED uses modeling-based approaches to characterize exposures, evaluate fate and transport, and support environmental diagnostics/forensics with input from multiple data sources. It also develops media- and receptor-specific models, process models, and decision support tools for use both within and outside of EPA.

Design and fabrication of fluorescence resonance energy transfer-mediated fluorescent polymer nanoparticles for ratiometric sensing of lysosomal pH.

PubMed

Chen, Jian; Tang, Ying; Wang, Hong; Zhang, Peisheng; Li, Ya; Jiang, Jianhui

2016-12-15

The design of effective tools capable of sensing lysosome pH is highly desirable for better understanding its biological functions in cellular behaviors and various diseases. Herein, a lysosome-targetable ratiometric fluorescent polymer nanoparticle pH sensor (RFPNS) was synthesized via incorporation of miniemulsion polymerization and surface modification technique. In this system, the donor: 4-ethoxy-9-allyl-1,8-naphthalimide (EANI) and the acceptor: fluorescein isothiocyanate (FITC) were covalently linked to the polymer nanoparticle to construct pH-responsive fluorescence resonance energy transfer (FRET) system. The FITC moieties on the surface of RFPNS underwent structural and spectral transformation as the presence of pH changes, resulting in ratiometric fluorescent sensing of pH. The as-prepared RFPNS displayed favorable water dispersibility, good pH-induced spectral reversibility and so on. Following the living cell uptake, the as-prepared RFPNS with good cell-membrane permeability can mainly stain in the lysosomes; and it can facilitate visualization of the intracellular lysosomal pH changes. This nanosensor platform offers a novel method for future development of ratiometric fluorescent probes for targeting other analytes, like ions, metabolites,and other biomolecules in biosamples. Copyright © 2016 Elsevier Inc. All rights reserved.

Global carbon benefits of material substitution in passenger cars until 2050 and the impact on the steel and aluminum industries.

PubMed

Modaresi, Roja; Pauliuk, Stefan; Løvik, Amund N; Müller, Daniel B

2014-09-16

Light-weighting of passenger cars using high-strength steel or aluminum is a common emissions mitigation strategy. We provide a first estimate of the global impact of light-weighting by material substitution on GHG emissions from passenger cars and the steel and aluminum industries until 2050. We develop a dynamic stock model of the global car fleet and combine it with a dynamic MFA of the associated steel, aluminum, and energy supply industries. We propose four scenarios for substitution of conventional steel with high-strength steel and aluminum at different rates over the period 2010-2050. We show that light-weighting of passenger cars can become a "gigaton solution": Between 2010 and 2050, persistent light-weighting of passenger cars can, under optimal conditions, lead to cumulative GHG emissions savings of 9-18 gigatons CO2-eq compared to development business-as-usual. Annual savings can be up to 1 gigaton per year. After 2030, enhanced material recycling can lead to further reductions: closed-loop metal recycling in the automotive sector may reduce cumulative emissions by another 4-6 gigatons CO2-eq. The effectiveness of emissions mitigation by material substitution significantly depends on how the recycling system evolves. At present, policies focusing on tailpipe emissions and life cycle assessments of individual cars do not consider this important effect.

Land use and carbon dynamics in the southeastern United States from 1992 to 2050

USGS Publications Warehouse

Zhao, Shuqing; Liu, Shuguang; Sohl, Terry L.; Young, Claudia; Werner, Jeremy M.

2013-01-01

Land use and land cover change (LUCC) plays an important role in determining the spatial distribution, magnitude, and temporal change of terrestrial carbon sources and sinks. However, the impacts of LUCC are not well understood and quantified over large areas. The goal of this study was to quantify the spatial and temporal patterns of carbon dynamics in various terrestrial ecosystems in the southeastern United States from 1992 to 2050 using a process-based modeling system and then to investigate the impacts of LUCC. Spatial LUCC information was reconstructed and projected using the FOREcasting SCEnarios of future land cover (FORE-SCE) model according to information derived from Landsat observations and other sources. Results indicated that urban expansion (from 3.7% in 1992 to 9.2% in 2050) was expected to be the primary driver for other land cover changes in the region, leading to various declines in forest, cropland, and hay/pasture. The region was projected to be a carbon sink of 60.4 gC m−2 yr−1 on average during the study period, primarily due to the legacy impacts of large-scale conversion of cropland to forest that happened since the 1950s. Nevertheless, the regional carbon sequestration rate was expected to decline because of the slowing down of carbon accumulation in aging forests and the decline of forest area.

Off-resonance NOVEL

NASA Astrophysics Data System (ADS)

Jain, Sheetal K.; Mathies, Guinevere; Griffin, Robert G.

2017-10-01

Dynamic nuclear polarization (DNP) is theoretically able to enhance the signal in nuclear magnetic resonance (NMR) experiments by a factor γe/γn, where γ 's are the gyromagnetic ratios of an electron and a nuclear spin. However, DNP enhancements currently achieved in high-field, high-resolution biomolecular magic-angle spinning NMR are well below this limit because the continuous-wave DNP mechanisms employed in these experiments scale as ω0-n where n ˜ 1-2. In pulsed DNP methods, such as nuclear orientation via electron spin-locking (NOVEL), the DNP efficiency is independent of the strength of the main magnetic field. Hence, these methods represent a viable alternative approach for enhancing nuclear signals. At 0.35 T, the NOVEL scheme was demonstrated to be efficient in samples doped with stable radicals, generating 1H NMR enhancements of ˜430. However, an impediment in the implementation of NOVEL at high fields is the requirement of sufficient microwave power to fulfill the on-resonance matching condition, ω0I = ω1S, where ω0I and ω1S are the nuclear Larmor and electron Rabi frequencies, respectively. Here, we exploit a generalized matching condition, which states that the effective Rabi frequency, ω1S e f f, matches ω0I. By using this generalized off-resonance matching condition, we generate 1H NMR signal enhancement factors of 266 (˜70% of the on-resonance NOVEL enhancement) with ω1S/2π = 5 MHz. We investigate experimentally the conditions for optimal transfer of polarization from electrons to 1H both for the NOVEL mechanism and the solid-effect mechanism and provide a unified theoretical description for these two historically distinct forms of DNP.

Contour mode resonators with acoustic reflectors

DOEpatents

Olsson, Roy H [Albuquerque, NM; Fleming, James G [Albuquerque, NM; Tuck, Melanie R [Albuquerque, NM

2008-06-10

A microelectromechanical (MEM) resonator is disclosed which has a linear or ring-shaped acoustic resonator suspended above a substrate by an acoustic reflector. The acoustic resonator can be formed with a piezoelectric material (e.g. aluminum nitride, zinc oxide or PZT), or using an electrostatically-actuated material. The acoustic reflector (also termed an acoustic mirror) uses alternating sections of a relatively low acoustic impedance Z.sub.L material and a relatively high acoustic impedance Z.sub.H material to isolate the acoustic resonator from the substrate. The MEM resonator, which can be formed on a silicon substrate with conventional CMOS circuitry, has applications for forming oscillators, rf filters, and acoustic sensors.

Gd-labeled glycol chitosan as a pH-responsive magnetic resonance imaging agent for detecting acidic tumor microenvironments.

PubMed

Nwe, Kido; Huang, Ching-Hui; Tsourkas, Andrew

2013-10-24

Neoplastic lesions can create a hostile tumor microenvironment with low extracellular pH. It is commonly believed that these conditions can contribute to tumor progression as well as resistance to therapy. We report the development and characterization of a pH-responsive magnetic resonance imaging contrast agent for imaging the acidic tumor microenvironment. The preparation included the conjugation of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid 1-(2,5-dioxo-1-pyrrolidinyl) ester (DOTA-NHS) to the surface of a water-soluble glycol chitosan (GC) polymer, which contains pH-titrable primary amines, followed by gadolinium complexation (GC-NH2-GdDOTA). GC-NH2-GdDOTA had a chelate-to-polymer ratio of approximately1:24 and a molar relaxivity of 9.1 mM(-1) s(-1). GC-NH2-GdDOTA demonstrated pH-dependent cellular association in vitro compared to the control. It also generated a 2.4-fold enhancement in signal in tumor-bearing mice 2 h postinjection. These findings suggest that glycol chitosan coupled with contrast agents can provide important diagnostic information about the tumor microenvironment.

Surface plasmon resonance measurement of pH-induced responses of immobilized biomolecules: conformational change or electrostatic interaction effects?

PubMed

Paynter, Sally; Russell, David A

2002-10-01

Recently, the observation of pH-induced conformational changes of biomolecules supported on carboxymethyldextran (CMD)-coated surfaces measured using surface plasmon resonance (SPR) has been reported. However, it is apparent that the evidence reported in the literature is ambiguous. The research presented in this paper describes investigations to study the changing SPR signal of immobilized biomolecules as a function of varying pH, to provide a detailed understanding of the origin of the pH-induced changes in the SPR profile. SPR measurements were performed with cytochrome c, concanavalin A, and poly-L-lysine, biomolecules that exhibit diverse conformational responses to changing pH, covalently immobilized onto CMD-coated supports. These SPR measurements were supported by circular dichroism (CD) solution studies. The SPR profiles recorded were not consistent with the conformational transitions of the biomolecules as observed using CD. An alternative explanation for the observed shifts in SPR is proposed, which explains the SPR profiles in terms of electrostatic interaction effects between the immobilized biomolecules and the carboxymethyldextran matrix.

1H, 13C, and 15N resonance assignments for the protein coded by gene locus BB0938 of Bordetella bronchiseptica

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

Rossi, Paolo; Ramelot, Theresa A.; Xiao, Rong

2005-11-01

The product of gene locus BB0938 from Bordetella bronchiseptica (Swiss-Prot ID: Q7WNU7-BORBR; NESG target ID: BoR11; Wunderlich et al., 2004; Pfam ID: PF03476) is a 128-residue protein of unknown function. This broadly conserved protein family is found in eubacteria and eukaryotes. Using triple resonance NMR techniques, we have determined 98% of backbone and 94% of side chain 1H, 13C, and 15N resonance assignments. The chemical shift and 3J(HN?Ha) scalar coupling data reveal a b topology with a seven-residue helical insert, ??????????. BMRB deposit with accession number 6693. Reference: Wunderlich et al. (2004) Proteins, 56, 181?187.

The increasing impact of food production on nutrient export by rivers to the Bay of Bengal 1970-2050.

PubMed

Sattar, Abdus; Kroeze, Carolien; Strokal, Maryna

2014-03-15

The objective of this study is to assess the impact of food production on river export of nutrients to the coastal waters of the Bay of Bengal in the past (1970 and 2000) and the future (2030 and 2050), and the associated potential for coastal eutrophication. We model nutrient export from land to sea, using the Global NEWS (Nutrient Export from WaterSheds) approach. We calculate increases in river export of N and P over time. Agricultural sources account for about 70-80% of the N and P in rivers. The coastal eutrophication potential is high in the Bay. In 2000, nutrient discharge from about 85% of the basin area of the Bay drains into coastal seas contributes to the risk of coastal eutrophication. By 2050, this may be 96%. We also present an alternative scenario in which N and P inputs to the Bay are 20-35% lower than in the baseline. Copyright © 2014 Elsevier Ltd. All rights reserved.

Emission Projections for Long-Haul Freight Trucks and Rail in the United States through 2050.

PubMed

Liu, Liang; Hwang, Taesung; Lee, Sungwon; Ouyang, Yanfeng; Lee, Bumsoo; Smith, Steven J; Yan, Fang; Daenzer, Kathryn; Bond, Tami C

2015-10-06

This work develops an integrated model approach for estimating emissions from long-haul freight truck and rail transport in the United States between 2010 and 2050. We connect models of macroeconomic activity, freight demand by commodity, transportation networks, and emission technology to represent different pathways of future freight emissions. Emissions of particulate matter (PM), carbon monoxide (CO), nitrogen oxides (NOx), and total hydrocarbon (THC) decrease by 60%-70% from 2010 to 2030, as older vehicles built to less-stringent emission standards retire. Climate policy, in the form of carbon tax that increases apparent fuel prices, causes a shift from truck to rail, resulting in a 30% reduction in fuel consumption and a 10%-28% reduction in pollutant emissions by 2050, if rail capacity is sufficient. Eliminating high-emitting conditions in the truck fleet affects air pollutants by 20% to 65%; although these estimates are highly uncertain, they indicate the importance of durability in vehicle engines and emission control systems. Future infrastructure investment will be required both to meet transport demand and to enable actions that reduce emissions of air and climate pollutants. By driving the integrated model framework with two macroeconomic scenarios, we show that the effect of carbon tax on air pollution is robust regardless of growth levels.

A Bottom-up Energy Efficiency Improvement Roadmap for China’s Iron and Steel Industry up to 2050

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

Zhang, Qi; Hasanbeigi, Ali; Price, Lynn

Iron and steel manufacturing is energy intensive in China and in the world. China is the world largest steel producer accounting for around half of the world steel production. In this study, we use a bottom-up energy consumption model to analyze four steel-production and energy-efficiency scenarios and evaluate the potential for energy savings from energy-efficient technologies in China’s iron and steel industry between 2010 and 2050. The results show that China’s steel production will rise and peak in the year 2020 at 860 million tons (Mt) per year for the base-case scenario and 680 Mt for the advanced energy-efficiency scenario.more » From 2020 on, production will gradually decrease to about 510 Mt and 400 Mt in 2050, for the base-case and advanced scenarios, respectively. Energy intensity will decrease from 21.2 gigajoules per ton (G/t) in 2010 to 12.2 GJ/t and 9.9 GJ/t in 2050 for the base-case and advanced scenarios, respectively. In the near term, decreases in iron and steel industry energy intensity will come from adoption of energy-efficient technologies. In the long term, a shift in the production structure of China’s iron and steel industry, reducing the share of blast furnace/basic oxygen furnace production and increasing the share of electric-arc furnace production while reducing the use of pig iron as a feedstock to electric-arc furnaces will continue to reduce the sector’s energy consumption. We discuss barriers to achieving these energy-efficiency gains and make policy recommendations to support improved energy efficiency and a shift in the nature of iron and steel production in China.« less

Theoretical resolution of the H- resonance spectrum up to the n=4 threshold. I. States of 1Po, 1Do, and 1Fo symmetries

NASA Astrophysics Data System (ADS)

Bylicki, Mirosław; Nicolaides, Cleanthes A.

2000-05-01

We report on a theoretical approach to the calculation of wave functions, energies E, and widths Γ of high-lying resonances of H-, with application to the identification of 76 states of 1Po, 1Do, and 1Fo symmetries up to the n=4 threshold, with widths down to about 1×10-8-1×10-10 a.u., depending on symmetry and threshold. The overwhelming majority of these resonances have not been detected experimentally. Previous calculations by different methods allowed the identification of 35 of these states, with only very few cases having a level of accuracy comparable to the one of the present work. We suggest that the measurement of these resonances might become possible via two-step excitation mechanisms using ultrasensitive techniques capable of dealing with the problems of very small widths and preparation cross-sections. In this work, the 1D state at 10.872 eV above the H-1s2 1S ground state, already prepared and measured by electron scattering as well as by two-photon absorption, is considered as the stepping stone for the possible probing of resonances of 1Po, 1Do, and 1Fo symmetries via absorption of tunable radiation of high resolution. By classifying the results according to the Gailitis-Damburg model of dipole resonances (a product of a 1/r2-like potential) we find that there are unperturbed as well as perturbed series, in analogy with the Rydberg spectra of neutrals and positive ions (a product of a 1/r-like potential). For the former, the agreement with the Gailitis-Damburg predictions as to the relationship of the extent of the outer orbital and of the energies and widths of states is excellent. The perturbed series result from interchannel coupling and the remaining electron correlation. One of the effects is the existence of overlapping resonances. For example, for two 1Po states below the n=3 threshold there is degeneracy on the energy axis (E1=-0.0555763612 a.u. and E2=-0.0555763099 a.u.) but the widths differ (Γ1=1.14×10-4 eV and Γ2=5.45×10-6 e

Global Burden of Sickle Cell Anaemia in Children under Five, 2010–2050: Modelling Based on Demographics, Excess Mortality, and Interventions

PubMed Central

Piel, Frédéric B.; Hay, Simon I.; Gupta, Sunetra; Weatherall, David J.; Williams, Thomas N.

2013-01-01

Background The global burden of sickle cell anaemia (SCA) is set to rise as a consequence of improved survival in high-prevalence low- and middle-income countries and population migration to higher-income countries. The host of quantitative evidence documenting these changes has not been assembled at the global level. The purpose of this study is to estimate trends in the future number of newborns with SCA and the number of lives that could be saved in under-five children with SCA by the implementation of different levels of health interventions. Methods and Findings First, we calculated projected numbers of newborns with SCA for each 5-y interval between 2010 and 2050 by combining estimates of national SCA frequencies with projected demographic data. We then accounted for under-five mortality (U5m) projections and tested different levels of excess mortality for children with SCA, reflecting the benefits of implementing specific health interventions for under-five patients in 2015, to assess the number of lives that could be saved with appropriate health care services. The estimated number of newborns with SCA globally will increase from 305,800 (confidence interval [CI]: 238,400–398,800) in 2010 to 404,200 (CI: 242,500–657,600) in 2050. It is likely that Nigeria (2010: 91,000 newborns with SCA [CI: 77,900–106,100]; 2050: 140,800 [CI: 95,500–200,600]) and the Democratic Republic of the Congo (2010: 39,700 [CI: 32,600–48,800]; 2050: 44,700 [CI: 27,100–70,500]) will remain the countries most in need of policies for the prevention and management of SCA. We predict a decrease in the annual number of newborns with SCA in India (2010: 44,400 [CI: 33,700–59,100]; 2050: 33,900 [CI: 15,900–64,700]). The implementation of basic health interventions (e.g., prenatal diagnosis, penicillin prophylaxis, and vaccination) for SCA in 2015, leading to significant reductions in excess mortality among under-five children with SCA, could, by 2050, prolong the lives of 5

Hip fracture incidence 2003-2013 and projected cases until 2050 in Austria: a population-based study.

PubMed

Concin, Hans; Brozek, Wolfgang; Benedetto, Karl-Peter; Häfele, Hartmut; Kopf, Joachim; Bärenzung, Thomas; Schnetzer, Richard; Schenk, Christian; Stimpfl, Elmar; Waheed-Hutter, Ursula; Ulmer, Hanno; Rapp, Kilian; Zwettler, Elisabeth; Nagel, Gabriele

2016-12-01

Elevated hip fracture incidence is a major public health problem looming to aggravate in industrialized countries due to demographic developments. We report hip fracture incidence and expected future cases from Vorarlberg, the westernmost province of Austria, results potentially representative of Central European populations. Crude and standardized hip fracture incidence rates in Vorarlberg 2003-2013 are reported. Based on the age-specific incidence in 2013 or trends 2003-2013, we predict hip fractures till 2050. Female age-standardized hip fracture incidence decreased 2005-2013, whereas for men, the trend was rather unclear. Uncorrected forecasts indicate that by 2050, female and male cases will each have more than doubled from 2015 in all demographic core scenarios. Corrected by incidence trends before 2013, cases are expected to drop among women but rise among men. We anticipate rising hip fracture numbers in Vorarlberg within the next decades, unless prevention programs that presumably account for decreasing incidence rates, particularly among women since 2005, take further effect to counteract the predicted steady increase due to demographic changes. Concomitantly, augmented endeavors to target the male population by these programs are needed.

Effect of Exercise on the Creatine Resonances in 1H MR Spectra of Human Skeletal Muscle

NASA Astrophysics Data System (ADS)

Kreis, R.; Jung, B.; Slotboom, J.; Felblinger, J.; Boesch, C.

1999-04-01

1H MR spectra of human muscles were recorded before, during, and after fatiguing exercise. In contrast to expectations, it was found that the spectral contributions of creatine/phosphocreatine (Cr/PCr) were subject to change as a function of exercise. In particular, the dipolar-coupled methylene protons of Cr/PCr were found to be reduced in intensity in proportion to the co-registered PCr levels. Recovery after exercise and behavior under ischemic conditions provide further evidence to suggest that the contributions of the CH2protons of Cr/PCr to1H MR spectra of human musclein vivoreflect PCr rather than Cr levels. Variation of experimental parameters showed that this effect is not due to a trivial change in relaxation times. At present it can only be speculated about why the Cr resonances have reduced NMR visibility. If temporary binding to macromolecules should be involved, the free Cr concentration-important for equilibrium calculations of the creatine kinase reaction-might be different from what was previously assumed.

Anisotropic 2H-nuclear magnetic resonance spin-lattice relaxation in cerebroside- and phospholipid-cholesterol bilayer membranes.

PubMed

Siminovitch, D J; Ruocco, M J; Olejniczak, E T; Das Gupta, S K; Griffin, R G

1988-09-01

The axially symmetric powder pattern 2H-nuclear magnetic resonance (NMR) lineshapes observed in the liquid crystalline phase of pure lipid or lipid/cholesterol bilayers are essentially invariant to temperature, or, equivalently, to variations in the correlation times characterizing C-2H bond reorientations. In either of these melted phases, where correlation times for C-2H bond motions are shorter than 10(-7) s, information on the molecular dynamics of the saturated hydrocarbon chain would be difficult to obtain using lineshape analyses alone, and one must resort to other methods, such as the measurement of 2H spin-lattice relaxation rates, in order to obtain dynamic information. In pure lipid bilayers, the full power of the spin-lattice relaxation technique has yet to be realized, since an important piece of information, namely the orientation dependence of the 2H spin-lattice relaxation rates is usually lost due to orientational averaging of T1 by rapid lateral diffusion. Under more favorable circumstances, such as those encountered in the lipid/cholesterol mixtures of this study, the effects of orientational averaging by lateral diffusion are nullified, due to either a marked reduction (by at least an order of magnitude) in the diffusion rate, or a marked increase in the radii of curvature of the liposomes. In either case, the angular dependence of 2H spin-lattice relaxation is accessible to experimental study, and can be used to test models of molecular dynamics in these systems. Simulations of the partially recovered lineshapes indicate that the observed T1 anisotropies are consistent with large amplitude molecular reorientation of the C-2H bond among a finite number of sites. Furthermore, from the observed orientation dependence of the 2H spin-lattice relaxation rates, we conclude that order director fluctuations cannot provide the dominant relaxation pathway for acyl chain deuterons.

Tunneling chemical reactions D+H{sub 2}{yields}DH+H and D+DH{yields}D{sub 2}+H in solid D{sub 2}-H{sub 2} and HD-H{sub 2} mixtures: An electron-spin-resonance study

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

Kumada, Takayuki

2006-03-07

Tunneling chemical reactions D+H{sub 2}{yields}DH+H and D+DH{yields}D{sub 2}+H in solid HD-H{sub 2} and D{sub 2}-H{sub 2} mixtures were studied in the temperature range between 4 and 8 K. These reactions were initiated by UV photolysis of DI molecules doped in these solids for 30 s and followed by measuring the time course of electron-spin-resonance (ESR) intensities of D and H atoms. ESR intensity of D atoms produced by the photolysis decreases but that of H atoms increases with time. Time course of the D and H intensities has the fast and slow processes. The fast process, which finishes within {approx}300more » s after the photolysis, is assigned to the reaction of D atom with one of its nearest-neighboring H{sub 2} molecules, D(H{sub 2}){sub n}(HD){sub 12-n}{yields}H(H{sub 2}){sub n-1}(HD){sub 13-n} or D(H{sub 2}){sub n}(D{sub 2}){sub 12-n}{yields}H(HD)(H{sub 2}){sub n-1}(D{sub 2}){sub 12-n} for 12{>=}n{>=}1. Rate constant for the D+H{sub 2} reaction between neighboring D atom-H{sub 2} molecule pair is determined to be (7.5{+-}0.7)x10{sup -3} s{sup -1} in solid HD-H{sub 2} and (1.3{+-}0.3)x10{sup -2} s{sup -1} in D{sub 2}-H{sub 2} at 4.1 K, which is very close to that calculated based on the theory of chemical reaction in gas phase by Hancock et al. [J. Chem. Phys. 91, 3492 (1989)] and Takayanagi and Sato [J. Chem. Phys. 92, 2862 (1990)]. This rate constant was found to be independent of temperature up to 7 K within experimental error of {+-}30%. The slow process is assigned to the reaction of D atom produced in a cage fully surrounded by HD or D{sub 2} molecules, D(HD){sub 12} or D(D{sub 2}){sub 12}. This D atom undergoes the D+DH reaction with one of its nearest-neighboring HD molecules in solid HD-H{sub 2} or diffuses to the neighbor of H{sub 2} molecules to allow the D+H{sub 2} reaction in solid HD-H{sub 2} and D{sub 2}-H{sub 2}. The former is the main channel in solid HD-H{sub 2} below 6 K where D atoms diffuse very slowly, whereas the latter dominates

Projected effect of 2000-2050 changes in climate and emissions on aerosol levels in China and associated transboundary transport

EPA Science Inventory

We investigate projected 2000–2050 changes in concentrations of aerosols in China and the associated transboundary aerosol transport by using the chemical transport model GEOS-Chem driven by the Goddard Institute for Space Studies (GISS) general circulation model (GCM) 3 at 4° × ...

Modelling benthic macrofauna and seagrass distribution patterns in a North Sea tidal basin in response to 2050 climatic and environmental scenarios

NASA Astrophysics Data System (ADS)

Singer, Anja; Millat, Gerald; Staneva, Joanna; Kröncke, Ingrid

2017-03-01

Small-scale spatial distribution patterns of seven macrofauna species, seagrass beds and mixed mussel/oyster reefs were modelled for the Jade Bay (North Sea, Germany) in response to climatic and environmental scenarios (representing 2050). For the species distribution models four presence-absence modelling methods were merged within the ensemble forecasting platform 'biomod2'. The present spatial distribution (representing 2009) was modelled by statistically related species presences, true species absences and six high-resolution environmental grids. The future spatial distribution was then predicted in response to expected climate change-induced ongoing (1) sea-level rise and (2) water temperature increase. Between 2009 and 2050, the present and future prediction maps revealed a significant range gain for two macrofauna species (Macoma balthica, Tubificoides benedii), whereas the species' range sizes of five macrofauna species remained relatively stable across space and time. The predicted probability of occurrence (PO) of two macrofauna species (Cerastoderma edule, Scoloplos armiger) decreased significantly under the potential future habitat conditions. In addition, a clear seagrass bed extension (Zostera noltii) on the lower intertidal flats (mixed sediments) and a decrease in the PO of mixed Mytilus edulis/Crassostrea gigas reefs was predicted for 2050. Until the mid-21st century, our future climatic and environmental scenario revealed significant changes in the range sizes (gains-losses) and/or the PO (increases-decreases) for seven of the 10 modelled species at the study site.

Material dependence of 2H(d,p)3H cross section at the very low energies

NASA Astrophysics Data System (ADS)

Kılıç, Ali İhsan; Czerski, Konrad; Kuştan-Kılıç, Fadime; Targosz-Sleczka, Natalia; Weissbach, Daniel; Huke, Armin; Ruprecht, Götz

2017-09-01

Calculations of the material dependence of 2H(d,p)3H cross section and neutron-to-proton branching ratio of d+d reactions have been performed including a concept of the 0+ threshold single particle resonance. The resonance has been assumed to explain the enhanced electron screening effect observed in the d+d reaction for different metallic targets. Here, we have included interference effects between the flat and resonance part of the cross section, which allowed us to enlighten observed suppression of the neutron channel in some metals such as Sr and Li. Since the position of the resonance depends on the screening energy that strongly depends on the local electron density. The resonance width, observed for the d+d reactions in the very hygroscopic metals (Sr and Li) and therefore probably contaminated by oxides, should be much larger than for other metals. Thus, the interference term of the cross section depending on the total resonance width provides the material dependences.

Application of high-resolution, two-dimensional 1H and 13C nuclear magnetic resonance techniques to the characterization of lipid oxidation products in autoxidized linoleoyl/linolenoylglycerols.

PubMed

Silwood, C J; Grootveld, M

1999-07-01

Subjection of polyunsaturated fatty acid (PUFA)-rich culinary oils to standard frying episodes generates a range of lipid oxidation products (LOP), including saturated and alpha,beta-unsaturated aldehydes which arise from the thermally induced fragmentation of conjugated hydroperoxydiene precursors. Since such LOP are damaging to human health, we have employed high-resolution, two-dimensional 1H-1H relayed coherence transfer, 1H-1H total correlation, 1H-13C heteronuclear multiple quantum correlation, and 1H-1H J-resolved nuclear magnetic resonance (NMR) spectroscopic techniques to further elucidate the molecular structures of these components present in (i) a model linoleoylglycerol compound (1,3-dilinolein) allowed to autoxidize at ambient temperature and (ii) PUFA-rich culinary oils subjected to repeated frying episodes. The above techniques readily facilitate the resolution of selected vinylic and aldehydic resonances of LOP which appear as complex overlapping patterns in conventional one-dimensional spectra, particularly when employed in combination with solvent-induced spectral shift modifications. Hence, much useful multi-component information regarding the identity and/or classification of glycerol-bound conjugated hydroperoxydiene and hydroxydiene adducts, and saturated and alpha,beta-unsaturated aldehydes, present in autoxidized PUFA matrices is provided by these NMR methods. Such molecular information is of much value to researchers investigating the deleterious health effects of LOP available in the diet.

Proton magnetic resonance spectroscopy of tubercular breast abscess: report of a case.

PubMed

Das, Chandan Jyoti; Medhi, Kunjahari

2008-01-01

In vivo proton magnetic resonance spectroscopy (H-MRS) is a functional imaging modality. When magnetic resonance imaging is coupled with H-MRS, it results in accurate metabolic characterization of various lesions. Proton magnetic resonance spectroscopy has an established role in evaluating malignant breast lesions, and the increasing number of published literature supports the role of H-MRS in patients with breast cancer. However, H-MRS can be of help in evaluating benign breast disease. We present a case of tubercular breast abscess, initial diagnosis of which was suggested based on characteristic lipid pick on H-MRS and was subsequently confirmed by fine needle aspiration biopsy of the breast lesion.

Gate-tunable resonant tunneling in double bilayer graphene heterostructures.

PubMed

Fallahazad, Babak; Lee, Kayoung; Kang, Sangwoo; Xue, Jiamin; Larentis, Stefano; Corbet, Christopher; Kim, Kyounghwan; Movva, Hema C P; Taniguchi, Takashi; Watanabe, Kenji; Register, Leonard F; Banerjee, Sanjay K; Tutuc, Emanuel

2015-01-14

We demonstrate gate-tunable resonant tunneling and negative differential resistance in the interlayer current-voltage characteristics of rotationally aligned double bilayer graphene heterostructures separated by hexagonal boron nitride (hBN) dielectric. An analysis of the heterostructure band alignment using individual layer densities, along with experimentally determined layer chemical potentials indicates that the resonance occurs when the energy bands of the two bilayer graphene are aligned. We discuss the tunneling resistance dependence on the interlayer hBN thickness, as well as the resonance width dependence on mobility and rotational alignment.

Projection of the year 2050 burden of diabetes in the US adult population: dynamic modeling of incidence, mortality, and prediabetes prevalence

PubMed Central

2010-01-01

Background People with diabetes can suffer from diverse complications that seriously erode quality of life. Diabetes, costing the United States more than $174 billion per year in 2007, is expected to take an increasingly large financial toll in subsequent years. Accurate projections of diabetes burden are essential to policymakers planning for future health care needs and costs. Methods Using data on prediabetes and diabetes prevalence in the United States, forecasted incidence, and current US Census projections of mortality and migration, the authors constructed a series of dynamic models employing systems of difference equations to project the future burden of diabetes among US adults. A three-state model partitions the US population into no diabetes, undiagnosed diabetes, and diagnosed diabetes. A four-state model divides the state of "no diabetes" into high-risk (prediabetes) and low-risk (normal glucose) states. A five-state model incorporates an intervention designed to prevent or delay diabetes in adults at high risk. Results The authors project that annual diagnosed diabetes incidence (new cases) will increase from about 8 cases per 1,000 in 2008 to about 15 in 2050. Assuming low incidence and relatively high diabetes mortality, total diabetes prevalence (diagnosed and undiagnosed cases) is projected to increase from 14% in 2010 to 21% of the US adult population by 2050. However, if recent increases in diabetes incidence continue and diabetes mortality is relatively low, prevalence will increase to 33% by 2050. A middle-ground scenario projects a prevalence of 25% to 28% by 2050. Intervention can reduce, but not eliminate, increases in diabetes prevalence. Conclusions These projected increases are largely attributable to the aging of the US population, increasing numbers of members of higher-risk minority groups in the population, and people with diabetes living longer. Effective strategies will need to be undertaken to moderate the impact of these factors

Chemical characterization of a prominent phosphomonoester resonance from mammalian brain. 31P and 1H NMR analysis at 4.7 and 14.1 tesla

NASA Astrophysics Data System (ADS)

Pettegrew, J. W.; Kopp, S. J.; Dadok, J.; Minshew, N. J.; Feliksik, J. M.; Glonek, T.; Cohen, M. M.

A prominent 31P NMR resonance at 3.84 ppm in mammalian brain has been identified as ethanolamine phosphate. The identification was based on 1H and 31P NMR findings (including pH titrations) at 4.7 and 14.1 T, as well as thin-layer chromatography studies. We previously incorrectly assigned the 3.84 ppm resonance to ribose-5-phosphate. The incorrect assignment occurred because the two compounds have very similar 31P chemical shifts, and because we did not carefully consider the effects of counter ions and ionic strengths when interpreting the 31P chemical shifts. In separate preliminary studies we have demonstrated ethanolamine phosphate to be high in immature developing brain and in the degenerating brain of Alzheimer's and Huntington's disease patients. Ethanolamine phosphate may therefore serve as a sensitive marker of membrane phospholipid turnover for both in vitro and in vivo31P NMR studies.

Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study.

PubMed

Vogel, Michael W; Giorni, Andrea; Vegh, Viktor; Pellicer-Guridi, Ruben; Reutens, David C

2016-01-01

We studied the feasibility of generating the variable magnetic fields required for ultra-low field nuclear magnetic resonance relaxometry with dynamically adjustable permanent magnets. Our motivation was to substitute traditional electromagnets by distributed permanent magnets, increasing system portability. The finite element method (COMSOL®) was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces. A manually operated prototype was simulated and constructed to validate the numerical approach and to verify the generated magnetic field. A concentric small permanent magnet array can be used to generate strong sample pre-polarisation and variable measurement fields for ultra-low field relaxometry via simple prescribed magnet rotations. Using the array, it is possible to achieve a pre-polarisation field strength above 100 mT and variable measurement fields ranging from 20-50 μT with 200 ppm absolute field homogeneity within a field-of-view of 5 x 5 x 5 cubic centimetres. A dynamic small permanent magnet array can generate multiple highly homogeneous magnetic fields required in ultra-low field nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) instruments. This design can significantly reduce the volume and energy requirements of traditional systems based on electromagnets, improving portability considerably.

Validated ¹H and 13C Nuclear Magnetic Resonance Methods for the Quantitative Determination of Glycerol in Drug Injections.

PubMed

Lu, Jiaxi; Wang, Pengli; Wang, Qiuying; Wang, Yanan; Jiang, Miaomiao

2018-05-15

In the current study, we employed high-resolution proton and carbon nuclear magnetic resonance spectroscopy (¹H and 13 C NMR) for quantitative analysis of glycerol in drug injections without any complex pre-treatment or derivatization on samples. The established methods were validated with good specificity, linearity, accuracy, precision, stability, and repeatability. Our results revealed that the contents of glycerol were convenient to calculate directly via the integration ratios of peak areas with an internal standard in ¹H NMR spectra, while the integration of peak heights were proper for 13 C NMR in combination with an external calibration of glycerol. The developed methods were both successfully applied in drug injections. Quantitative NMR methods showed an extensive prospect for glycerol determination in various liquid samples.

Multiple Locations of Peptides in the Hydrocarbon Core of Gel-Phase Membranes Revealed by Peptide 13C to Lipid 2H Rotational-Echo Double-Resonance Solid-State Nuclear Magnetic Resonance

PubMed Central

2015-01-01

Membrane locations of peptides and proteins are often critical to their functions. Solid-state rotational-echo double-resonance (REDOR) nuclear magnetic resonance is applied to probe the locations of two peptides via peptide 13CO to lipid 2H distance measurements. The peptides are KALP, an α-helical membrane-spanning peptide, and HFP, the β-sheet N-terminal fusion peptide of the HIV gp41 fusion protein that plays an important role in HIV–host cell membrane fusion. Both peptides are shown to have at least two distinct locations within the hydrocarbon core of gel-phase membranes. The multiple locations are attributed to snorkeling of lysine side chains for KALP and to the distribution of antiparallel β-sheet registries for HFP. The relative population of each location is also quantitated. To the best of our knowledge, this is the first clear experimental support of multiple peptide locations within the membrane hydrocarbon core. These data are for gel-phase membranes, but the approach should work for liquid-ordered membranes containing cholesterol and may be applicable to liquid-disordered membranes with appropriate additional analysis to take into account protein and lipid motion. This paper also describes the methodological development of 13CO–2H REDOR using the lyophilized I4 peptide that is α-helical and 13CO-labeled at A9 and 2Hα-labeled at A8. The I4 spins are well-approximated as an ensemble of isolated 13CO–2H spin pairs each separated by 5.0 Å with a 37 Hz dipolar coupling. A pulse sequence with rectangular 100 kHz 2H π pulses results in rapid and extensive buildup of REDOR (ΔS/S0) with a dephasing time (τ). The buildup is well-fit by a simple exponential function with a rate of 24 Hz and an extent close to 1. These parameter values reflect nonradiative transitions between the 2H spin states during the dephasing period. Each spin pair spends approximately two-thirds of its time in the 13CO–2H (m = ±1) states and approximately one-third of

Electron collisions with the HCOOH···(H2O)n complexes (n = 1, 2) in liquid phase: the influence of microsolvation on the π* resonance of formic acid.

PubMed

Freitas, T C; Coutinho, K; Varella, M T do N; Lima, M A P; Canuto, S; Bettega, M H F

2013-05-07

We report momentum transfer cross sections for elastic collisions of low-energy electrons with the HCOOH···(H2O)n complexes, with n = 1, 2, in liquid phase. The scattering cross sections were computed using the Schwinger multichannel method with pseudopotentials in the static-exchange and static-exchange plus polarization approximations, for energies ranging from 0.5 eV to 6 eV. We considered ten different structures of HCOOH···H2O and six structures of HCOOH···(H2O)2 which were generated using classical Monte Carlo simulations of formic acid in aqueous solution at normal conditions of temperature and pressure. The aim of this work is to investigate the influence of microsolvation on the π* shape resonance of formic acid. Previous theoretical and experimental studies reported a π* shape resonance for HCOOH at around 1.9 eV. This resonance can be either more stable or less stable in comparison to the isolated molecule depending on the complex structure and the water role played in the hydrogen bond interaction. This behavior is explained in terms of (i) the polarization of the formic acid molecule due to the water molecules and (ii) the net charge of the solute. The proton donor or acceptor character of the water molecules in the hydrogen bond is important for understanding the stabilization versus destabilization of the π* resonances in the complexes. Our results indicate that the surrounding water molecules may affect the lifetime of the π* resonance and hence the processes driven by this anion state, such as the dissociative electron attachment.

Visualization of the activation of the histamine H3 receptor (H3R) using novel fluorescence resonance energy transfer biosensors and their potential application to the study of H3R pharmacology.

PubMed

Liu, Ying; Zeng, Hong; Pediani, John D; Ward, Richard J; Chen, Lu-Yao; Wu, Nan; Ma, Li; Tang, Mei; Yang, Yang; An, Su; Guo, Xiao-Xi; Hao, Qian; Xu, Tian-Rui

2018-06-01

Activation of the histamine-3 receptor (H3R) is involved in memory processes and cognitive action, while blocking H3R activation can slow the progression of neurological disorders, such as Alzheimer's disease, schizophrenia and narcolepsy. To date, however, no direct way to examine the activation of H3R has been utilized. Here, we describe a novel biosensor that can visualize the activation of H3R through an intramolecular fluorescence resonance energy transfer (FRET) signal. To achieve this, we constructed an intramolecular H3R FRET sensor with cyan fluorescent protein (CFP) attached at the C terminus and yellow fluorescent protein (YFP) inserted into the third intracellular loop. The sensor was found to internalize normally on agonist treatment. We measured FRET signals between the donor CFP and the acceptor YFP in living cells in real time, the results of which indicated that H3R agonist treatment (imetit or histamine) increases the FRET signal in a time- and concentration-dependent manner with Kon and Koff values consistent with published data and which maybe correlated with decreasing cAMP levels and the promotion of ERK1/2 phosphorylation. The FRET signal was inhibited by H3R antagonists, and the introduction of mutations at F419A, F423A, L426A and L427A, once again, the promotion of ERK1/2 phosphorylation, was diminished. Thus, we have built a H3R biosensor which can visualize the activation of receptor through real-time structure changes and which can obtain pharmacological kinetic data at the same time. The FRET signals may allow the sensor to become a useful tool for screening compounds and optimizing useful ligands. © 2018 Federation of European Biochemical Societies.

Global emissions of fluorinated greenhouse gases until 2050: technical mitigation potentials and costs

NASA Astrophysics Data System (ADS)

Purohit, Pallav; Hoglund-Isaksson, Lena

2016-04-01

The anthropogenic fluorinated (F-gases) greenhouse gas emissions have increased significantly in recent years and are estimated to rise further in response to increased demand for cooling services and the phase out of ozone-depleting substances (ODS) under the Montreal Protocol. F-gases (HFCs, PFCs and SF6) are potent greenhouse gases, with a global warming effect up to 22,800 times greater than carbon dioxide (CO2). This study presents estimates of current and future global emissions of F-gases, their technical mitigation potential and associated costs for the period 2005 to 2050. The analysis uses the GAINS model framework to estimate emissions, mitigation potentials and costs for all major sources of anthropogenic F-gases for 162 countries/regions, which are aggregated to produce global estimates. For each region, 18 emission source sectors with mitigation potentials and costs were identified. Global F-gas emissions are estimated at 0.7 Gt CO2eq in 2005 with an expected increase to about 3.6 Gt CO2eq in 2050. There are extensive opportunities to reduce emissions by over 95 percent primarily through replacement with existing low GWP substances. The initial results indicate that at least half of the mitigation potential is attainable at a cost of less than 20€ per t CO2eq, while almost 90 percent reduction is attainable at less than 100€ per t CO2eq. Currently, several policy proposals have been presented to amend the Montreal Protocol to substantially curb global HFC use. We analyze the technical potentials and costs associated with the HFC mitigation required under the different proposed Montreal Protocol amendments.

Resonant tunneling modulation in quasi-2D Cu2O/SnO2 p-n horizontal-multi-layer heterostructure for room temperature H2S sensor application

PubMed Central

Cui, Guangliang; Zhang, Mingzhe; Zou, Guangtian

2013-01-01

Heterostructure material that acts as resonant tunneling system is a major scientific challenge in applied physics. Herein, we report a resonant tunneling system, quasi-2D Cu2O/SnO2 p-n heterostructure multi-layer film, prepared by electrochemical deposition in a quasi-2D ultra-thin liquid layer. By applying a special half-sine deposition potential across the electrodes, Cu2O and SnO2 selectively and periodically deposited according to their reduction potentials. The as-prepared heterostructure film displays excellent sensitivity to H2S at room temperature due to the resonant tunneling modulation. Furthermore, it is found that the laser illumination could enhance the gas response, and the mechanism with laser illumination is discussed. It is the first report on gas sensing application of resonant tunneling modulation. Hence, heterostructure material act as resonant tunneling system is believed to be an ideal candidate for further improvement of room temperature gas sensing. PMID:23409241

Resonant tunneling modulation in quasi-2D Cu(2)O/SnO(2) p-n horizontal-multi-layer heterostructure for room temperature H(2)S sensor application.

PubMed

Cui, Guangliang; Zhang, Mingzhe; Zou, Guangtian

2013-01-01

Heterostructure material that acts as resonant tunneling system is a major scientific challenge in applied physics. Herein, we report a resonant tunneling system, quasi-2D Cu(2)O/SnO(2) p-n heterostructure multi-layer film, prepared by electrochemical deposition in a quasi-2D ultra-thin liquid layer. By applying a special half-sine deposition potential across the electrodes, Cu(2)O and SnO(2) selectively and periodically deposited according to their reduction potentials. The as-prepared heterostructure film displays excellent sensitivity to H(2)S at room temperature due to the resonant tunneling modulation. Furthermore, it is found that the laser illumination could enhance the gas response, and the mechanism with laser illumination is discussed. It is the first report on gas sensing application of resonant tunneling modulation. Hence, heterostructure material act as resonant tunneling system is believed to be an ideal candidate for further improvement of room temperature gas sensing.

Co-benefits of global, domestic, and sectoral greenhouse gas mitigation for US air quality and human health in 2050

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

Zhang, Yuqiang; Smith, Steven J.; Bowden, Jared H.

Policies to reduce greenhouse gas (GHG) emissions can bring ancillary benefits of improved air quality and reduced premature mortality, in addition to slowing climate change. Here we study the co-benefits of global and domestic GHG mitigation on US air quality and human health in 2050 at fine resolution using dynamical downscaling, and quantify for the first time the co-benefits from foreign GHG mitigation. Relative to a reference scenario, global GHG reductions in RCP4.5 avoid 16000 PM2.5-related all-cause deaths yr-1 (90% confidence interval, 11700-20300), and 8000 (3600-12400) O3-related respiratory deaths yr-1 in the US in 2050. Foreign GHG mitigation avoids 15%more » and 62% of PM2.5- and O3-related total avoided deaths, highlighting the importance of foreign GHG mitigation on US human health benefits. GHG mitigation in the US residential sector brings the largest co-benefits for PM2.5-related deaths (21% of total domestic co-benefits), and industry for O3 (17%). Monetized benefits, for avoided deaths from ozone, PM2.5, and heat stress from a related study, are $148 ($96-201) per ton CO2 at high valuation and $49 ($32-67) at low valuation, of which 36% are from foreign GHG reductions. These benefits likely exceed the marginal cost of GHG reductions in 2050. The US gains significantly greater co-benefits when coordinating GHG reductions with foreign countries. Similarly, previous studies estimating co-benefits locally or regionally may greatly underestimate the full co-benefits of coordinated global actions.« less

Molecular dynamic heterogeneity of confined lipid films by 1H magnetization-exchange nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Buda, A.; Demco, D. E.; Jagadeesh, B.; Blümich, B.

2005-01-01

The molecular dynamic heterogeneity of monolayer to submonolayer thin lecithin films confined to submicron cylindrical pores were investigated by 1H magnetization exchange nuclear magnetic resonance. In this experiment a z-magnetization gradient was generated by a double-quantum dipolar filter. The magnetization-exchange decay and buildup curves were interpreted with the help of a theoretical model based on the approximation of a one-dimensional spin-diffusion process in a three-domain morphology. The dynamic heterogeneity of the fatty acid chains and the effects of the surface area per molecule, the diameter of the pores, and the temperature were characterized with the help of local spin-diffusion coefficients. The effect of various parameters on the molecular dynamics of the mobile region of the fatty acid chains was quantified by introducing an ad hoc Gaussian distribution function of the 1H residual dipolar couplings. For the lipid films investigated in this study, the surface induced order and the geometrical confinement affect the chain dynamics of the entire molecule. Therefore, each part of the chain independently reflects the effect of surface coverage, pore size, and temperature.

Fermi resonance controlled product branching in the H + HOD reaction

DOE PAGES

Zhao, Bin; Manthe, Uwe; Guo, Hua

2018-01-01

Excitation of the first overtone of bending mode results in a significant enhancement in the HD + OH channel due to the 1 : 2 Fermi resonance between the fundamental OD stretch and the first overtone of the bend.

Fermi resonance controlled product branching in the H + HOD reaction

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

Zhao, Bin; Manthe, Uwe; Guo, Hua

Excitation of the first overtone of bending mode results in a significant enhancement in the HD + OH channel due to the 1 : 2 Fermi resonance between the fundamental OD stretch and the first overtone of the bend.

(1)H-Nuclear magnetic resonance-based plasma metabolic profiling of dairy cows with clinical and subclinical ketosis.

PubMed

Sun, L W; Zhang, H Y; Wu, L; Shu, S; Xia, C; Xu, C; Zheng, J S

2014-03-01

The purpose of this study was to assess the metabolic profile of plasma samples from cows with clinical and subclinical ketosis. According to clinical signs and 3-hydroxybutyrate plasma levels, 81 multiparous Holstein cows were selected from a dairy farm 7 to 21 d after calving. The cows were divided into 3 groups: cows with clinical ketosis, cows with subclinical ketosis, and healthy control cows. (1)H-Nuclear magnetic resonance-based metabolomics was used to assess the plasma metabolic profiles of the 3 groups. The data were analyzed by principal component analysis, partial least squares discriminant analysis, and orthogonal partial least-squares discriminant analysis. The differences in metabolites among the 3 groups were assessed. The orthogonal partial least-squares discriminant analysis model differentiated the 3 groups of plasma samples. The model predicted clinical ketosis with a sensitivity of 100% and a specificity of 100%. In the case of subclinical ketosis, the model had a sensitivity of 97.0% and specificity of 95.7%. Twenty-five metabolites, including acetoacetate, acetone, lactate, glucose, choline, glutamic acid, and glutamine, were different among the 3 groups. Among the 25 metabolites, 4 were upregulated, 7 were downregulated, and 14 were both upregulated and downregulated. The results indicated that plasma (1)H-nuclear magnetic resonance-based metabolomics, coupled with pattern recognition analytical methods, not only has the sensitivity and specificity to distinguish cows with clinical and subclinical ketosis from healthy controls, but also has the potential to be developed into a clinically useful diagnostic tool that could contribute to a further understanding of the disease mechanisms. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

NASA Astrophysics Data System (ADS)

Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

2012-08-01

The prospective future adoption of hydrogen to power the road transportation sector could greatly improve tropospheric air quality but also raises the question whether the adoption would have adverse effects on stratospheric ozone. The possibility of these undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on stratospheric ozone, with the MOZART chemical transport model. Since future growth is highly uncertain we evaluate the impact for two world evolution scenarios, one based on a high emitting scenario (IPCC A1FI) and the other on a low emitting scenario (IPCC B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario the world evolves and which H2 technology option is applied. For the same world evolution scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall between the above two bounding scenarios. However, the magnitude of these changes is

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: Comparisons of density functional theory and experiment

PubMed Central

Pelmenschikov, Vladimir; Guo, Yisong; Wang, Hongxin; Cramer, Stephen P.; Case, David A.

2010-01-01

Infrared, Raman, and nuclear resonant vibrational (NRVS) spectroscopies have been used to address the Fe-H bonding in trans-Fe(H)(CO) iron hydride compound, Fe(H)(CO)(dppe)2, dppe = 1,2-bis(diphenylphosphino)ethane. H and D isotopomers of the compound, with the selective substitution at the metal-coordinated hydrogen, have been considered in order to address the Fe-H/D stretching and bending modes. Experimental results are compared to the normal mode analysis by the density functional theory (DFT). The results are that (i) the IR spectrum does not clearly show Fe–H stretching or bending modes; (ii) Fe–H stretching modes are clear but weak in the Raman spectrum, and Fe–H bending modes are weak; (iii) NRVS 57Fe spectroscopy resolves Fe-H bending clearly, but Fe–H or Fe–D stretching is above its experimentally resolved frequency range. DFT caclulations (with no scaling of frequencies) show intensities and peak locations that allow unambigous correlations between observed and calculated features, with frequency errors generally less than 15 cm−1. Prospects for using these techniques to unravel vibrational modes of protein active sites are discussed. PMID:21322496

Rapid measurement of 3J(H N-H alpha) and 3J(N-H beta) coupling constants in polypeptides.

PubMed

Barnwal, Ravi Pratap; Rout, Ashok K; Chary, Kandala V R; Atreya, Hanudatta S

2007-12-01

We present two NMR experiments, (3,2)D HNHA and (3,2)D HNHB, for rapid and accurate measurement of 3J(H N-H alpha) and 3J(N-H beta) coupling constants in polypeptides based on the principle of G-matrix Fourier transform NMR spectroscopy and quantitative J-correlation. These experiments, which facilitate fast acquisition of three-dimensional data with high spectral/digital resolution and chemical shift dispersion, will provide renewed opportunities to utilize them for sequence specific resonance assignments, estimation/characterization of secondary structure with/without prior knowledge of resonance assignments, stereospecific assignment of prochiral groups and 3D structure determination, refinement and validation. Taken together, these experiments have a wide range of applications from structural genomics projects to studying structure and folding in polypeptides.

Nuclear magnetic resonance contrast agents

DOEpatents

Smith, P.H.; Brainard, J.R.; Jarvinen, G.D.; Ryan, R.R.

1997-12-30

A family of contrast agents for use in magnetic resonance imaging and a method of enhancing the contrast of magnetic resonance images of an object by incorporating a contrast agent of this invention into the object prior to forming the images or during formation of the images. A contrast agent of this invention is a paramagnetic lanthanide hexaazamacrocyclic molecule, where a basic example has the formula LnC{sub 16}H{sub 14}N{sub 6}. Important applications of the invention are in medical diagnosis, treatment, and research, where images of portions of a human body are formed by means of magnetic resonance techniques. 10 figs.

Nuclear magnetic resonance contrast agents

DOEpatents

Smith, Paul H.; Brainard, James R.; Jarvinen, Gordon D.; Ryan, Robert R.

1997-01-01

A family of contrast agents for use in magnetic resonance imaging and a method of enhancing the contrast of magnetic resonance images of an object by incorporating a contrast agent of this invention into the object prior to forming the images or during formation of the images. A contrast agent of this invention is a paramagnetic lanthanide hexaazamacrocyclic molecule, where a basic example has the formula LnC.sub.16 H.sub.14 N.sub.6. Important applications of the invention are in medical diagnosis, treatment, and research, where images of portions of a human body are formed by means of magnetic resonance techniques.

Automated and assisted RNA resonance assignment using NMR chemical shift statistics

PubMed Central

Aeschbacher, Thomas; Schmidt, Elena; Blatter, Markus; Maris, Christophe; Duss, Olivier; Allain, Frédéric H.-T.; Güntert, Peter; Schubert, Mario

2013-01-01

The three-dimensional structure determination of RNAs by NMR spectroscopy relies on chemical shift assignment, which still constitutes a bottleneck. In order to develop more efficient assignment strategies, we analysed relationships between sequence and 1H and 13C chemical shifts. Statistics of resonances from regularly Watson–Crick base-paired RNA revealed highly characteristic chemical shift clusters. We developed two approaches using these statistics for chemical shift assignment of double-stranded RNA (dsRNA): a manual approach that yields starting points for resonance assignment and simplifies decision trees and an automated approach based on the recently introduced automated resonance assignment algorithm FLYA. Both strategies require only unlabeled RNAs and three 2D spectra for assigning the H2/C2, H5/C5, H6/C6, H8/C8 and H1′/C1′ chemical shifts. The manual approach proved to be efficient and robust when applied to the experimental data of RNAs with a size between 20 nt and 42 nt. The more advanced automated assignment approach was successfully applied to four stem-loop RNAs and a 42 nt siRNA, assigning 92–100% of the resonances from dsRNA regions correctly. This is the first automated approach for chemical shift assignment of non-exchangeable protons of RNA and their corresponding 13C resonances, which provides an important step toward automated structure determination of RNAs. PMID:23921634

Potential Science and Technology Game Changers for the Ground Warfare of 2050: Selected Projections Made in 2017

DTIC Science & Technology

2018-02-01

ARL-TR-8283 ● FEB 2018 US Army Research Laboratory Potential Science and Technology Game Changers for the Ground Warfare of 2050...report when it is no longer needed. Do not return it to the originator. ARL-TR-8283 ● FEB 2018 US Army Research Laboratory Potential...ARL Kwong Choi and Joseph Mait Sensors and Electron Devices Directorate, ARL Brad Forch and Shashi Karna Weapons and Materials Research

An analytic model for buoyancy resonances in protoplanetary disks

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

Lubow, Stephen H.; Zhu, Zhaohuan, E-mail: lubow@stsci.edu, E-mail: zhzhu@astro.princeton.edu

2014-04-10

Zhu et al. found in three-dimensional shearing box simulations a new form of planet-disk interaction that they attributed to a vertical buoyancy resonance in the disk. We describe an analytic linear model for this interaction. We adopt a simplified model involving azimuthal forcing that produces the resonance and permits an analytic description of its structure. We derive an analytic expression for the buoyancy torque and show that the vertical torque distribution agrees well with the results of the Athena simulations and a Fourier method for linear numerical calculations carried out with the same forcing. The buoyancy resonance differs from themore » classic Lindblad and corotation resonances in that the resonance lies along tilted planes. Its width depends on damping effects and is independent of the gas sound speed. The resonance does not excite propagating waves. At a given large azimuthal wavenumber k{sub y} > h {sup –1} (for disk thickness h), the buoyancy resonance exerts a torque over a region that lies radially closer to the corotation radius than the Lindblad resonance. Because the torque is localized to the region of excitation, it is potentially subject to the effects of nonlinear saturation. In addition, the torque can be reduced by the effects of radiative heat transfer between the resonant region and its surroundings. For each azimuthal wavenumber, the resonance establishes a large scale density wave pattern in a plane within the disk.« less

Wind turbine blade waste in 2050.

PubMed

Liu, Pu; Barlow, Claire Y

2017-04-01

Wind energy has developed rapidly over the last two decades to become one of the most promising and economically viable sources of renewable energy. Although wind energy is claimed to provide clean renewable energy without any emissions during operation, but it is only one side of the coin. The blades, one of the most important components in the wind turbines, made with composite, are currently regarded as unrecyclable. With the first wave of early commercial wind turbine installations now approaching their end of life, the problem of blade disposal is just beginning to emerge as a significant factor for the future. This paper is aimed at discovering the magnitude of the wind turbine blade waste problem, looking not only at disposal but at all stages of a blade's lifecycle. The first stage of the research, the subject of this paper, is to accurately estimate present and future wind turbine blade waste inventory using the most recent and most accurate data available. The result will provide a solid reference point to help the industry and policy makers to understand the size of potential environmental problem and to help to manage it better. This study starts by estimating the annual blade material usage with wind energy installed capacity and average blade weight. The effect of other waste contributing factors in the full lifecycle of wind turbine blades is then included, using industrial data from the manufacturing, testing and in-service stages. The research indicates that there will be 43 million tonnes of blade waste worldwide by 2050 with China possessing 40% of the waste, Europe 25%, the United States 16% and the rest of the world 19%. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

1H magnetic resonance spectroscopy evidence for occipital involvement in treatment-naive paediatric obsessive-compulsive disorder.

PubMed

Ljungberg, Maria; Nilsson, Marie K L; Melin, Karin; Jönsson, Lars; Carlsson, Arvid; Carlsson, Åsa; Forssell-Aronsson, Eva; Ivarsson, Tord; Carlsson, Maria; Starck, Göran

2017-06-01

Obsessive-compulsive disorder (OCD) is a chronic psychiatric disorder leading to considerable distress and disability. Therapies are effective in a majority of paediatric patients, however, many only get partial response. It is therefore important to study the underlying pathophysiology of the disorder. 1H magnetic resonance spectroscopy (MRS) was used to study the concentration of brain metabolites in four different locations (cingulate gyrus and sulcus, occipital cortex, thalamus and right caudate nucleus). Treatment-naive children and adolescents with OCD (13 subjects) were compared with a group of healthy age- and gender-matched subjects (11 subjects). Multivariate analyses were performed on the concentration values. No separation between controls and patients was found. However, a correlation between metabolite concentrations and symptom severity as measured with the Children's Yale-Brown Obsessive-Compulsive Scale (CY-BOCS) was found. Strongest was the correlation with the CY-BOCS obsession subscore and aspartate and choline in the caudate nucleus (positively correlated with obsessions), lipids at 2 and 0.9 ppm in thalamus, and occipital glutamate+glutamine, N-acetylaspartate and myo-inosytol (negatively correlated with obsessions). The observed correlations between 1H MRS and CY-BOCS in treatment-naive patients further supports an occipital involvement in OCD. The results are consistent with our previous study on adult OCD patients. The 1H MRS data were not supportive of a separation between the patient and control groups.

FAST TRACK COMMUNICATION: Oscillation structures in elastic and electron capture cross sections for H+-H collisions in Debye plasmas

NASA Astrophysics Data System (ADS)

Wu, Y.; Wang, J. G.; Krstic, P. S.; Janev, R. K.

2010-10-01

We find that the number of vibrational states in the ground potential of a H2+ molecular ion embedded in the Debye plasma and the number of Regge oscillations in the resonant charge transfer cross section of the H+ + H collision system in the plasma are quasi-conserved when the Debye radius D is larger than 1.4a0. The elastic and resonant charge transfer processes in the H+ + H collision have been studied in the 0.1 meV-100 eV collision energy range for a wide range of Debye radii using a highly accurate calculation based on the modified ab initio multireference configuration interaction code. Remarkable plasma screening effects have been found in both the molecular structure and the collision dynamics of this system. Shape resonances, Regge and glory oscillations have been found in the integral cross sections in the considered energy range even for strong interaction screening, showing their ubiquitous nature.

m-Cresol purple functionalized surface enhanced Raman scattering paper chips for highly sensitive detection of pH in the neutral pH range.

PubMed

Zou, Xinxin; Wang, Yunqing; Liu, Wanhui; Chen, Lingxin

2017-06-26

Herein, a pH sensitive paper SERS chip was prepared by selecting m-cresol purple, a molecule with halochromic properties in the neutral pH range as a Raman reporter. The adsorbed m-cresol purple underwent a reversible change in its electronic configuration from a non-resonant species to a resonant species, which resulted in a significant Raman signal intensity variation due to the transformation of the sensing mode from SERS to surface-enhanced resonance Raman scattering (SERRS). The chips have a sensitive pH range of 6.0 to 8.0 and exhibited good performance for the detection of natural water samples with detection precision of approximately 0.03 pH units, suggesting great potential for environmental pH monitoring applications.

Comparing impacts of climate change and mitigation on global agriculture by 2050

NASA Astrophysics Data System (ADS)

van Meijl, Hans; Havlik, Petr; Lotze-Campen, Hermann; Stehfest, Elke; Witzke, Peter; Pérez Domínguez, Ignacio; Bodirsky, Benjamin Leon; van Dijk, Michiel; Doelman, Jonathan; Fellmann, Thomas; Humpenöder, Florian; Koopman, Jason F. L.; Müller, Christoph; Popp, Alexander; Tabeau, Andrzej; Valin, Hugo; van Zeist, Willem-Jan

2018-06-01

Systematic model inter-comparison helps to narrow discrepancies in the analysis of the future impact of climate change on agricultural production. This paper presents a set of alternative scenarios by five global climate and agro-economic models. Covering integrated assessment (IMAGE), partial equilibrium (CAPRI, GLOBIOM, MAgPIE) and computable general equilibrium (MAGNET) models ensures a good coverage of biophysical and economic agricultural features. These models are harmonized with respect to basic model drivers, to assess the range of potential impacts of climate change on the agricultural sector by 2050. Moreover, they quantify the economic consequences of stringent global emission mitigation efforts, such as non-CO2 emission taxes and land-based mitigation options, to stabilize global warming at 2 °C by the end of the century under different Shared Socioeconomic Pathways. A key contribution of the paper is a vis-à-vis comparison of climate change impacts relative to the impact of mitigation measures. In addition, our scenario design allows assessing the impact of the residual climate change on the mitigation challenge. From a global perspective, the impact of climate change on agricultural production by mid-century is negative but small. A larger negative effect on agricultural production, most pronounced for ruminant meat production, is observed when emission mitigation measures compliant with a 2 °C target are put in place. Our results indicate that a mitigation strategy that embeds residual climate change effects (RCP2.6) has a negative impact on global agricultural production relative to a no-mitigation strategy with stronger climate impacts (RCP6.0). However, this is partially due to the limited impact of the climate change scenarios by 2050. The magnitude of price changes is different amongst models due to methodological differences. Further research to achieve a better harmonization is needed, especially regarding endogenous food and feed

DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN UP TO 200 KEV OF DAMAGE ENERGY AT 300, 1025, AND 2050 K

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

Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.

2015-09-22

We generated molecular dynamics database of primary defects that adequately covers the range of tungsten recoil energy imparted by 14-MeV neutrons. During this semi annual period, cascades at 150 and 200 keV at 300 and 1025 K were simulated. Overall, we included damage energy up to 200 keV at 300 and 1025 K, and up to 100 keV at 2050 K. We report the number of surviving Frenkel pairs (NF) and the size distribution of defect clusters. The slope of the NF curve versus cascade damage energy (EMD), on a log-log scale, changes at a transition energy (μ). For EMDmore » > μ, the cascade forms interconnected damage regions that facilitate the formation of large clusters of defects. At 300 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 266 and 335, respectively. Similarly, at 1025 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 296 and 338, respectively. At 2050 K, large interstitial clusters also routinely form, but practically no large vacancy clusters do« less

Analysis of Costs and Time Frame for Reducing CO2 Emissions by 70% in the U.S. Auto and Energy Sectors by 2050.

PubMed

Supekar, Sarang D; Skerlos, Steven J

2017-10-03

Using a least-cost optimization framework, it is shown that unless emissions reductions beyond those already in place begin at the latest by 2025 (±2 years) for the U.S. automotive sector, and by 2026 (-3 years) for the U.S. electric sector, 2050 targets to achieve necessary within-sector preventative CO 2 emissions reductions of 70% or more relative to 2010 will be infeasible. The analysis finds no evidence to justify delaying climate action in the name of reducing technological costs. Even without considering social and environmental damage costs, delaying aggressive climate action does not reduce CO 2 abatement costs even under the most optimistic trajectories for improvements in fuel efficiencies, demand, and technology costs in the U.S. auto and electric sectors. In fact, the abatement cost for both sectors is found to increase sharply with every year of delay beyond 2020. When further considering reasonable limits to technology turnover, retirements, and new capacity additions, these costs would be higher, and the feasible time frame for initiating successful climate action on the 70% by 2050 target would be shorter, perhaps having passed already. The analysis also reveals that optimistic business-as-usual scenarios in the U.S. will, conservatively, release 79-108 billion metric tons of CO 2 . This could represent up to 13% of humanity's remaining carbon budget through 2050.

Pulsed-laser excitation of acoustic modes in open high-Q photoacoustic resonators for trace gas monitoring: results for C2H4

NASA Astrophysics Data System (ADS)

Brand, Christian; Winkler, Andreas; Hess, Peter; Miklós, András; Bozóki, Zoltán; Sneider, János

1995-06-01

The pulsed excitation of acoustic resonances was studied with a continuously monitoring photoacoustic detector system. Acoustic waves were generated in C2H4/N 2 gas mixtures by light absorption of the pulses from a transversely excited atmospheric CO2 laser. The photoacoustic part consisted of high-Q cylindrical resonators (Q factor 820 for the first radial mode in N2) and two adjoining variable acoustic filter systems. The time-resolved signal was Fourier transformed to a frequency spectrum of high resolution. For the first radial mode a Lorentzian profile was fitted to the measured data. The outside noise suppression and the signal-to-noise ratio were investigated in a normal laboratory environment in the flow-through mode. The acoustic and electric filter system combined with the

Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

NASA Astrophysics Data System (ADS)

Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

2013-07-01

The prospective future adoption of molecular hydrogen (H2) to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers) model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change) high-emitting scenario (A1FI) and the other on an IPCC low-emitting scenario (B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall

Neutron cross sections. Volume I. Resonance parameters

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

Mughabghab, S.F.; Garber, D.I.

1973-06-01

In contrast to earlier editions, which presented in compact form a summary of the complete store of the neutron data files, this edition aims to provide those portions of neutron data considered to be of prime importance and best suited for inclusion in ready reference form. This volume contains thermal cross sections, resonance properties, resonance parameters, and bibliography for nuclides from H to /sup 257/Fm. Notation and nomenclature, considerations involved in the recommendations, and a table of energyordered resonances are also included. (RWR)

Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system.

PubMed

Graafen, Dirk; Franzoni, María Belén; Schreiber, Laura M; Spiess, Hans W; Münnemann, Kerstin

2016-01-01

Hyperpolarization is a powerful tool to overcome the low sensitivity of nuclear magnetic resonance (NMR). However, applications are limited due to the short lifetime of this non equilibrium spin state caused by relaxation processes. This issue can be addressed by storing hyperpolarization in slowly decaying singlet spin states which was so far mostly demonstrated for non-proton spin pairs, e.g. (13)C-(13)C. Protons hyperpolarized by parahydrogen induced polarization (PHIP) in symmetrical molecules, are very well suited for this strategy because they naturally exhibit a long-lived singlet state. The conversion of the NMR silent singlet spin state to observable magnetization can be achieved by making use of singlet-triplet level anticrossings. In this study, a low-power radiofrequency pulse sequence is used for this purpose, which allows multiple successive singlet-triplet conversions. The generated magnetization is used to record proton images in a clinical magnetic resonance imaging (MRI) system, after 3min waiting time. Our results may open unprecedented opportunities to use the standard MRI nucleus (1)H for e.g. metabolic imaging in the future. Copyright © 2016. Published by Elsevier Inc.

H and H2 NMR properties in amorphous hydrogenated silicon (a-Si:H)

NASA Astrophysics Data System (ADS)

Lee, Sook

1986-07-01

It is shown that the basic NMR properties of ortho-H2 molecules with a rotational angular momentum J and a spin angular momentum I under the influence of a completely asymmetric crystalline field in an amorphous matrix can be described by an effective nuclear spin Hamiltonian which contains only the nuclear spin angular momentum operators (Ii), but is independent of the molecular rotational angular momentum operators (Ji). By directly applying the existing magnetic-resonance theories to this effective nuclear spin Hamiltonian, a simple description is presented for various static and dynamic NMR properties of the ortho-H2 NMR centers in amorphous hydrogenated silicon (a-Si:H), thereby resolving many difficulties and uncertainties encountered in understanding and explaining the H and H2 NMR observations in a-Si:H.

Low temperature ECR-CVD of SiN X for III-V device passivation

NASA Astrophysics Data System (ADS)

Lee, J. W.; MacKenzie, K.; Johnson, D.; Shul, R. J.; Pearton, S. J.; Ren, F.

1998-06-01

Electron Cyclotron Resonance SiH 4/N 2 and SiH 4/NH 3 discharges have been employed for deposition of SiN X over a range of temperatures (25-120°C), source powers (200-700 W), pressures (15-40 mTorr), SiH 4 percentages (20-50%) and additional Ar flow rates (0-30 sccm). Deposition rates were in the range 100-700 Å min -1, with refractive indices of 1.7-2.3. The SiH 4/N 2 chemistry allowed a wider process window for tailoring the stress in the SiN X films, with chuck temperature, ECR source power, chamber pressure, SiH 4 composition and Ar addition all producing a transition from compressive to tensile stress, or vice-versa.

Selective excitation enables assignment of proton resonances and (1)H-(1)H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy.

PubMed

Zhang, Rongchun; Ramamoorthy, Ayyalusamy

2015-07-21

Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of (1)H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as (13)C or (15)N. In this method, after the initial preparation of proton magnetization and cross-polarization to (13)C nuclei, transverse magnetization of desired (13)C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific (13)C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of (1)H-(1)H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

Two-photon absorption resonance in 3-(1,1-dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (DCNP)

NASA Astrophysics Data System (ADS)

Miniewicz, Andrzej; Delysse, Stéphane; Nunzi, Jean-Michel; Kajzar, François

1998-04-01

A two-photon absorption spectrum of 3-(1,1-dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (DCNP) in tetrahydrofuran solution has been studied by the Kerr ellipsometry technique. The spectral shape and amplitude of the imaginary part of the dominant molecular hyperpolarizability term Im( γXXXX) is compared with the relevant linear absorption spectrum within a simple two-level model. Agreement between the measured γXXXX=2.0×10 -48 m 5 V -2 and calculated γXXXX=(1.2-1.5)×10 -48 m 5 V -2 two-photon absorption molecular hyperpolarizabilties in the vicinity of the two-photon resonance transition is satisfactory.

1H, 13C, and 15N resonance assignments for Escherichia coli ytfP, a member of the broadly conserved UPF0131 protein domain family

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

Aramini, James M.; Swapna, G.V.T.; Huang, Yuanpeng

2005-11-01

Protein ytfP from Escherichia coli (Swiss-Prot ID: YTFP-ECOLI; NESG target ID: ER111; Wunderlich et al., 2004) is a 113-residue member of the UPF0131 protein family (Pfam ID: PF03674) of unknown function. This domain family is found in organisms from all three kingdoms, archaea, eubacteria and eukaryotes. Using triple resonance NMR techniques, we have determined 97% of backbone and 91% of side chain 1H, 13C, and 15N resonance assignments. The chemical shift and 3J(HN?Ha) scalar coupling data reveal a mixed a/b topology,????????. BMRB deposit with Accession No. 6448. Reference: Wunderlich et al. (2004) Proteins, 56, 181?187.

Fast Magic-Angle Spinning Three-Dimensional NMR Experiment for Simultaneously Probing H-H and N-H Proximities in Solids.

PubMed

Reddy, G N Manjunatha; Malon, Michal; Marsh, Andrew; Nishiyama, Yusuke; Brown, Steven P

2016-12-06

A fast magic-angle spinning (MAS, 70 kHz) solid-state NMR experiment is presented that combines 1 H Double-Quantum (DQ) and 14 N- 1 H HMQC (Heteronuclear Multiple-Quantum Coherence) pulse-sequence elements, so as to simultaneously probe H-H and N-H proximities in molecular solids. The proposed experiment can be employed in both two-dimensional (2D) and three-dimensional (3D) versions: first, a 2D 14 N HMQC-filtered 1 H-DQ experiment provides specific DQ-SQ correlation peaks for proton pairs that are in close proximities to the nitrogen sites, thereby achieving spectral filtration. Second, a proton-detected three-dimensional (3D) 1 H(DQ)- 14 N(SQ)- 1 H(SQ) experiment correlates 1 H(DQ)- 1 H(SQ) chemical shifts with 14 N shifts such that longer range N···H-H correlations are observed between protons and nitrogen atoms with internuclear NH distances exceeding 3 Å. Both 2D and 3D versions of the proposed experiment are demonstrated for an amino acid hydrochloride salt, l-histidine·HCl·H 2 O, and a DNA nucleoside, guanosine·2H 2 O. In the latter case, the achieved spectral filtration ensures that DQ cross peaks are only observed for guanine NH and CH8 1 H resonances and not ribose and water 1 H resonances, thus providing insight into the changes in the solid-state structure of this hydrate that occur over time; significant changes are observed in the NH and NH 2 1 H chemical shifts as compared to the freshly recrystallized sample previously studied by Reddy et al., Cryst. Growth Des. 2015, 15, 5945.

Urban Environmental Education for Global Transformation Initiatives - Integrating Information and Communication Systems for Urban Sustainability in 2050.

NASA Astrophysics Data System (ADS)

Chaudhari, K.

2017-12-01

The Urban population of developing countries is predicted to rise from one third in 1990 to over 50% by 2025. In 1950 the world's total urban population was 734 million, of whom 448 million were living in developed countries and remaining 286 were in developing region. The total population on earth is predicted to increase by more than one billion people within the next 15 years, reaching 8.5 billion in 2030, and to increase further to 9.7 billion in 2050 and 11.2 billion by 2100. Looking at the ever increasing urbanization.In 2016, an estimated 54.5 per cent of the world's populations inhabited in urban region. By 2030, urban areas are projected to shelter 60 per cent of people worldwide and one in every three people will live in cities with at least half a million inhabitants.On the basis of these figures and other global trends, it would appear that Africa and Asia will have the highest share of world's urban growth in next 25 years, resulting consideration rise of large number of metropolitan cities and towns. Therefore issues related to urban climate change will be important for socio economic development for urban transformation through environmental sustainability.The information and communication systems plays an important role in achieving the social sustainability through environmental sustainability for urban transformation. This presentation aims to start the Global initiatives on the problem identifications in environment education for global transformation, education for socio-economic and environmental sustainability due to urbanization in 2050 to investigate problems related to social-economic risks and management issues resulting from urbanization to aid mitigation planning in globalized world and to educate scientists and local populations to form a basis for sustainable solutions in environment learning.The presentation aims to assess the potential of information and communication technology for environment education,both within different

1H-Nuclear Magnetic Resonance-Based Plasma Metabolic Profiling of Dairy Cows with Fatty Liver

PubMed Central

Xu, Chuang; Sun, Ling-wei; Xia, Cheng; Zhang, Hong-you; Zheng, Jia-san; Wang, Jun-song

2016-01-01

Fatty liver is a common metabolic disorder of dairy cows during the transition period. Historically, the diagnosis of fatty liver has involved liver biopsy, biochemical or histological examination of liver specimens, and ultrasonographic imaging of the liver. However, more convenient and noninvasive methods would be beneficial for the diagnosis of fatty liver in dairy cows. The plasma metabolic profiles of dairy cows with fatty liver and normal (control) cows were investigated to identify new biomarkers using 1H nuclear magnetic resonance. Compared with the control group, the primary differences in the fatty liver group included increases in β-hydroxybutyric acid, acetone, glycine, valine, trimethylamine-N-oxide, citrulline, and isobutyrate, and decreases in alanine, asparagine, glucose, γ-aminobutyric acid glycerol, and creatinine. This analysis revealed a global profile of endogenous metabolites, which may present potential biomarkers for the diagnosis of fatty liver in dairy cows. PMID:26732447

Active tuning of surface phonon polariton resonances via carrier photoinjection

NASA Astrophysics Data System (ADS)

Dunkelberger, Adam D.; Ellis, Chase T.; Ratchford, Daniel C.; Giles, Alexander J.; Kim, Mijin; Kim, Chul Soo; Spann, Bryan T.; Vurgaftman, Igor; Tischler, Joseph G.; Long, James P.; Glembocki, Orest J.; Owrutsky, Jeffrey C.; Caldwell, Joshua D.

2018-01-01

Surface phonon polaritons (SPhPs) are attractive alternatives to infrared plasmonics for subdiffractional confinement of infrared light. Localized SPhP resonances in semiconductor nanoresonators are narrow, but that linewidth and the limited extent of the Reststrahlen band limit spectral coverage. To address this limitation, we report active tuning of SPhP resonances in InP and 4H-SiC by photoinjecting free carriers into nanoresonators, taking advantage of the coupling between the carrier plasma and optic phonons to blueshift SPhP resonances. We demonstrate state-of-the-art tuning figures of merit upon continuous-wave excitation (in InP) or pulsed excitation (in 4H-SiC). Lifetime effects cause the tuning to saturate in InP, and carrier redistribution leads to rapid (<50 ps) recovery of the resonance in 4H-SiC. This work demonstrates the potential for this method and opens a path towards actively tuned nanophotonic devices, such as modulators and beacons, in the infrared, and identifies important implications of coupling between electronic and phononic excitations.

Frequency and magnetic field mapping of magnetoelastic spin pumping in high overtone bulk acoustic wave resonator

NASA Astrophysics Data System (ADS)

Polzikova, N. I.; Alekseev, S. G.; Pyataikin, I. I.; Luzanov, V. A.; Raevskiy, A. O.; Kotov, V. A.

2018-05-01

We report on the first observation of microvolt-scale inverse spin Hall effect (ISHE) dc voltage driven by an acoustic spin pumping (ASP) in a bulk acoustic wave (BAW) resonator formed by a Al-ZnO-Al-YIG(1)-GGG-YIG(2)-Pt structure. When 2 mW power is applied to an Al-ZnO-Al transducer, the voltage VISHE ˜ 4 μV in the Pt film is observed as a result of resonant ASP from YIG(2) to Pt in the area ˜ 170 μm. The results of frequency and magnetic field mapping of VISHE(f,H) together with reflectivity of the resonator show an obvious agreement between the positions of the voltage maxima and BAW resonance frequencies fn(H) on the (f, H) plane. At the same time a significant asymmetry of the VISHE(fn(H)) value in reference to the magnetoelastic resonance (MER) line fMER(H) position is revealed, which is explained by asymmetry of the magnetoelastic waves dispersion law.

Novel 1H low field nuclear magnetic resonance applications for the field of biodiesel

PubMed Central

2013-01-01

Background Biodiesel production has increased dramatically over the last decade, raising the need for new rapid and non-destructive analytical tools and technologies. 1H Low Field Nuclear Magnetic Resonance (LF-NMR) applications, which offer great potential to the field of biodiesel, have been developed by the Phyto Lipid Biotechnology Lab research team in the last few years. Results Supervised and un-supervised chemometric tools are suggested for screening new alternative biodiesel feedstocks according to oil content and viscosity. The tools allowed assignment into viscosity groups of biodiesel-petrodiesel samples whose viscosity is unknown, and uncovered biodiesel samples that have residues of unreacted acylglycerol and/or methanol, and poorly separated and cleaned glycerol and water. In the case of composite materials, relaxation time distribution, and cross-correlation methods were successfully applied to differentiate components. Continuous distributed methods were also applied to calculate the yield of the transesterification reaction, and thus monitor the progress of the common and in-situ transesterification reactions, offering a tool for optimization of reaction parameters. Conclusions Comprehensive applied tools are detailed for the characterization of new alternative biodiesel resources in their whole conformation, monitoring of the biodiesel transesterification reaction, and quality evaluation of the final product, using a non-invasive and non-destructive technology that is new to the biodiesel research area. A new integrated computational-experimental approach for analysis of 1H LF-NMR relaxometry data is also presented, suggesting improved solution stability and peak resolution. PMID:23590829

In vitro quantitative ((1))H and ((19))F nuclear magnetic resonance spectroscopy and imaging studies of fluvastatin™ in Lescol® XL tablets in a USP-IV dissolution cell.

PubMed

Zhang, Qilei; Gladden, Lynn; Avalle, Paolo; Mantle, Michael

2011-12-20

Swellable polymeric matrices are key systems in the controlled drug release area. Currently, the vast majority of research is still focused on polymer swelling dynamics. This study represents the first quantitative multi-nuclear (((1))H and ((19))F) fast magnetic resonance imaging study of the complete dissolution process of a commercial (Lescol® XL) tablet, whose formulation is based on the hydroxypropyl methylcellulose (HPMC) polymer under in vitro conditions in a standard USP-IV (United States Pharmacopeia apparatus IV) flow-through cell that is incorporated into high field superconducting magnetic resonance spectrometer. Quantitative RARE ((1))H magnetic resonance imaging (MRI) and ((19))F nuclear magnetic resonance (NMR) spectroscopy and imaging methods have been used to give information on: (i) dissolution media uptake and hydrodynamics; (ii) active pharmaceutical ingredient (API) mobilisation and dissolution; (iii) matrix swelling and dissolution and (iv) media activity within the swelling matrix. In order to better reflect the in vivo conditions, the bio-relevant media Simulated Gastric Fluid (SGF) and Fasted State Simulated Intestinal Fluid (FaSSIF) were used. A newly developed quantitative ultra-fast MRI technique was applied and the results clearly show the transport dynamics of media penetration and hydrodynamics along with the polymer swelling processes. The drug dissolution and mobility inside the gel matrix was characterised, in parallel to the ((1))H measurements, by ((19))F NMR spectroscopy and MRI, and the drug release profile in the bulk solution was recorded offline by UV spectrometer. We found that NMR spectroscopy and 1D-MRI can be uniquely used to monitor the drug dissolution/mobilisation process within the gel layer, and the results from ((19))F NMR spectra indicate that in the gel layer, the physical mobility of the drug changes from "dissolved immobilised drug" to "dissolved mobilised drug". Copyright © 2011 Elsevier B.V. All rights

Synergetic photocatalytic effect between 1 T@2H-MoS2 and plasmon resonance induced by Ag quantum dots

NASA Astrophysics Data System (ADS)

Liu, Haiyang; Wu, Rong; Tian, Lie; Kong, Yangyang; Sun, Yanfei

2018-07-01

Semiconductor phase transitions and plasma noble metal quantum dots (QDs) for visible-light-driven photocatalysts have attracted significant research interest. In this study, novel microwave hydrothermal and photo-reduction methods are proposed to synthesise a visible-light-driven plasma photocatalytic 1T@2H-MoS2/Ag composite. Photoelectrochemical results show that the introduction of the 1T phase and Ag significantly enhances the light response range and charge separation. The 1T phase can act as a co-catalyst to provide a high electron concentration. Ag QDs can effectively improve the light absorption and catalytic effect. The synergistic effect between the 1T@2H-MoS2 microspheres and localised surface plasmon resonance of the Ag QDs can effectively enhance the photocatalytic activity of 1T@2H-MoS2/Ag. The developed 1T@2H-MoS2/Ag composite is superior, not only with respect to a visible-light photocatalytic degradation of conventional dyes, but also in the photocatalytic reduction of Cr(VI). Compared with 2H-MoS2, the catalytic efficiency of 1T@2H-MoS2/Ag for Cr(VI) and MB is increased by 81% and 41%, respectively. This study demonstrates that the introduction of 1T-MoS2 and Ag QDs can significantly enhance the catalytic properties of 2H-MoS2. The microwave and photo-reduction technologies can be employed as green, safe, simple, and rapid methods for the synthesis of noble metal plasma composites.

Synergetic photocatalytic effect between 1 T@2H-MoS2 and plasmon resonance induced by Ag quantum dots.

PubMed

Liu, Haiyang; Wu, Rong; Tian, Lie; Kong, Yangyang; Sun, Yanfei

2018-07-13

Semiconductor phase transitions and plasma noble metal quantum dots (QDs) for visible-light-driven photocatalysts have attracted significant research interest. In this study, novel microwave hydrothermal and photo-reduction methods are proposed to synthesise a visible-light-driven plasma photocatalytic 1T@2H-MoS 2 /Ag composite. Photoelectrochemical results show that the introduction of the 1T phase and Ag significantly enhances the light response range and charge separation. The 1T phase can act as a co-catalyst to provide a high electron concentration. Ag QDs can effectively improve the light absorption and catalytic effect. The synergistic effect between the 1T@2H-MoS 2 microspheres and localised surface plasmon resonance of the Ag QDs can effectively enhance the photocatalytic activity of 1T@2H-MoS 2 /Ag. The developed 1T@2H-MoS 2 /Ag composite is superior, not only with respect to a visible-light photocatalytic degradation of conventional dyes, but also in the photocatalytic reduction of Cr(VI). Compared with 2H-MoS 2 , the catalytic efficiency of 1T@2H-MoS 2 /Ag for Cr(VI) and MB is increased by 81% and 41%, respectively. This study demonstrates that the introduction of 1T-MoS 2 and Ag QDs can significantly enhance the catalytic properties of 2H-MoS 2 . The microwave and photo-reduction technologies can be employed as green, safe, simple, and rapid methods for the synthesis of noble metal plasma composites.

Historical emissions of HFC-23 (CHF3) in China and projections upon policy options by 2050.

PubMed

Fang, Xuekun; Miller, Benjamin R; Su, Shenshen; Wu, Jing; Zhang, Jianbo; Hu, Jianxin

2014-04-01

Trifluoromethane (CHF3, HFC-23) is one of the hydrofluorocarbons (HFCs) regulated under the Kyoto Protocol with a global warming potential (GWP) of 14 800 (100-year). China's past, present, and future HFC-23 emissions are of considerable interest to researchers and policymakers involved in climate change. In this study, we compiled a comprehensive historical inventory (1980-2012) and a projection (2013-2050) of HFC-23 production, abatements, and emissions in China. Results show that HFC-23 production in China increased from 0.08 ± 0.05 Gg/yr in 1980 to 15.4 ± 2.1 Gg/yr (228 ± 31 Tg/yr CO2-eq) in 2012, while actual HFC-23 emissions reached a peak of 10.5 ± 1.8 Gg/yr (155 ± 27 Tg/y CO2-eq) in 2006, and decreased to a minimum of 7.3 ± 1.3 Gg/yr (108 ± 19 Tg/yr CO2-eq) in 2008 and 2009. Under the examined business-as-usual (BAU) scenario, the cumulative emissions of HFC-23 in China over the period 2013-2050 are projected to be 609 Gg (9015 Tg CO2-eq which approximates China's 2012 CO2 emissions). Currently, China's annual HFC-23 emissions are much higher than those from the developed countries, while it is estimated that by year 2027, China's historic contribution to the global atmospheric burden of HFC-23 will have surpassed that of the developed nations under the BAU scenario.

Integration of 3D 1H-magnetic resonance spectroscopy data into neuronavigation systems for tumor biopsies

NASA Astrophysics Data System (ADS)

Kanberoglu, Berkay; Moore, Nina Z.; Frakes, David; Karam, Lina J.; Debbins, Josef P.; Preul, Mark C.

2013-03-01

Many important applications in clinical medicine can benefit from the fusion of spectroscopy data with anatomical images. For example, the correlation of metabolite profiles with specific regions of interest in anatomical tumor images can be useful in characterizing and treating heterogeneous tumors that appear structurally homogeneous. Such applications can build on the correlation of data from in-vivo Proton Magnetic Resonance Spectroscopy Imaging (1HMRSI) with data from genetic and ex-vivo Nuclear Magnetic Resonance spectroscopy. To establish that correlation, tissue samples must be neurosurgically extracted from specifically identified locations with high accuracy. Toward that end, this paper presents new neuronavigation technology that enhances current clinical capabilities in the context of neurosurgical planning and execution. The proposed methods improve upon the current state-of-the-art in neuronavigation through the use of detailed three dimensional (3D) 1H-MRSI data. MRSI spectra are processed and analyzed, and specific voxels are selected based on their chemical contents. 3D neuronavigation overlays are then generated and applied to anatomical image data in the operating room. Without such technology, neurosurgeons must rely on memory and other qualitative resources alone for guidance in accessing specific MRSI-identified voxels. In contrast, MRSI-based overlays provide quantitative visual cues and location information during neurosurgery. The proposed methods enable a progressive new form of online MRSI-guided neuronavigation that we demonstrate in this study through phantom validation and clinical application.

The economic feasibility of seawater desalination over the global scale: assessment of the production cost development and national water price until 2050

NASA Astrophysics Data System (ADS)

Gao, L.; Yoshikawa, S.; Iseri, Y.; Kanae, S.

2016-12-01

As many countries are suffering water scarcity due to the climate change and human activities, seawater desalination using reverse osmosis (SWRO) has shown to be a progressively promising countermeasure to satisfy the growing water demand. Therefore, the economic feasibility assessment of SWRO will be beneficial for the potential investors and policy-makers of government. In present study, it have proposed a systematic method to evaluate the economic feasibility of implementing SWRO in 140 counties and further estimated the potential future diffusion of SWRO over global scale by 2050. To the purpose, two models has been separately developed to simulate the production cost of SWRO and conventional water price, which are identified as the critical economic factors for feasibility evaluation of SWRO. These two models were firstly applied to historical validation in which proven to be able to well simulate both these two economic factors, and then were applied globally for future simulation over the period of 2015-2050 under three socioeconomic scenarios, i.e. SSP (Shared Socioeconomic Pathways) 1-3. Basin on the estimated production cost and water price, the economic feasibility of adopting SWRO coupling with its future potentialities were carefully evaluated. As a result, it indicated that SWRO was expected to be cost-effectively adopted in more countries by 2050, especially in these developing countries. The significant potential diffusion of SWRO in countries was mainly attributed to both the diminishing production cost and the increasing conventional water price as a result of income growth globally in three SSPs scenarios.

Minority heating scenarios in ^4He(H) and ^3He(H) SST-1 plasmas

NASA Astrophysics Data System (ADS)

Chattopadhyay, Asim Kumar

2018-01-01

A numerical analysis of ion cyclotron resonance heating scenarios in two species of low ion temperature plasma has been done to elucidate the physics and possibility to achieve H-mode in tokamak plasma. The analysis is done in the steady-state superconducting tokamak, SST-1, using phase-I plasma parameters which is basically L-mode plasma parameters having low ion temperature and magnetic field with the help of the ion cyclotron heating code TORIC combined with `steady state Fokker-Planck quasilinear' (SSFPQL) solver. As a minority species hydrogen has been used in ^3He and ^4He plasmas to make two species ^3He(H) and ^4He(H) plasmas to study the ion cyclotron wave absorption scenarios. The minority heating is predominant in ^3He(H) and ^4He(H) plasmas as minority resonance layers are not shielded by ion-ion resonance and cut-off layers in both cases, and it is better in ^4He(H) plasma due to the smooth penetration of wave through plasma-vacuum surface. In minority concentration up to 15%, it has been observed that minority ion heating is the principal heating mechanism compared to electron heating and heating due to mode conversion phenomena. Numerical analysis with the help of SSFPQL solver shows that the tail of the distribution function of the minority ion is more energetic than that of the majority ion and therefore, more anisotropic. Due to good coupling of the wave and predominance of the minority heating regime, producing energetic ions in the tail region of the distribution function, the ^4He(H) and ^3He(H) plasmas could be studied in-depth to achieve H-mode in two species of low-temperature plasma.

Resonance Shift of Single-Axis Acoustic Levitation

NASA Astrophysics Data System (ADS)

Xie, Wen-Jun; Wei, Bing-Bo

2007-01-01

The resonance shift due to the presence and movement of a rigid spherical sample in a single-axis acoustic levitator is studied with the boundary element method on the basis of a two-cylinder model of the levitator. The introduction of a sample into the sound pressure nodes, where it is usually levitated, reduces the resonant interval Hn (n is the mode number) between the reflector and emitter. The larger the sample radius, the greater the resonance shift. When the sample moves along the symmetric axis, the resonance interval Hn varies in an approximately periodical manner, which reaches the minima near the pressure nodes and the maxima near the pressure antinodes. This suggests a resonance interval oscillation around its minimum if the stably levitated sample is slightly perturbed. The dependence of the resonance shift on the sample radius R and position h for the single-axis acoustic levitator is compared with Leung's theory for a closed rectangular chamber, which shows a good agreement.

Establishing ¹H nuclear magnetic resonance based metabonomics fingerprinting profile for spinal cord injury: a pilot study.

PubMed

Jiang, Hua; Peng, Jin; Zhou, Zhi-yuan; Duan, Yu; Chen, Wei; Cai, Bin; Yang, Hao; Zhang, Wei

2010-09-01

Spinal cord injury (SCI) is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics fingerprinting atlas for SCI using (1)H nuclear magnetic resonance (NMR) based metabonomics methodology and principal component analysis techniques. Nine Sprague-Dawley (SD) male rats were randomly divided into SCI, normal and sham-operation control groups. Plasma samples were collected for (1)H NMR spectroscopy 3 days after operation. The NMR data were analyzed using principal component analysis technique with Matlab software. Metabonomics analysis was able to distinguish the three groups (SCI, normal control, sham-operation). The fingerprinting atlas indicated that, compared with those without SCI, the SCI group demonstrated the following characteristics with regard to second principal component: it is made up of fatty acids, myc-inositol, arginine, very low-density lipoprotein (VLDL), low-density lipoprotein (LDL), triglyceride (TG), glucose, and 3-methyl-histamine. The data indicated that SCI results in several significant changes in plasma metabolism early on and that a metabonomics approach based on (1)H NMR spectroscopy can provide a metabolic profile comprising several metabolite classes and allow for relative quantification of such changes. The results also provided support for further development and application of metabonomics technologies for studying SCI and for the utilization of multivariate models for classifying the extent of trauma within an individual.

Environmental and resource burdens associated with world biofuel production out to 2050: footprint components from carbon emissions and land use to waste arisings and water consumption.

PubMed

Hammond, Geoffrey P; Li, Bo

2016-09-01

Environmental or 'ecological' footprints have been widely used in recent years as indicators of resource consumption and waste absorption presented in terms of biologically productive land area [in global hectares (gha)] required per capita with prevailing technology. In contrast, 'carbon footprints' are the amount of carbon (or carbon dioxide equivalent) emissions for such activities in units of mass or weight (like kilograms per functional unit), but can be translated into a component of the environmental footprint (on a gha basis). The carbon and environmental footprints associated with the world production of liquid biofuels have been computed for the period 2010-2050. Estimates of future global biofuel production were adopted from the 2011 International Energy Agency (IEA) 'technology roadmap' for transport biofuels. This suggests that, although first generation biofuels will dominate the market up to 2020, advanced or second generation biofuels might constitute some 75% of biofuel production by 2050. The overall environmental footprint was estimated to be 0.29 billion (bn) gha in 2010 and is likely to grow to around 2.57 bn gha by 2050. It was then disaggregated into various components: bioproductive land, built land, carbon emissions, embodied energy, materials and waste, transport, and water consumption. This component-based approach has enabled the examination of the Manufactured and Natural Capital elements of the 'four capitals' model of sustainability quite broadly, along with specific issues (such as the linkages associated with the so-called energy-land-water nexus). Bioproductive land use was found to exhibit the largest footprint component (a 48% share in 2050), followed by the carbon footprint (23%), embodied energy (16%), and then the water footprint (9%). Footprint components related to built land, transport and waste arisings were all found to account for an insignificant proportion to the overall environmental footprint, together amounting to

Polymorphism of POPE/cholesterol system: a 2H nuclear magnetic resonance and infrared spectroscopic investigation.

PubMed Central

Paré, C; Lafleur, M

1998-01-01

It is well established that cholesterol induces the formation of a liquid-ordered phase in phosphatidylcholine (PC) bilayers. The goal of this work is to examine the influence of cholesterol on phosphatidylethanolamine polymorphism. The behavior of 1-palmitoyl-2-oleoyl-phosphatidylethanolamine (POPE)/cholesterol mixtures was characterized using infrared and 2H nuclear magnetic resonance (NMR) spectroscopy (using POPE bearing a perdeuterated palmitoyl chain in the latter case). Our results reveal that cholesterol induces the formation of a liquid-ordered phase in POPE membranes, similar to those observed for various PC/cholesterol systems. However, the coexistence region of the gel and the liquid-ordered phases is different from that proposed for PC/cholesterol systems. The results indicate a progressive broadening of the gel-to-fluid phase transition, suggesting the absence of an eutectic. In addition, there is a progressive downshift of the end of the transition for cholesterol content higher than 10 mol %. Cholesterol has an ordering effect on the acyl chains of POPE, but it is less pronounced than for the PC equivalent. This study also shows that the cholesterol effect on the lamellar-to-hexagonal (L(alpha)-H(II)) phase transition is not monotonous. It shifts the transition toward the low temperatures between 0 and 30 mol % cholesterol but shifts it toward the high temperatures when cholesterol content is higher than 30 mol %. The change in conformational order of the lipid acyl chains, as probed by the shift of the symmetric methylene C-H stretching, shows concerted variations. Finally, we show that cholesterol maintains its chain ordering effect in the hexagonal phase. PMID:9533701

Nqrs Data for H4I3Li2NO9 [H4INO3·2(ILiO3)] (Subst. No. 2278)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for H4I3Li2NO9 [H4INO3·2(ILiO3)] (Subst. No. 2278)

Nqrs Data for H6I3InO12 [I3InO9·3(H2O)] (Subst. No. 2289)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for H6I3InO12 [I3InO9·3(H2O)] (Subst. No. 2289)

Detection of poly(ethylene glycol) residues from nonionic surfactants in surface water by1h and13c nuclear magnetic resonance spectrometry

USGS Publications Warehouse

Leenheer, J.A.; Wershaw, R. L.; Brown, P.A.; Noyes, T.I.

1991-01-01

??? Poly(ethylene glycol) (PEG) residues were detected in organic solute isolates from surface water by 1H nuclear magnetic resonance spectrometry (NMR), 13C NMR spectrometry, and colorimetric assay. PEG residues were separated from natural organic solutes in Clear Creek, CO, by a combination of methylation and chromatographic procedures. The isolated PEG residues, characterized by NMR spectrometry, were found to consist of neutral and acidic residues that also contained poly(propylene glycol) moieties. The 1H NMR and the colorimetric assays for poly(ethylene glycol) residues were done on samples collected in the lower Mississippi River and tributaries between St. Louis, MO, and New Orleans, LA, in July-August and November-December 1987. Aqueous concentrations for poly(ethylene glycol) residues based on colorimetric assay ranged from undetectable to ???28 ??g/L. Concentrations based on 1H NMR spectrometry ranged from undetectable to 145 ??g/L.

Thermoelectric performance of co-doped SnTe with resonant levels

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

Zhou, Min; Han, Yemao; Li, Laifeng, E-mail: laifengli@mail.ipc.ac.cn, E-mail: wangheng83@gmail.com

2016-07-25

Some group III elements such as Indium are known to produce the resonant impurity states in IV-VI compounds. The discovery of these impurity states has opened up new ways for engineering the thermoelectric properties of IV-VI compounds. In this work, resonant states in SnTe were studied by co-doping with both resonant (In) and extrinsic (Ag, I) dopants. A characteristic nonlinear relationship was observed between the Hall carrier concentration (n{sub H}) and extrinsic dopant concentration (N{sub I}, N{sub Ag}) in the stabilization region, where a linear increase of dopant concentration does not lead to linear response in the measured n{sub H}.more » Upon substituting extrinsic dopants beyond a certain amount, the n{sub H} changed proportionally with additional dopants (Ag, I) (the doping region). The Seebeck coefficients are enhanced as the resonant impurity is introduced, whereas the use of extrinsic doping only induces minor changes. Modest zT enhancements are observed at lower temperatures, which lead to an increase in the average zT values over a broad range of temperatures (300–773 K). The improved average zT obtained through co-doping indicates the promise of fine carrier density control in maximizing the favorable effect of resonant levels for thermoelectric materials.« less

Development of Selective Excitation Methods in Nuclear Magnetic Resonance: Investigation of Hemoglobin Oxygenation in Erythrocytes Using Proton and Phosphorus -31 Nuclear Magnetic Resonance

NASA Astrophysics Data System (ADS)

Fetler, Bayard Keith

1993-01-01

Nuclear magnetic resonance (NMR) offers a potential method for making measurements of the percent oxygenation of hemoglobin (Hb) in living tissue non-invasively. As a demonstration of the feasibility of such measurements, we measured the percent oxygenation of Hb in red blood cells (erythrocytes) using resonances in the proton-NMR (^1H-NMR) spectrum which are characteristic of oxyhemoglobin (oxy-Hb) and deoxyhemoglobin (deoxy-Hb), and are due to the unique magnetic properties of these molecules. To perform these measurements, we developed a new NMR method of selectively exciting signals in a region of interest with uniform phase and amplitude, while suppressing the signal of the water resonance. With this method, we are able to make exact calculations distinguishing between uniform phase excitation produced at large flip-angles using the non-linear properties of the Bloch equations, and uniform phase excitation produced at small flip-angles using asymmetric pulse excitation functions. We measured the percent oxygenation of three characteristic ^1H-NMR resonances of Hb: two from deoxy-Hb, originating from the N_delta H protons of histidine residue F8, which occur at different frequencies for the alpha and beta chains of Hb; and one from oxy-Hb, originating from the gamma_2 -CH_3 protons of valine residue E11. We performed experiments both on fresh erythrocytes and on erythrocytes depleted of 2,3-diphosphoglycerate (2,3-DPG), and found that oxygen is more tightly bound to Hb in the former case. In both fresh and 2,3-DPG-depleted samples, we found that: (i) from the deoxy-Hb marker resonances, there is a small but significant difference in the oxygen saturation between the alpha and beta chains; (ii) the decrease in the areas of the deoxy-Hb marker resonances correlates well with the increase in the percent oxygenation of Hb as measured optically; (iii) the area of the oxy-Hb marker resonance may be up to ~15% less than the optically measured Hb saturation. We are

Imaging Intelligence with Proton Magnetic Resonance Spectroscopy

ERIC Educational Resources Information Center

Jung, Rex E.; Gasparovic, Charles; Chavez, Robert S.; Caprihan, Arvind; Barrow, Ranee; Yeo, Ronald A.

2009-01-01

Proton magnetic resonance spectroscopy ([to the first power]H-MRS) is a technique for the assay of brain neurochemistry "in vivo." N-acetylaspartate (NAA), the most prominent metabolite visible within the [to the first power]H-MRS spectrum, is found primarily within neurons. The current study was designed to further elucidate NAA-cognition…

Hepatic fat and adenosine triphosphate measurement in overweight and obese adults using 1H and 31P magnetic resonance spectroscopy

PubMed Central

Solga, Steven F.; Horska, Alena; Hemker, Susanne; Crawford, Stephen; Diggs, Charalett; Diehl, Anna Mae; Brancati, Frederick L.; Clark, Jeanne M.

2009-01-01

Background/Aims Magnetic resonance spectroscopy (MRS) measures hepatic fat and adenosine triphosphate (ATP), but magnetic resonance studies are challenging in obese subjects. We aimed to evaluate the inter- and intrarater reliability and stability of hepatic fat and ATP measurements in a cohort of overweight and obese adults. Methods We measured hepatic fat and ATP using proton MRS (1H MRS) and phosphorus MRS (31P MRS) at baseline in adults enrolled in the Action for Health in Diabetes (Look AHEAD) clinical trial at one site. Using logistic regression, we determined factors associated with successful MRS data acquisition. We calculated the intra- and inter-rater reliability for hepatic fat and ATP based on 20 scans analysed twice by two readers. We also calculated the stability of these measures three times on five healthy volunteers. Results Of 244 participants recruited into our ancillary study, 185 agreed to MRS. We obtained usable hepatic fat data from 151 (82%) and ATP data from 105 (58%). Obesity was the strongest predictor of failed data acquisition; every unit increase in the body mass index reduced the likelihood of successful fat data by 11% and ATP data by 14%. The inter- and intrarater reliability were excellent for fat (intraclass correlation coefficient = 0.99), but substantially more variable for ATP. Fat measures appeared relatively stable, but this was less true for ATP. Conclusions Obesity can hinder 1H and 31P MRS data acquisition and subsequent analysis. This impact was greater for hepatic ATP than hepatic fat. PMID:18331237

Geometric phase effects in the ultracold H + H 2 reaction

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

Kendrick, Brian Kent; Hazra, Jisha; Balakrishnan, N.

2016-10-27

The H 3 system has served as a prototype for geometric phase (GP) effects in bimolecular chemical reactions for over three decades. Despite a large number of theoretical and experimental efforts, no conclusive evidence of GP effects in the integral cross section or reaction rate has been presented until recently. Here we report a more detailed account of GP effects in the H + H 2(v = 4, j = 0) → H + H 2(v', j') (para-para) reaction rate coefficients for temperatures between 1 μK (8.6 × 10 –11 eV) and 100 K (8.6 × 10 –3 eV). Themore » GP effect is found to persist in both vibrationally resolved and total rate coefficients for collision energies up to about 10 K. The GP effect also appears in rotationally resolved differential cross sections leading to a very different oscillatory structure in both energy and scattering angle. It is shown to suppress a prominent shape resonance near 1 K and enhance a shape resonance near 8 K, providing new experimentally verifiable signatures of the GP effect in the fundamental hydrogen exchange reaction. As a result, the GP effect in the D + D 2 and T + T 2 reactions is also examined in the ultracold limit and its sensitivity to the potential energy surface is explored.« less

The composition of Saturn's atmosphere at northern temperate latitudes from Voyager IRIS spectra - NH3, PH3, C2H2, C2H6, CH3D, CH4, and the Saturnian D/H isotopic ratio

NASA Technical Reports Server (NTRS)

Courtin, R.; Gautier, D.; Marten, A.; Bezard, B.; Hanel, R.

1984-01-01

The vertical distributions and mixing ratios of minor constituents in the northern hemisphere of Saturn are investigated. Results are obtained for NH3, PH3, C2H2, C2H6, CH3D, and CH4; the D/H ratio is obtained from the CH4 and CH3D abundances. The NH3 mixing ratio in the upper atmosphere is found to be compatible with the saturated partial pressure. The inferred PH3/H2 ratio of 1.4 + or - 0.8 x 10 to the -6th is higher than the value derived from the solar P/H ratio. The stratospheric C2H2/H2 and C2H6/H2 ratios are, respectively, 2.1 + or - 1.4 x 10 to the -7th and 3.0 + or - 1.1 x 10 to the -6th; the latter decreases sharply below the 20-50 mbar level. The results for CH3D/H2 and CH4/H2 imply an enrichment of Saturn's upper atmosphere in carbon by a factor of at least three over the solar abundance. The interpretation of two NH3 lines in the five-micron window suggests a NH3/H2 ratio at the two bar level below the solar value.

Projections of type 1 and type 2 diabetes burden in the U.S. population aged <20 years through 2050: dynamic modeling of incidence, mortality, and population growth.

PubMed

Imperatore, Giuseppina; Boyle, James P; Thompson, Theodore J; Case, Doug; Dabelea, Dana; Hamman, Richard F; Lawrence, Jean M; Liese, Angela D; Liu, Lenna L; Mayer-Davis, Elizabeth J; Rodriguez, Beatriz L; Standiford, Debra

2012-12-01

To forecast the number of U.S. individuals aged <20 years with type 1 diabetes mellitus (T1DM) or type 2 diabetes mellitus (T2DM) through 2050, accounting for changing demography and diabetes incidence. We used Markov modeling framework to generate yearly forecasts of the number of individuals in each of three states (diabetes, no diabetes, and death). We used 2001 prevalence and 2002 incidence of T1DM and T2DM from the SEARCH for Diabetes in Youth study and U.S. Census Bureau population demographic projections. Two scenarios were considered for T1DM and T2DM incidence: 1) constant incidence over time; 2) for T1DM yearly percentage increases of 3.5, 2.2, 1.8, and 2.1% by age-groups 0-4 years, 5-9 years, 10-14 years, and 15-19 years, respectively, and for T2DM a yearly 2.3% increase across all ages. Under scenario 1, the projected number of youth with T1DM rises from 166,018 to 203,382 and with T2DM from 20,203 to 30,111, respectively, in 2010 and 2050. Under scenario 2, the number of youth with T1DM nearly triples from 179,388 in 2010 to 587,488 in 2050 (prevalence 2.13/1,000 and 5.20/1,000 [+144% increase]), with the greatest increase in youth of minority racial/ethnic groups. The number of youth with T2DM almost quadruples from 22,820 in 2010 to 84,131 in 2050; prevalence increases from 0.27/1,000 to 0.75/1,000 (+178% increase). A linear increase in diabetes incidence could result in a substantial increase in the number of youth with T1DM and T2DM over the next 40 years, especially those of minority race/ethnicity.

Amino acid metabolic processes in the temporal lobes assessed by proton magnetic resonance spectroscopy (1H MRS) in children with Down syndrome.

PubMed

Śmigielska-Kuzia, Joanna; Boćkowski, Leszek; Sobaniec, Wojciech; Kułak, Wojciech; Sendrowski, Krzysztof

2010-01-01

Down syndrome (DS), or trisomy 21, is one of the most common autosomal mutations. The overexpression of the β-amyloid precursor protein gene, located on chromosome 21, causes an increased production of the specific amyloid. The current study is a continuation of our earlier investigations relating to the profile of metabolic changes in the frontal lobes of DS patients as assessed by proton magnetic resonance spectroscopy ((1)H MRS). The aims of the study were the morphological assessment of the brain using magnetic resonance imaging (MRI) and the evaluation of metabolic disorders of the temporal lobes using (1)H MRS in DS children. The study group included 20 children with DS aged 3-15 years and treated in the Department of Pediatric Neurology and Rehabilitation, Medical University of Białystok. The control group included healthy children (n = 20). MRI scans of the heads of DS children were performed using a 1.5 T MR scanner under standard conditions. (1)H MRS investigations were also carried out to assess metabolic changes in the temporal lobes. Metabolites, such as N-acetylaspartate (NAA), glutamate-glutamine complex (Glx), choline (Cho), myoinositol (mI) and γ-aminobutyric acid (GABA), were determined in both temporal lobes with reference to the internal marker creatine (Cr). Results were compared with the control group.We found a statistically significant decrease in NAA/Cr, Cho/Cr, mI/Cr and GABA/Cr ratios. The Glx/Cr ratio in both temporal lobes of DS patients did not differ from the control group. Our results indicate metabolic neurotransmitter disorders in the central nervous system in children with DS.

The Resonance of the Surface Waves. The H/V Ratio in the Metropolitan Area of Bucharest

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

Balan, Stefan F.; Cioflan, Carmen O.; Apostol, Bogdan F.

2008-07-08

The purpose of this work is to evaluate the natural period of oscillation T{sub 0} for soils in Bucharest city area. We will start by examine the elastic waves excited at the surface of an isotropic body by an oscillatory, localized force (Rayleigh waves). We define the 'H/V'-ratio as the ratio of the intensity of the in-plane waves (horizontal waves) to the intensity of the perpendicular-to-the-plane waves (vertical waves). It is shown that this ratio exhibits a resonance at a frequency which is close to the frequency of the transverse waves. It may serve to determine Poison's ratio of themore » body. We consider the ratio H/V of the horizontal to the vertical component of the Fourier spectrum for the seismic events recorded at 34 locations during the period October 2003 to August 2004. The method gives reliable data regarding the fundamental frequencies for soil deposits and the results of this experiment allows us to improve the known distribution of T{sub 0}--regularly calculated with the approximate formula T = 4h/v{sub s}. The earthquakes with M{sub w}>4 that occurred on 21.01.2004, 07.02.2004, 17.03.2004 and 04.04.2004 will be used as input to compute H/V ratios for each site of a URS stations in the area of Bucharest city. The H/V ratio is also calculated from noise recordings in the same areas. Computation of H/V spectral ratios are performed by means of the SeismicHandler and J-SESAME software showing the reliability of the method used for the sites located in Bucharest. The fundamental period obtained for the majority of sites is in accordance with already known results. By obtaining the fundamental period for much more and different spots situated in the Bucharest area we covered the zones where these data did not exist before. This study is significant in seismic risk mitigation for the Bucharest city area, for a safer seismic design and for the improvement of microzonation efforts.« less

Fiber optic surface plasmon resonance sensor for detection of E. coli O157:H7 based on antimicrobial peptides and AgNPs-rGO.

PubMed

Zhou, Chen; Zou, Haimin; Li, Ming; Sun, Chengjun; Ren, Dongxia; Li, Yongxin

2018-06-05

A fiber optic surface plasmon resonance (FOSPR) sensor was developed for detection of Escherichia coli O157:H7 (E. coli O157:H7) in water and juice, based on antimicrobial peptides (AMP), Magainin I, as recognition elements and silver nanoparticles-reduced graphene oxide (AgNPs-rGO) nanocomposites assisted signal amplification. The uniform AgNPs-rGO was fixed on the surface of optical fiber and covered with gold film. Not only was the SPR response greatly enhanced, but also the AgNPs was prevented from being oxidized. The FOSPR showed a sensitivity of about 1.5 times higher than that fabricated only with gold film. In the assay, Magainin I, immobilized on the surface of gold film, could specifically capture E. coli O157:H7, resulting in the wavelength shift of the SPR absorption peak. Under the optimized conditions, the SPR resonance wavelength exhibited a good linear relationship with natural logarithm of the target bacteria concentration in the range of 1.0 × 10 3 to 5.0 × 10 7 cfu/mL with the detection limit of 5.0 × 10 2 cfu/mL (S/N = 3). The FOSPR sensor showed good specificity for E. coli O157:H7 detection compared to other bacteria similar to the target bacterial species. Furthermore, the FOSPR sensor was successfully applied to the detection of E. coli O157:H7 in water, fruit and vegetable juice with the satisfactory recoveries of 88-110%. This assay for E. coli O157:H7 detection possesses high sensitivity, good selectivity, reproducibility and stability. In addition, the AMP based SPR biosensing methodology could be extended to detect a wide variety of foodborne pathogens. Therefore, the versatile method might become a potential alternative tool in food analysis and early clinical diagnosis. Copyright © 2018 Elsevier B.V. All rights reserved.

Modeling sickle cell vasoocclusion in the rat leg: quantification of trapped sickle cells and correlation with 31P metabolic and 1H magnetic resonance imaging changes.

PubMed Central

Fabry, M E; Rajanayagam, V; Fine, E; Holland, S; Gore, J C; Nagel, R L; Kaul, D K

1989-01-01

We have developed an animal model to elucidate the acute effects of perfusion abnormalities on muscle metabolism induced by different density-defined classes of erythrocytes isolated from sickle cell anemia patients. Technetium-99m (99mTc)-labeled, saline-washed normal (AA), homozygous sickle (SS), or high-density SS (SS4) erythrocytes were injected into the femoral artery of the rat and quantitative 99mTc imaging, 31P magnetic resonance spectroscopy by surface coil at 2 teslas, and 1H magnetic resonance imaging at 0.15 tesla were performed. Between 5 and 25 microliters of SS4 cells was trapped in the microcirculation of the thigh (or 1-6 x 10(7) cells per cubic centimeter of tissue). In contrast, fewer SS discocytes (SS2) or AA cells were trapped (an equivalent packed cell volume of less than 6.7 microliters and 0.3 microliters, respectively). After injection of SS4 cells an initial increase in inorganic phosphate was observed in the region of the thigh served by the femoral artery, intracellular pH decreased, and subsequently the proton relaxation time T1 reached a broad maximum at 18-28 hr. When T1 obtained at this time was plotted against the volume of cells trapped, an increase of T1 over the control value of 411 +/- 48 msec was found that was proportional to the number of cells trapped. We conclude that the densest SS cells are most effective at producing vasoocclusion. The extent of the change detected by 1H magnetic resonance imaging is dependent on the amount of cells trapped in the microcirculation and the magnitude of the initial increase of inorganic phosphate. Images PMID:2726752

Two-dimensional sup 1 H nuclear magnetic resonance study of AaH IT, an anti-insect toxin from the scorpion Androctonus australis Hector. Sequential resonance assignments and folding of the polypeptide chain

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

Darbon, H.; Weber, C.; Braun, W.

1991-02-19

Sequence-specific nuclear magnetic resonance assignments for the polypeptide backbone and for most of the amino acid side-chain protons, as well as the general folding of AaH IT, are described. AaH IT is a neurotoxin purified from the venom of the scorpion Androctonus australis Hector and is specifically active on the insect nervous system. The secondary structure and the hydrogen-bonding patterns in the regular secondary structure elements are deduced from nuclear Overhauser effects and the sequence locations of the slowly exchanging amide protons. The backbone folding is determined by distance geometry calculations with the DISMAN program. The regular secondary structure includesmore » two and a half turns of {alpha}-helix running from residues 21 to 30 and a three-stranded antiparallel {beta}-sheet including peptides 3-5, 34-38, and 41-46. Two tight turns are present, one connecting the end of the {alpha}-helix to an external strand of the {beta}-sheet, i.e., turn 31-34, and another connecting this same strand to the central one, i.e., turn 38-41. The differences in the specificity of these related proteins, which are able to discriminate between mammalian and insect voltage-dependent sodium channels of excitable tissues, are most probably brought about by the position of the C-terminal peptide with regard to a hydrophobic surface common to all scorpion toxins examined thus far. Thus, the interaction of a given scorpion toxin with its receptor might well be governed by the presence of this solvent-exposed hydrophobic surface, whereas adjacent areas modulate the specificity of the interaction.« less

Impact of Annealing Prior to Solution Treatment on Aging Precipitates and Intergranular Corrosion Behavior of Al-Cu-Li Alloy 2050

NASA Astrophysics Data System (ADS)

Ye, Zhi-hao; Cai, Wen-xin; Li, Jin-feng; Chen, Xiang-rong; Zhang, Rui-feng; Birbilis, Nick; Chen, Yong-lai; Zhang, Xu-hu; Ma, Peng-cheng; Zheng, Zi-qiao

2018-06-01

The influences of annealing prior to solution treatment on the grain structure, subsequent aging precipitates, and intergranular corrosion (IGC) of Al-Cu-Li alloy (AA2050) sheet with T6 aging at 448 K (175 °C) were investigated. Annealing impedes the full recrystallization during solution treatment, increasing the population density of T1 (Al2CuLi) precipitates, but decreasing that of θ' (Al2Cu) precipitates, of the aged alloy. Meanwhile, annealing leads to the heterogeneous distribution of T1 precipitates, increasing the alloy hardness, and decreasing the open-circuit potential of the aged alloy. With prolonged aging time, the corrosion mode of the aged AA2050 samples with and without annealing evolved in a similar manner. The corrosion mode as a function of aging may be summarized as local IGC with pitting and general IGC with pitting (following initial aging and under the underaged condition), pitting corrosion (later in the under-aging stage), pitting with slight IGC (near the peak-aged condition), and pitting with local IGC (under the overaging condition). The annealing treatment hinders IGC propagation on the rolling surface while accelerating the IGC on transverse surfaces.

Impact of Annealing Prior to Solution Treatment on Aging Precipitates and Intergranular Corrosion Behavior of Al-Cu-Li Alloy 2050

NASA Astrophysics Data System (ADS)

Ye, Zhi-hao; Cai, Wen-xin; Li, Jin-feng; Chen, Xiang-rong; Zhang, Rui-feng; Birbilis, Nick; Chen, Yong-lai; Zhang, Xu-hu; Ma, Peng-cheng; Zheng, Zi-qiao

2018-04-01

The influences of annealing prior to solution treatment on the grain structure, subsequent aging precipitates, and intergranular corrosion (IGC) of Al-Cu-Li alloy (AA2050) sheet with T6 aging at 448 K (175 °C) were investigated. Annealing impedes the full recrystallization during solution treatment, increasing the population density of T1 (Al2CuLi) precipitates, but decreasing that of θ' (Al2Cu) precipitates, of the aged alloy. Meanwhile, annealing leads to the heterogeneous distribution of T1 precipitates, increasing the alloy hardness, and decreasing the open-circuit potential of the aged alloy. With prolonged aging time, the corrosion mode of the aged AA2050 samples with and without annealing evolved in a similar manner. The corrosion mode as a function of aging may be summarized as local IGC with pitting and general IGC with pitting (following initial aging and under the underaged condition), pitting corrosion (later in the under-aging stage), pitting with slight IGC (near the peak-aged condition), and pitting with local IGC (under the overaging condition). The annealing treatment hinders IGC propagation on the rolling surface while accelerating the IGC on transverse surfaces.

Nanoimaging of resonating hyperbolic polaritons in linear boron nitride antennas

PubMed Central

Alfaro-Mozaz, F. J.; Alonso-González, P.; Vélez, S.; Dolado, I.; Autore, M.; Mastel, S.; Casanova, F.; Hueso, L. E.; Li, P.; Nikitin, A. Y.; Hillenbrand, R.

2017-01-01

Polaritons in layered materials—including van der Waals materials—exhibit hyperbolic dispersion and strong field confinement, which makes them highly attractive for applications including optical nanofocusing, sensing and control of spontaneous emission. Here we report a near-field study of polaritonic Fabry–Perot resonances in linear antennas made of a hyperbolic material. Specifically, we study hyperbolic phonon–polaritons in rectangular waveguide antennas made of hexagonal boron nitride (h-BN, a prototypical van der Waals crystal). Infrared nanospectroscopy and nanoimaging experiments reveal sharp resonances with large quality factors around 100, exhibiting atypical modal near-field patterns that have no analogue in conventional linear antennas. By performing a detailed mode analysis, we can assign the antenna resonances to a single waveguide mode originating from the hybridization of hyperbolic surface phonon–polaritons (Dyakonov polaritons) that propagate along the edges of the h-BN waveguide. Our work establishes the basis for the understanding and design of linear waveguides, resonators, sensors and metasurface elements based on hyperbolic materials and metamaterials. PMID:28589941

Rapid Detection of Escherichia coli O157:H7 in Fresh Lettuce Based on Localized Surface Plasmon Resonance Combined with Immunomagnetic Separation.

PubMed

Lee, Nari; Choi, Sung-Wook; Chang, Hyun-Joo; Chun, Hyang Sook

2018-05-01

This study presents a method for rapid detection of Escherichia coli O157:H7 in fresh lettuce based on the properties of target separation and localized surface plasmon resonance of immunomagnetic nanoparticles. The multifunctional immunomagnetic nanoparticles enabling simultaneous separation and detection were prepared by synthesizing magnetic nanoparticles (ca. 10 nm in diameter) composed of an iron oxide (Fe 3 O 4 ) core and gold shell and then conjugating these nanoparticles with the anti- E. coli O157:H7 antibodies. The application of multifunctional immunomagnetic nanoparticles for detecting E. coli O157:H7 in a lettuce matrix allowed detection of the presence of <1 log CFU mL -1 without prior enrichment. In contrast, the detection limit of the conventional plating method was 2.74 log CFU mL -1 . The method, which requires no preenrichment, provides an alternative to conventional microbiological detection methods and can be used as a rapid screening tool for a large number of food samples.

Ferromagnetic linewidth measurements employing electrodynamic model of the magnetic plasmon resonance

NASA Astrophysics Data System (ADS)

Krupka, Jerzy; Aleshkevych, Pavlo; Salski, Bartlomiej; Kopyt, Pawel

2018-02-01

The mode of uniform precession, or Kittel mode, in a magnetized ferromagnetic sphere, has recently been proven to be the magnetic plasmon resonance. In this paper we show how to apply the electrodynamic model of the magnetic plasmon resonance for accurate measurements of the ferromagnetic resonance linewidth ΔH. Two measurement methods are presented. The first one employs Q-factor measurements of the magnetic plasmon resonance coupled to the resonance of an empty metallic cavity. Such coupled modes are known as magnon-polariton modes, i.e. hybridized modes between the collective spin excitation and the cavity excitation. The second one employs direct Q-factor measurements of the magnetic plasmon resonance in a filter setup with two orthogonal semi-loops used for coupling. Q-factor measurements are performed employing a vector network analyser. The methods presented in this paper allow one to extend the measurement range of the ferromagnetic resonance linewidth ΔH well beyond the limits of the commonly used measurement standards in terms of the size of the samples and the lowest measurable linewidths. Samples that can be measured with the newly proposed methods may have larger size as compared to the size of samples that were used in the standard methods restricted by the limits of perturbation theory.

pH optimization for a reliable quantification of brain tumor cell and tissue extracts with (1)H NMR: focus on choline-containing compounds and taurine.

PubMed

Robert, O; Sabatier, J; Desoubzdanne, D; Lalande, J; Balayssac, S; Gilard, V; Martino, R; Malet-Martino, M

2011-01-01

The aim of this study was to define the optimal pH for (1)H nuclear magnetic resonance (NMR) spectroscopy analysis of perchloric acid or methanol-chloroform-water extracts from brain tumor cells and tissues. The systematic study of the proton chemical shift variations as a function of pH of 13 brain metabolites in model solutions demonstrated that recording (1)H NMR spectra at pH 10 allowed resolving resonances that are overlapped at pH 7, especially in the 3.2-3.3 ppm choline-containing-compounds region. (1)H NMR analysis of extracts at pH 7 or 10 showed that quantitative measurements of lactate, alanine, glutamate, glutamine (Gln), creatine + phosphocreatine and myo-inositol (m-Ino) can be readily performed at both pHs. The concentrations of glycerophosphocholine, phosphocholine and choline that are crucial metabolites for tumor brain malignancy grading were accurately measured at pH 10 only. Indeed, the resonances of their trimethylammonium moieties are cleared of any overlapping signal, especially those of taurine (Tau) and phosphoethanolamine. The four non-ionizable Tau protons resonating as a singlet in a non-congested spectral region permits an easier and more accurate quantitation of this apoptosis marker at pH 10 than at pH 7 where the triplet at 3.43 ppm can be overlapped with the signals of glucose or have an intensity too low to be measured. Glycine concentration was determined indirectly at both pHs after subtracting the contribution of the overlapped signals of m-Ino at pH 7 or Gln at pH 10.

Effect of the heterogeneous neuron and information transmission delay on stochastic resonance of neuronal networks

NASA Astrophysics Data System (ADS)

Wang, Qingyun; Zhang, Honghui; Chen, Guanrong

2012-12-01

We study the effect of heterogeneous neuron and information transmission delay on stochastic resonance of scale-free neuronal networks. For this purpose, we introduce the heterogeneity to the specified neuron with the highest degree. It is shown that in the absence of delay, an intermediate noise level can optimally assist spike firings of collective neurons so as to achieve stochastic resonance on scale-free neuronal networks for small and intermediate αh, which plays a heterogeneous role. Maxima of stochastic resonance measure are enhanced as αh increases, which implies that the heterogeneity can improve stochastic resonance. However, as αh is beyond a certain large value, no obvious stochastic resonance can be observed. If the information transmission delay is introduced to neuronal networks, stochastic resonance is dramatically affected. In particular, the tuned information transmission delay can induce multiple stochastic resonance, which can be manifested as well-expressed maximum in the measure for stochastic resonance, appearing every multiple of one half of the subthreshold stimulus period. Furthermore, we can observe that stochastic resonance at odd multiple of one half of the subthreshold stimulus period is subharmonic, as opposed to the case of even multiple of one half of the subthreshold stimulus period. More interestingly, multiple stochastic resonance can also be improved by the suitable heterogeneous neuron. Presented results can provide good insights into the understanding of the heterogeneous neuron and information transmission delay on realistic neuronal networks.

Correlation of molecular valence- and K-shell photoionization resonances with bond lengths

NASA Technical Reports Server (NTRS)

Sheehy, J. A.; Gil, T. J.; Winstead, C. L.; Farren, R. E.; Langhoff, P. W.

1989-01-01

The relationship between the interatomic distance and the positions of valence-shell and K-shell sigma(asterisk) photoionization resonances is investigated theoretically for the molecules C2, F2, N2, O2, CO, NO, C2H2, C2H4, C2H6, HCN, H2CO, N20, CO2, and C2N2. The results of molecular-orbital computations are presented in three-dimensional diagrams, which are shown to be similar to the wave functions of a particle in a cylindrical well, confirming the validity of free-electron molecular-orbital (FEMO) approximations for modeling the potential along the symmetry axis. FEMO orbital energies and resonance positions are found to be in good agreement with previous theoretical and experimental results. Also included is a Feshbach-Fano analysis of the relevance of virtual-valence orbitals to the appearance of single-channel resonances in molecular photoionization cross sections.

Doxorubicin-conjugated β-NaYF4:Gd(3+)/Tb(3+) multifunctional, phosphor nanorods: a multi-modal, luminescent, magnetic probe for simultaneous optical and magnetic resonance imaging and an excellent pH-triggered anti-cancer drug delivery nanovehicle.

PubMed

Padhye, Preeti; Alam, Aftab; Ghorai, Suvankar; Chattopadhyay, Samit; Poddar, Pankaj

2015-12-14

Herein, we report the fabrication of a multifunctional nanoprobe based on highly monodispersed, optically and magnetically active, biocompatible, PEI-functionalized, highly crystalline β-NaYF4:Gd(3+)/Tb(3+) nanorods as an excellent multi-modal optical/magnetic imaging tool and a pH-triggered intracellular drug delivery nanovehicle. The static and dynamic photoluminescence spectroscopy showed the presence of sharp emission peaks, with long lifetimes (∼3.5 milliseconds), suitable for optical imaging. The static magnetic susceptibility measurements at room temperature showed a strong paramagnetic signal (χ∼ 3.8 × 10(-5) emu g(-1) Oe(-1)). The nuclear magnetic resonance (NMR) measurements showed fair T1 relaxivity (r1 = 1.14 s(-1) mM(-1)) and magnetic resonance imaging gave enhanced T1-weighted MRI images with increased concentrations of β-NaYF4:Gd(3+)/Tb(3+) making them suitable for simultaneous magnetic resonance imaging. In addition, an anticancer drug, doxorubicin (DOX) was conjugated to the amine-functionalized β-NaYF4:Gd(3+)/Tb(3+) nanorods via pH-sensitive hydrazone bond linkages enabling them as a pH-triggered, site-specific drug delivery nanovehicle for DOX release inside tumor cells. A comparison between in vitro DOX release studies undertaken in normal physiological (pH 7.4) and acidic (pH 5.0) environments showed an enhanced DOX dissociation (∼80%) at pH 5.0. The multifunctional material was also applied as an optical probe to confirm the conjugation of DOX and to monitor DOX release via a fluorescence resonance energy transfer (FRET) mechanism. The DOX-conjugated β-NaYF4:Gd(3+)/Tb(3+) nanorods exhibited a cytotoxic effect on MCF-7 breast cancer cells and their uptake by MCF-7 cells was demonstrated using confocal laser scanning microscopy and flow cytometry. The comparative cellular uptakes of free DOX and DOX-conjugated β-NaYF4:Gd(3+)/Tb(3+) nanorods were studied in tumor microenvironment conditions (pH 6.5) using confocal imaging, which

Carbonic Anhydrase Activity Monitored In Vivo by Hyperpolarized 13C-Magnetic Resonance Spectroscopy Demonstrates Its Importance for pH Regulation in Tumors.

PubMed

Gallagher, Ferdia A; Sladen, Helen; Kettunen, Mikko I; Serrao, Eva M; Rodrigues, Tiago B; Wright, Alan; Gill, Andrew B; McGuire, Sarah; Booth, Thomas C; Boren, Joan; McIntyre, Alan; Miller, Jodi L; Lee, Shen-Han; Honess, Davina; Day, Sam E; Hu, De-En; Howat, William J; Harris, Adrian L; Brindle, Kevin M

2015-10-01

Carbonic anhydrase buffers tissue pH by catalyzing the rapid interconversion of carbon dioxide (CO2) and bicarbonate (HCO3 (-)). We assessed the functional activity of CAIX in two colorectal tumor models, expressing different levels of the enzyme, by measuring the rate of exchange of hyperpolarized (13)C label between bicarbonate (H(13)CO3(-)) and carbon dioxide ((13)CO2), following injection of hyperpolarized H(13)CO3(-), using (13)C-magnetic resonance spectroscopy ((13)C-MRS) magnetization transfer measurements. (31)P-MRS measurements of the chemical shift of the pH probe, 3-aminopropylphosphonate, and (13)C-MRS measurements of the H(13)CO3(-)/(13)CO2 peak intensity ratio showed that CAIX overexpression lowered extracellular pH in these tumors. However, the (13)C measurements overestimated pH due to incomplete equilibration of the hyperpolarized (13)C label between the H(13)CO3(-) and (13)CO2 pools. Paradoxically, tumors overexpressing CAIX showed lower enzyme activity using magnetization transfer measurements, which can be explained by the more acidic extracellular pH in these tumors and the decreased activity of the enzyme at low pH. This explanation was confirmed by administration of bicarbonate in the drinking water, which elevated tumor extracellular pH and restored enzyme activity to control levels. These results suggest that CAIX expression is increased in hypoxia to compensate for the decrease in its activity produced by a low extracellular pH and supports the hypothesis that a major function of CAIX is to lower the extracellular pH. ©2015 American Association for Cancer Research.

Anterior cingulate cortex and cerebellar hemisphere neurometabolite changes in depression treatment: A 1H magnetic resonance spectroscopy study.

PubMed

Chen, Li-Ping; Dai, Hai-Yang; Dai, Zhuo-Zhi; Xu, Chong-Tao; Wu, Ren-Hua

2014-05-01

We utilized single-voxel 1H magnetic resonance spectroscopy to determine biochemical abnormalities related to major depressive disorder (MDD) in the bilateral dorsolateral prefrontal cortex, anterior cingulate cortex (ACC), and cerebellar hemisphere before and after antidepressant treatment. Fifteen adult MDD patients and 15 age- and sex-matched healthy controls were involved. Magnetic resonance spectroscopy of the brain was conducted in all subjects at the beginning of the study and the depressed subjects were reassessed after 8 weeks of antidepressant treatment. At baseline, N-acetyl aspartate (NAA), total glutamine plus glutamate (Glx) and myo-inositol (MI) levels in the bilateral ACC were significantly lower in MDD patients than in controls (P < 0.05/3). MI in the bilateral cerebellar hemisphere were also decreased in patients compared with controls. After the treatment, the lower NAA, Glx and MI in ACC were normalized in MDD patients and the NAA and Glx increased compared to baseline values. The MI levels in the bilateral cerebellar hemisphere were also normalized in patients. MI and choline levels in the right cerebellar hemisphere were elevated compared to those at baseline. Our study suggests that metabolic abnormalities in the ACC and cerebellar hemisphere are implicated in MDD. Antidepressants may alter the local metabolic abnormalities in these areas. © 2014 The Authors. Psychiatry and Clinical Neurosciences © 2014 Japanese Society of Psychiatry and Neurology.

Nanotheranostics: Congo Red/Rutin-MNPs with Enhanced Magnetic Resonance Imaging and H2O2-Responsive Therapy of Alzheimer's Disease in APPswe/PS1dE9 Transgenic Mice.

PubMed

Hu, Bingbing; Dai, Fengying; Fan, Zhanming; Ma, Guanghui; Tang, Qunwei; Zhang, Xin

2015-10-07

As nanotheranostics, Congo red/Rutin-MNPs combine the abilities of diagnosis and treatment of Alzheimer's disease (AD). The biocompatible nanotheranostics system based on iron oxide magnetic nanoparticles, with ultrasmall size and excellent magnetic properties, can specifically detect amyloid plaques by magnetic resonance imaging, realize targeted delivery of AD therapeutic agents, achieve drug controlled release by H2O2 response, and prevent oxidative stress. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The creation of future daily gridded datasets of precipitation and temperature with a spatial weather generator, Cyprus 2020-2050

NASA Astrophysics Data System (ADS)

Camera, Corrado; Bruggeman, Adriana; Hadjinicolaou, Panos; Pashiardis, Stelios; Lange, Manfred

2014-05-01

created with the identified best interpolation methods. The difference between the input and simulated mean daily rainfall, averaged over all the stations, was 0.03 mm (2.2%), while the error related to the number of dry days was 2 (0.6%). For mean daily minimum temperature the error was 0.005 ºC (0.04%), while for maximum temperature it was 0.01 ºC (0.04%). Overall, the weather generators were found to be reliable instruments for the downscaling of precipitation and temperature. The resulting datasets indicate a decrease of the mean annual rainfall over the study area between 5 and 70 mm (1-15%) for 2020-2050, relative to 1980-2010. Average annual minimum and maximum temperature over the Republic of Cyprus are projected to increase between 1.2 and 1.5 ºC. The dataset is currently used to compute agricultural production and water use indicators, as part of the AGWATER project (AEIFORIA/GEORGO/0311(BIE)/06), co-financed by the European Regional Development Fund and the Republic of Cyprus through the Research Promotion Foundation. Burton, A., Kilsby, C.G., Fowler, H.J., Cowpertwait, P.S.P., and O'Connell, P.E.: RainSim: A spatial-temporal stochastic rainfall modelling system. Environ. Model. Software 23, 1356-1369, 2008 Richardson, C.W.: Stochastic simulation of daily precipitation, temperature, and solar radiation. Water Resour. Res. 17, 182-190, 1981.

Ground-state properties of H 5 from the He 6 ( d , He 3 ) H 5 reaction

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

Wuosmaa, A. H.; Bedoor, S.; Brown, K. W.

2017-01-01

We have studied the ground state of the unbound, very neutron-rich isotope of hydrogen 5H, using the 6He(d,3He)5H reaction in inverse kinematics at a bombarding energy of E(6He)=55A MeV. The present results suggest a ground-state resonance energy ER=2.4±0.3 MeV above the 3H+2n threshold, with an intrinsic width of Γ=5.3±0.4 MeV in the 5H system. Both the resonance energy and width are higher than those reported in some, but not all previous studies of 5H. The previously unreported 6He(d,t)5Heg.s. reaction is observed in the same measurement, providing a check on the understanding of the response of the apparatus. The data aremore » compared to expectations from direct two-neutron and dineutron decay. The possibility of excited states of 5H populated in this reaction is discussed using different calculations of the 6He→5H+p spectroscopic overlaps from shell-model and ab initio nuclear-structure calculations.« less

Oman Vision 2050 for Health Research: A Strategic Plan for the Future Based on the Past and Present Experience

PubMed Central

Al Mawali, Adhra Hilal Nasser; Al Qasmi, Ahmed Mohamed; Al Sabahi, Sultana Mohamed Saif; Idikula, John; Elaty, Mahmoud Attia Abd; Morsi, Magdi; Al Hinai, Ali Talib

2017-01-01

Health care delivery in Oman has attained great heights since the modern renaissance in 1970. Although the health service had the main impetus all these years, the importance of health research began to take place by mid 1990’s and is now gaining momentum as an important responsibility and activity of the Ministry of Health (MoH). Although there has been progressively increasing investment and commitment to research activities in the recent Five Year Plan for Health Development, it still lags behind in the quality and quantity of research output. Lack of factors like adequate infrastructure, dedicated human resources, empowerment of existing systems, and societal support for research have adversely affected research output. Centre of Studies and Research in MoH has proposed a strategic plan, the ‘Health Vision 2050 for Health Research’ with aim of making Oman the regional leader and a research hub of world standards in health research. The mission is to promote, facilitate, and conduct high quality health research addressing national health priorities to improve health care services and enhance the efficiency and effectiveness of the health system, reduce health inequity, and contribute to socioeconomic development. The strategy includes setting health research priorities, strengthening the health research capacity, defining and implementing norms and standards, developing health research (quality and quantity), translating evidence into policy, strategy and practice, monitoring and coordinating research, financing health research, and evaluating the effectiveness of the health research system. It should generate a multifold increase in the quality and quantity of health research in Oman, positively impacting the health system and health care service. PMID:28439378

Proton magnetic resonance studies of ultraviolet-irradiated apurinic acid

PubMed Central

Rahn, Ronald O.; Schleich, Thomas

1974-01-01

In apurinic acid, a single-stranded polydeoxyribonucleotide easily obtained upon depurination of DNA, the proton resonances arising from thymine and cytosine are readily observable in aqueous solution of 25°C. Two methyl thymine resonances, centered at 1.88 ppm and separated by 0.045 ppm, are observed. We attribute the downfield methyl resonance to thymines with no pyrimidine nearest neighbors and the upfield methyl resonance to thymines having pyrimidine neighbors in the 3′ and/or 5′ positions. Upon ultraviolet irradiation, the upfield methyl and thymine H-6 resonances decrease in amplitude and two methyl resoances appear at 1.63 and 1.52 ppm, corresponding, respectively, to cytosine-thymine and thymine-thymine cyclobutane dimers. Photoreversal eliminates these two minor methyl resonances from the pmr spectrum. We conclude that apurinic acid provides a suitable model system for pmr studies of chemically modified pyrimidine bases in DNA. PMID:10793730

Weak-field H3O+ ion cyclotron resonance alters water refractive index.

PubMed

D'Emilia, E; Ledda, M; Foletti, A; Lisi, A; Giuliani, L; Grimaldi, S; Liboff, A R

2017-01-01

Heretofore only observed in living systems, we report that weak-field ion cyclotron resonance (ICR) also occurs in inanimate matter. Weak magnetic field (50 nT) hydronium ICR at the field combination (7.84 Hz, 7.5 µT) markedly changes water structure, as evidenced by finding an altered index of refraction exactly at this combined field. This observation utilizes a novel technique which measures the scattering of a He-Ne laser beam as the sample is exposed to a ramped magnetic field frequency. In addition to the hydronium resonance, we find evidence of ICR coupling to a more massive structure, possibly a tetrahedral combination of three waters and a single hydronium ion. To check our observations, we extended this technique to D 2 O, successfully predicting the specific ICR charge-to-mass ratio for D 3 O + that alters the index of refraction.

Health 2050: The Realization of Personalized Medicine through Crowdsourcing, the Quantified Self, and the Participatory Biocitizen

PubMed Central

Swan, Melanie

2012-01-01

The concepts of health and health care are moving towards the notion of personalized preventive health maintenance and away from an exclusive focus on the cure of disease. This is against the backdrop of contemporary public health challenges that include increasing costs, worsening outcomes, ‘diabesity’ epidemics, and anticipated physician shortages. Personalized preventive medicine could be critical to solving public health challenges at their causal root. This paper sets forth a vision and plan for the realization of preventive medicine by 2050 and examines efforts already underway such as participatory health initiatives, the era of big health data, and qualitative shifts in mindset. PMID:25562203

Analysis of the E2 transitions for /sup 3/H-/alpha/ cluster states of /sup 7/Li by the resonating group method

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

Xu Pu; Zhao Xuan; Zeng Fanan

1989-07-01

It is suggested that the ground state and the 1st, 2nd, and 3rd excited states of /sup 7/Li are /sup 3/H-/alpha/ cluster-structure states. Using the resonating group method (RGM), the eigenvalues and eigenfunctions of these states as well as the reduced E2 transition probabilities between these states are calculated and are consistent with the experimental values. The results show that the RGM is much better than the harmonic oscillator model used by Bernheim /ital et/ /ital al/. in predicting the E2 transition rates.

NQRS Data for H4INO3 (Subst. No. 2276)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for H4INO3 (Subst. No. 2276)

NQRS Data for H4INO4 (Subst. No. 2277)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for H4INO4 (Subst. No. 2277)

Achieving deep cuts in the carbon intensity of U.S. automobile transportation by 2050: complementary roles for electricity and biofuels.

PubMed

Scown, Corinne D; Taptich, Michael; Horvath, Arpad; McKone, Thomas E; Nazaroff, William W

2013-08-20

Passenger cars in the United States (U.S.) rely primarily on petroleum-derived fuels and contribute the majority of U.S. transportation-related greenhouse gas (GHG) emissions. Electricity and biofuels are two promising alternatives for reducing both the carbon intensity of automotive transportation and U.S. reliance on imported oil. However, as standalone solutions, the biofuels option is limited by land availability and the electricity option is limited by market adoption rates and technical challenges. This paper explores potential GHG emissions reductions attainable in the United States through 2050 with a county-level scenario analysis that combines ambitious plug-in hybrid electric vehicle (PHEV) adoption rates with scale-up of cellulosic ethanol production. With PHEVs achieving a 58% share of the passenger car fleet by 2050, phasing out most corn ethanol and limiting cellulosic ethanol feedstocks to sustainably produced crop residues and dedicated crops, we project that the United States could supply the liquid fuels needed for the automobile fleet with an average blend of 80% ethanol (by volume) and 20% gasoline. If electricity for PHEV charging could be supplied by a combination of renewables and natural-gas combined-cycle power plants, the carbon intensity of automotive transport would be 79 g CO2e per vehicle-kilometer traveled, a 71% reduction relative to 2013.

Interplay of activation kinetics and the derivative conductance determines resonance properties of neurons

NASA Astrophysics Data System (ADS)

Pena, Rodrigo F. O.; Ceballos, Cesar C.; Lima, Vinicius; Roque, Antonio C.

2018-04-01

In a neuron with hyperpolarization activated current (Ih), the correct input frequency leads to an enhancement of the output response. This behavior is known as resonance and is well described by the neuronal impedance. In a simple neuron model we derive equations for the neuron's resonance and we link its frequency and existence with the biophysical properties of Ih. For a small voltage change, the component of the ratio of current change to voltage change (d I /d V ) due to the voltage-dependent conductance change (d g /d V ) is known as derivative conductance (GhDer). We show that both GhDer and the current activation kinetics (characterized by the activation time constant τh) are mainly responsible for controlling the frequency and existence of resonance. The increment of both factors (GhDer and τh) greatly contributes to the appearance of resonance. We also demonstrate that resonance is voltage dependent due to the voltage dependence of GhDer. Our results have important implications and can be used to predict and explain resonance properties of neurons with the Ih current.

Selective excitation enables assignment of proton resonances and {sup 1}H-{sup 1}H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

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

Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu

2015-07-21

Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of {sup 1}H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as {sup 13}C or {sup 15}N. In this method, after the initial preparation of proton magnetization and cross-polarization to {sup 13}C nuclei, transverse magnetization of desired {sup 13}C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferredmore » to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific {sup 13}C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of {sup 1}H-{sup 1}H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.« less

Direct visualization of in vitro drug mobilization from Lescol XL tablets using two-dimensional (19)F and (1)H magnetic resonance imaging.

PubMed

Chen, Chen; Gladden, Lynn F; Mantle, Michael D

2014-02-03

This article reports the application of in vitro multinuclear ((19)F and (1)H) two-dimensional magnetic resonance imaging (MRI) to study both dissolution media ingress and drug egress from a commercial Lescol XL extended release tablet in a United States Pharmacopeia Type IV (USP-IV) dissolution cell under pharmacopoeial conditions. Noninvasive spatial maps of tablet swelling and dissolution, as well as the mobilization and distribution of the drug are quantified and visualized. Two-dimensional active pharmaceutical ingredient (API) mobilization and distribution maps were obtained via (19)F MRI. (19)F API maps were coregistered with (1)H T2-relaxation time maps enabling the simultaneous visualization of drug distribution and gel layer dynamics within the swollen tablet. The behavior of the MRI data is also discussed in terms of its relationship to the UV drug release behavior.

(1)H magnetic resonance spectroscopy of preinvasive and invasive cervical cancer: in vivo-ex vivo profiles and effect of tumor load.

PubMed

Mahon, Marrita M; Cox, I Jane; Dina, Roberto; Soutter, W Patrick; McIndoe, G Angus; Williams, Andreanna D; deSouza, Nandita M

2004-03-01

To compare in vivo (1)H magnetic resonance (MR) spectra of preinvasive and invasive cervical lesions with ex vivo magic angle spinning (MAS) spectra of intact biopsies from the same subjects and to establish the effects of tumor load in the tissue sampled on the findings. A total of 51 subjects (nine with normal cervix, 10 with cervical intraepithelial neoplasia [CIN], and 32 with cervical cancer) underwent endovaginal MR at 1.5 T. Single-voxel (3.4 cm(3)) (1)H MR spectra were acquired and voxel tumor load was calculated (tumor volume within voxel as a percentage of voxel volume). Resonances from triglycerides -CH(2) and -CH(3) and choline-containing compounds (Cho) were correlated with voxel tumor load. Biopsies analyzed by (1)H MAS-MR spectroscopy (MRS) had metabolite levels correlated with tumor load in the sample at histology. In vivo studies detected Cho in normal, CIN, and cancer patients with no significant differences in levels (P = 0.93); levels were independent of voxel tumor load. Triglyceride -CH(2) and -CH(3) signals in-phase with Cho were present in 77% and 29%, respectively, of cancer subjects (but not in normal women or those with CIN), but did not correlate with voxel tumor load. Ex vivo cancer biopsies showed levels of triglycerides -CH(2) and -CH(3) and of Cho that were significantly greater than in normal or CIN biopsies (P < 0.05); levels were independent of the tumor load in the sample. The presence of -CH(2) in vivo predicted the presence of cancer with a sensitivity and specificity of 77.4% and 93.8% respectively, positive (PPV) and negative (NPV) predictive values were 96% and 68.2%; for -CH(2) ex vivo, sensitivity was 100%; specificity, 69%; PPV, 82%; and NPV, 100%. Elevated lipid levels are detected by MRS in vivo and ex vivo in cervical cancer and are independent of tumor load in the volume of tissue sampled. Copyright 2004 Wiley-Liss, Inc.

Findings in Ps-H scattering

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

Ray, Hasi

2006-06-15

The best three-channel projectile-inelastic close-coupling approximation (CCA) is used to study the resonances in positronium (Ps) and hydrogen (H) scattering at the energy region below the inelastic threshold. The s-wave elastic phase shifts and s-wave elastic cross sections are studied using the static-exchange, two- and three-channel projectile-inelastic CCA for both the singlet (+) and triplet (-) channels. The singlet resonances detected using different CCA schemes confirm previous predictions [Drachman and Houston, Phys. Rev. A 12, 885 (1975); Page, J. Phys. B. 9, 1111 (1976)]. We report a resonance in the triplet channel too using the present three-channel CCA scheme.

Influence of resonant collisions on the self-broadening of acetylene

NASA Astrophysics Data System (ADS)

Lehmann, Kevin K.

2017-03-01

Iwakuni et al. [Phys. Rev. Lett. 117, 143902 (2016)] have reported an ortho-para alternation of ˜10% in the self pressure broadening coefficients for ro-vibrational lines of the C2H2 transitions in the ν1+ν3 C-H (local mode) overtone band near 197 THz (1.52 μm). These authors attributed this effect to the contribution of resonant collisions, where the rotational energy change of one molecule is exactly compensated by the rotational energy change of its collision partner. Resonant collisions are known to be important in the case of self pressure broadening of highly polar molecules, such as HCN, but have not previously been invoked in the case of nonpolar molecules, such as acetylene, where the long range potential is dominated by the quadrupole-quadrupole electrostatic interaction. In the present work, the simple semiclassical Anderson-theory approach is used to estimate the rates of C2H2-C2H2 rotationally inelastic collisions and these used to predict pressure broadening rates, ignoring other contributions to the broadening, which should not have resonant enhancements. It is found that exactly resonant collisions do not make a major contribution to the broadening and these calculations predict an ortho-para alternation of the pressure broadening coefficients far below what was inferred by Iwakuni et al. The present results are consistent with a large body of published work that reported self-broadening coefficients of C2H2 ro-vibrational transitions that found negligible dependence on the vibrational transition and no even-odd alternation, even for Q and S branch transitions where any such effect is predicted to be much larger than for the P and R branch transitions studied by Iwakuni et al.

On the Nature of the Hard X-ray Sources SWIFT J1907.3-2050, IGR J12123-5802 and IGR J19552+0044

NASA Technical Reports Server (NTRS)

Bernardini, F.; De Martino, D.; Mukai, K.; Falanga, M.; Andruchow, I.; Bonnet-Bidaud, J.-M.; Masetti, N.; Gonzalez Buitrago, D. H.; Mouchet, M.; Tovmassian, G.

2013-01-01

The INTEGRAL and Swift hard X-ray surveys have identified a large number of new sources, among which many are proposed as Cataclysmic Variables (CVs). Here we present the first detailed study of three X-ray selected CVs, Swift J1907.3-2050, IGRJ12123-5802, and IGRJ19552+0044 based on XMM-Newton, Suzaku, Swift observations and ground based optical and archival near-infrared/infrared data. Swift J1907.3-2050 is highly variable from hours to months-years at all wavelengths. No coherent X-ray pulses are detected but rather transient features. The X-ray spectrum reveals a multi-temperature optically thin plasma absorbed by complex neutral material and a soft black body component arising from a small area. These characteristics are remarkably similar to those observed in magnetic CVs. A supra-solar abundance of nitrogen could arise from nuclear processed material from the donor star. Swift J1907.3-2050 could be a peculiar magnetic CV with the second longest (20.82 hours) binary period. IGRJ12123-5802 is variable in the X-rays on a timescale of greater than or approximately 7.6 hours. No coherent pulsations are detected, but its spectral characteristics suggest that it could be a magnetic CV of the Intermediate Polar (IP) type. IGRJ19552+0044 shows two X-ray periods, approximately 1.38 hours and approximately 1.69 hours and a X-ray spectrum characterized by a multi-temperature plasma with little absorption. We derive a low accretion rate, consistent with a CV below the orbital period gap. Its peculiar near-infrared/infrared spectrum suggests a contribution from cyclotron emission. It could either be a pre-polar or an IP with the lowest degree of asynchronism.

Radiofrequency Ablation Using a Multiple-Electrode Switching System for Lung Tumors with 2.0-5.0-cm Maximum Diameter: Phase II Clinical Study.

PubMed

Kodama, Hiroshi; Yamakado, Koichiro; Hasegawa, Takaaki; Fujimori, Masashi; Yamanaka, Takashi; Takaki, Haruyuki; Uraki, Junji; Nakatsuka, Atsuhiro; Sakuma, Hajime

2015-12-01

To prospectively evaluate the safety and effectiveness of radiofrequency ablation (RFA) by using a multiple-electrode switching system to treat 2.0-5.0-cm lung tumors. The institutional review board approved this prospective phase II study. Written informed consent was obtained from all patients. Between September 2009 and July 2011, RFA using two or three radiofrequency (RF) electrodes and a multiple-electrode switching system was performed for malignant lung tumors with a maximum tumor diameter of 2.0-5.0 cm in nonsurgical candidates. The primary endpoint was safety, as evaluated using the Common Terminology Criteria for Adverse Events. Patients were observed for at least 1 year. Local tumor progression and overall survival were analyzed with the Kaplan-Meier method. Thirty-three patients (26 men, seven women; mean age, 70.5 years ± 10.0; age range, 46-87 years) with 35 lung tumors with a mean maximum diameter of 3.0 cm ± 0.7 (standard deviation; range, 2.0-4.4 cm) underwent treatment in 35 sessions. No procedure-related death or grade 4 adverse events (AEs) occurred. Grade 3 AEs occurred in four patients (12%), with pleural effusion requiring chest tube placement in two patients, pneumothorax requiring pleural adhesion in one patient, and pulmonary hemorrhage requiring pulmonary artery coil embolization in one patient. Grade 2 AEs were detected in 13 patients (39%). The 1-year local tumor progression and overall survival rates were 12.7% (95% confidence interval [CI]: 1.0, 25.5) and 81.2% (95% CI: 67.6, 94.8). RFA with a multiple-electrode switching system may be a safe therapeutic option with which to treat 2.0-5.0-cm lung cancer tumors.

If It's Resonance, What is Resonating?

ERIC Educational Resources Information Center

Kerber, Robert C.

2006-01-01

The phenomenon under the name "resonance," which, is based on the mathematical analogy between mechanical resonance and the behavior of wave functions in quantum mechanical exchange phenomena was described. The resonating system does not have a structure intermediate between those involved in the resonance, but instead a structure which is further…

The Muon Collider as a $H/A$ factory

DOE PAGES

Eichten, Estia; Martin, Adam; Univ. of Notre Dame, IN

2013-11-22

We show that a muon collider is ideally suited for the study of heavy H/A scalars, cousins of the Higgs boson found in two-Higgs doublet models and required in supersymmetric models. The key aspects of H/A are: (1) they are narrow, yet have a width-to-mass ratio far larger than the expected muon collider beam-energy resolution, and (2) the larger muon Yukawa allows efficient s-channel production. We study in detail a representative Natural Supersymmetry model which has a 1.5 Tev H/A withmore » $$m_H$$- $$m_A$$ = 10 Gev. The large event rates at resonant peak allow the determination of the individual H and A resonance parameters (including CP) and the decays into electroweakinos provides a wealth of information unavailable to any other present or planned collider.« less

Intracellular Osmolyte Distributions Assessed by ^1H and ^23Na Magnetic Resonance Microscopy

NASA Astrophysics Data System (ADS)

Grant, Samuel

2007-03-01

Recently, Magnetic Resonance Microscopy (MRM) has been applied to the high resolution imaging and localized spectroscopy of isolated cells^1,2. With resolutions <40 μm, these efforts have demonstrated the diverse intracellular environments that can be probed by proton MRM to provide insight into the compartmental diffusion and relaxation of intracellular water and metabolites. In this study, the intracellular distribution of the inorganic osmolyte sodium in isolated single neurons is assessed by MRM through the acquisition of three-dimensional (3D) microimages by direct observation of ^23Na. These efforts are made possible through (a) the use of a specially constructed, double-tuned Radio Frequency (RF) microcoil and (b) the application of a unique, ultra-widebore 21.1-T magnet. Results show an increased sodium signal in the nucleus of the L7 neuron of aplysia Californica. These ^23Na findings are compared with MR data that display a heterogeneous distribution of the organic osmolyte betaine, which appears to be localized at high concentrations to the cytoplasm. The link between the intracellular distributions of sodium and other osmolytes in this single neuron model may shed light on intracellular osmoregulatory processes, particularly in response to toxic or pathological perturbations. ^1S.C.Grant, et al., Magn. Reson. Med. 2000. ^2S.C.Grant, et al., Magn. Reson. Med. 2001.

Optical fiber sensor based on surface plasmon resonance for rapid detection of avian influenza virus subtype H6: Initial studies.

PubMed

Zhao, Xihong; Tsao, Yu-Chia; Lee, Fu-Jung; Tsai, Woo-Hu; Wang, Ching-Ho; Chuang, Tsung-Liang; Wu, Mu-Shiang; Lin, Chii-Wann

2016-07-01

A side-polished fiber optic surface plasmon resonance (SPR) sensor was fabricated to expose the core surface and then deposited with a 40 nm thin gold film for the near surface sensing of effective refractive index changes with surface concentration or thickness of captured avian influenza virus subtype H6. The detection surface of the SPR optical fiber sensor was prepared through the plasma modification method for binding a self-assembled monolayer of isopropanol chemically on the gold surface of the optical fiber. Subsequently, N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide/N-hydroxysuccinimide was activated to enable EB2-B3 monoclonal antibodies to capture A/chicken/Taiwan/2838V/00 (H6N1) through a flow injection system. The detection limit of the fabricated optical fiber sensor for A/chicken/Taiwan/2838V/00 was 5.14 × 10(5) EID50/0.1 mL, and the response time was 10 min on average. Moreover, the fiber optic sensor has the advantages of a compact size and low cost, thus rendering it suitable for online and remote sensing. The results indicated that the optical fiber sensor can be used for epidemiological surveillance and diagnosing of avian influenza subtype H6 rapidly. Copyright © 2016 Elsevier B.V. All rights reserved.

Anharmonic Resonances among Low-Lying Vibrational Levels of Methyl Iso-Cyanide (H_3CNC)

NASA Astrophysics Data System (ADS)

Pracna, P.; Urban, J.; Urban, V. S.; Varga, J.; Horneman, V.-M.

2010-06-01

Vibrational levels up to 1000 wn of H_3C-N≡C are currently studied in FTIR spectra together with rotational transitions within these levels. This investigation comprises the low-lying excited vibrational levels of the CNC doubly degenerate bending vibration v8=1^± 1 (267.3 wn), v8=20,± 2 (524.6 wn (A), 545.3 wn (E)), and v8=3^± 1,± 3 (792.5 wn (A1+A2), 833.9 wn (E)), respectively, and the next higher fundamental level of the C-N valence vibration v4=1 (945 wn). All these vibrational levels exhibit cubic and quartic anharmonic resonances localized to moderate values of the rotational quantum number K≤10. Therefore the system of rovibrational levels has to be treated as a global polyad in order to describe all the available data quantitatively. The ground state constants have been improved considerably by extending the assignments to higher J/K rotational states both in the purely rotational spectra recorded in the ground vibrational level and in the ground state combination differences generated from the wavenumbers assigned in the fundamental ν_4 band. Similarities and differences with respect to isoelectronic molecules CH_3CN and CH_3CCH are discussed.

Location of the first plasma response to resonant magnetic perturbations in DIII-D H-mode plasmas

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

Xiao, W. W.; Evans, T. E.; Tynan, G. R.

2016-04-27

The resonant location of the first plasma response to periodic toroidal phase flips of a Resonant Magnetic Perturbation (RMP) field is experimentally identified in the DIII-D tokamak using phase minima of the modulated plasma density and toroidal rotation relative to the RMP field. Furthermore, the plasma response coincides with the q=3 rational surface and electron fluid velocity null, which is consistent with simulations of the plasma response to the RMP field from a resistive Magnetohydrodynamics modeling. We also observe an asymmetric propagation of the particle and the momentum from the resonant location of the plasma response to the RMP intomore » to core and into the plasma edge.« less

Electrification Futures Study: End-Use Electric Technology Cost and Performance Projections through 2050

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

Vimmerstedt, Laura J.; Jadun, Paige; McMillan, Colin A.

This report provides projected cost and performance assumptions for electric technologies considered in the Electrification Futures Study, a detailed and comprehensive analysis of the effects of widespread electrification of end-use service demands in all major economic sectors - transportation, residential and commercial buildings, and industry - for the contiguous United States through 2050. Using extensive literature searches and expert assessment, the authors identify slow, moderate, and rapid technology advancement sensitivities on technology cost and performance, and they offer a comparative analysis of levelized cost metrics as a reference indicator of total costs. The identification and characterization of these end-use servicemore » demand technologies is fundamental to the Electrification Futures Study. This report, the larger Electrification Futures Study, and the associated data and methodologies may be useful to planners and analysts in evaluating the potential role of electrification in an uncertain future. The report could be broadly applicable for other analysts and researchers who wish to assess electrification and electric technologies.« less

Nuclear magnetic resonance data of C36H30Br2OSb2

NASA Astrophysics Data System (ADS)

Mikhova, B. M.

This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

Nuclear magnetic resonance data of C36H30Cl2OSb2

NASA Astrophysics Data System (ADS)

Mikhova, B. M.

This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

Fabrication and characterization of a CNT forest integrated micromechanical resonator for a rarefied gas analyzer in a medium vacuum atmosphere

NASA Astrophysics Data System (ADS)

Sugano, Koji; Matsumoto, Ryu; Tsutsui, Ryota; Kishihara, Hiroyuki; Matsuzuka, Naoki; Yamashita, Ichiro; Uraoka, Yukiharu; Isono, Yoshitada

2016-07-01

This study focuses on the development of a multi-walled carbon nanotube (MWCNT) forest integrated micromechanical resonator working as a rarefied gas analyzer for nitrogen (N2) and hydrogen (H2) gases in a medium vacuum atmosphere. The resonant response is detected in the form of changes in the resonant frequency or damping effects, depending on the rarefied gas species. The carbon nanotube (CNT) forest on the resonator enhances the effective specific surface area of the resonator, such that the variation of the resonant frequency and the damping effect based on the gas species increase significantly. We developed the fabrication process for the proposed resonator, which consists of standard micro-electro-mechanical systems (MEMS) processes and high-density CNT synthesis on the resonator mass. The high-density CNT synthesis was realized using multistep alternate coating of two types of ferritin proteins that act as catalytic iron particles. Two devices with different CNT densities were fabricated and characterized to evaluate the effect of the surface area of the CNT forest on the resonant response as a function of gas pressures ranging from 0.011 to 1 Pa for N2 and H2. Considering the damping effect, we found that the device with higher density was able to distinguish N2 and H2 clearly, whereas the device with lower density showed no difference between N2 and H2. We confirmed that a larger surface area showed a higher damping effect. These results were explained based on the kinetic theory of gases. In the case of resonant frequency, the relative resonant frequency shift increased with gas pressure and surface area because of the adsorption of gas molecules on the resonator surfaces. Higher density CNT forest adsorbed more gas molecules on the surfaces. The developed CNT forest integrated micromechanical resonator could successfully detect N2 and H2 gases and distinguish between them under pressures of 1 Pa.

New class of 19F pH indicators: fluoroanilines.

PubMed Central

Deutsch, C J; Taylor, J S

1989-01-01

The pH dependence of the 19F chemical shift has been characterized for a number of fluorine-substituted aniline derivatives. These compounds constitute a new class of 19F nuclear magnetic resonance (NMR) pH indicators, characterized by single 19F resonance lines with sensitivities ranging from 2 to 7 ppm/pH unit near the aniline pKa; total shifts between conjugate acid and base of 5-15 ppm; and pKas ranging from 1 to 7. One compound, N,N-(methyl-2-carboxyisopropyl)-4-fluoroaniline, has a pKa of 6.8 and a sensitivity of 5 ppm/pH unit. This compound displays significant broadening of its 19F resonance near the aniline pKa (6.8), due to a decreased rate of exchange between conjugate acid and base species. Our results are consistent with slow dissociation of an intramolecular hydrogen bond in the zwitterionic species that limits the exchange rate between protonated and unprotonated forms for N,N-(methyl-2-carboxyisopropyl)-4-fluoroaniline. PMID:2720073

NQRS Data for C24H20BRb (Subst. No. 1578)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C24H20BRb (Subst. No. 1578)

Conditions and phase shift of fluid resonance in narrow gaps of bottom mounted caissons

NASA Astrophysics Data System (ADS)

Zhu, Da-tong; Wang, Xing-gang; Liu, Qing-jun

2017-12-01

This paper studies the viscid and inviscid fluid resonance in gaps of bottom mounted caissons on the basis of the plane wave hypothesis and full wave model. The theoretical analysis and the numerical results demonstrate that the condition for the appearance of fluid resonance in narrow gaps is kh=(2 n+1)π ( n=0, 1, 2, 3, …), rather than kh= nπ ( n=0, 1, 2, 3, …); the transmission peaks in viscid fluid are related to the resonance peaks in the gaps. k and h stand for the wave number and the gap length. The combination of the plane wave hypothesis or the full wave model with the local viscosity model can accurately determine the heights and the locations of the resonance peaks. The upper bound for the appearance of fluid resonance in gaps is 2 b/ L<1 (2 b, grating constant; L, wave length) and the lower bound is h/ b≤1. The main reason for the phase shift of the resonance peaks is the inductive factors. The number of resonance peaks in the spectrum curve is dependent on the ratio of the gap length to the grating constant. The heights and the positions of the resonance peaks predicted by the present models agree well with the experimental data.

Chemical purity using quantitative 1H-nuclear magnetic resonance: a hierarchical Bayesian approach for traceable calibrations

NASA Astrophysics Data System (ADS)

Toman, Blaza; Nelson, Michael A.; Lippa, Katrice A.

2016-10-01

Chemical purity assessment using quantitative 1H-nuclear magnetic resonance spectroscopy is a method based on ratio references of mass and signal intensity of the analyte species to that of chemical standards of known purity. As such, it is an example of a calculation using a known measurement equation with multiple inputs. Though multiple samples are often analyzed during purity evaluations in order to assess measurement repeatability, the uncertainty evaluation must also account for contributions from inputs to the measurement equation. Furthermore, there may be other uncertainty components inherent in the experimental design, such as independent implementation of multiple calibration standards. As such, the uncertainty evaluation is not purely bottom up (based on the measurement equation) or top down (based on the experimental design), but inherently contains elements of both. This hybrid form of uncertainty analysis is readily implemented with Bayesian statistical analysis. In this article we describe this type of analysis in detail and illustrate it using data from an evaluation of chemical purity and its uncertainty for a folic acid material.

Cardiac effects of MDMA on the metabolic profile determined with 1H-magnetic resonance spectroscopy in the rat†

PubMed Central

Perrine, Shane A.; Michaels, Mark S.; Ghoddoussi, Farhad; Hyde, Elisabeth M.; Tancer, Manuel E.; Galloway, Matthew P.

2010-01-01

Despite the potential for deleterious (even fatal) effects on cardiac physiology, 3,4-methylenedioxymethamphetamine (MDMA; ecstasy) abuse abounds driven mainly by its euphoric effects. Acute exposure to MDMA has profound cardiovascular effects on blood pressure and heart rate in humans and animals. To determine the effects of MDMA on cardiac metabolites in rats, MDMA (0, 5, or 10 mg/kg) was injected every 2 h for a total of four injections; animals were sacrificed 2 h after the last injection (8 h drug exposure), and their hearts removed and tissue samples from left ventricular wall dissected. High resolution magic angle spinning proton magnetic resonance spectroscopy (1H-MRS) at 11.7 T, a specialized version of MRS aptly suited for analysis of semi-solid materials such as intact tissue samples, was used to measure the cardiac metabolomic profile, including alanine, lactate, succinate, creatine, and carnitine, in heart tissue from rats treated with MDMA. MDMA effects on MR-visible choline, glutamate, glutamine, and taurine were also determined. Body temperature was measured following each MDMA administration and serotonin and norepinephrine (NE) levels were measured by high pressure liquid chromatography (HPLC) in heart tissue from treated animals. MDMA significantly and dose-dependently increased body temperature, a hallmark of amphetamines. Serotonin, but not NE, levels were significantly and dose-dependently decreased by MDMA in the heart wall. MDMA significantly altered the MR-visible profile with an increase in carnitine and no change in other key compounds involved in cardiomyocyte energy metabolomics. Finally, choline levels were significantly decreased by MDMA in heart. The results are consistent with the notion that MDMA has significant effects on cardiovascular serotonergic tone and disrupts the metabolic homeostasis of energy regulation in cardiac tissue, potentially increasing utilization of fatty acid metabolism. The contributions of serotonergic

Cardiac effects of MDMA on the metabolic profile determined with 1H-magnetic resonance spectroscopy in the rat.

PubMed

Perrine, Shane A; Michaels, Mark S; Ghoddoussi, Farhad; Hyde, Elisabeth M; Tancer, Manuel E; Galloway, Matthew P

2009-05-01

Despite the potential for deleterious (even fatal) effects on cardiac physiology, 3,4-methylenedioxymethamphetamine (MDMA; ecstasy) abuse abounds driven mainly by its euphoric effects. Acute exposure to MDMA has profound cardiovascular effects on blood pressure and heart rate in humans and animals. To determine the effects of MDMA on cardiac metabolites in rats, MDMA (0, 5, or 10 mg/kg) was injected every 2 h for a total of four injections; animals were sacrificed 2 h after the last injection (8 h drug exposure), and their hearts removed and tissue samples from left ventricular wall dissected. High resolution magic angle spinning proton magnetic resonance spectroscopy ((1)H-MRS) at 11.7 T, a specialized version of MRS aptly suited for analysis of semi-solid materials such as intact tissue samples, was used to measure the cardiac metabolomic profile, including alanine, lactate, succinate, creatine, and carnitine, in heart tissue from rats treated with MDMA. MDMA effects on MR-visible choline, glutamate, glutamine, and taurine were also determined. Body temperature was measured following each MDMA administration and serotonin and norepinephrine (NE) levels were measured by high pressure liquid chromatography (HPLC) in heart tissue from treated animals. MDMA significantly and dose-dependently increased body temperature, a hallmark of amphetamines. Serotonin, but not NE, levels were significantly and dose-dependently decreased by MDMA in the heart wall. MDMA significantly altered the MR-visible profile with an increase in carnitine and no change in other key compounds involved in cardiomyocyte energy metabolomics. Finally, choline levels were significantly decreased by MDMA in heart. The results are consistent with the notion that MDMA has significant effects on cardiovascular serotonergic tone and disrupts the metabolic homeostasis of energy regulation in cardiac tissue, potentially increasing utilization of fatty acid metabolism. The contributions of serotonergic

Quantification of macrovesicular and microvesicular hepatic steatosis in rats using 3.0-T ¹H-magnetic resonance spectroscopy.

PubMed

Ou, H-Y; Chao, P-H; Yu, P-C; Wei, Y-C; Chen, C-L; Yu, C-Y; Chiu, T-M; Chang, Y-C; Lai, C-Y; Cheng, Y-F

2012-05-01

Hepatic steatosis (HE), which is common among the general population, is present in donor organs, potentially affecting their graft survival as well as the recovery of the donor. Our goal was to develop an experimentally and clinically reliable, noninvasive method to quantify macrovesicular and microvesicular hepatic steatosis using 3-T (1)H-magnetic resonance spectroscopy (MRS). Macrovesicular and microvescular steatosis were induced in rats using methylcholine deficiency and choline deficiency diets. A MayoBC10 coil was used for radiofrequency transmission and signal recept. Measurements of hepatic fat content were performed using (1)H spectroscopy on a 3.0-T whole-body GE Signa system. The ratio of the areas under the curve of fat (0.8-1.3 ppm) and water (4.7 ppm) was used to determine hepatic fat content, which was compared with the degree of histopathologic and biochemical steatosis. Twenty rats were divided into two groups based on the percentage of microvesicular liver steatosis. Group A (n = 13) was the lower percentage group (microvesicular < 10%) while group B (n = 7), the higher group (microvesicular ≥ 10%). The mean total fatty change in the liver was 58.4% ± 47.2% and 67.6% ± 39.1% in groups A and B, respectively. A highly significant linear correlation between (1)H-MRS and total fatty change was observed in group A (r = .986, P < .001) while there was a relatively poor correlation in group B (r = .764, P = .05). The power to predict fatty change in the liver in groups A and B was significantly different (P = .004). The degree of hepatic steatosis with a small amount of microvesicular steatosis (<10%) can be precisely predicted using 3-T (1)H-MRS. Copyright © 2012 Elsevier Inc. All rights reserved.

NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues.

PubMed

Kuchel, Philip W; Naumann, Christoph; Chapman, Bogdan E; Shishmarev, Dmitry; Håkansson, Pär; Bacskay, George; Hush, Noel S

2014-10-01

Urea at ∼12 M in concentrated gelatin gel, that was stretched, gave (1)H and (2)H NMR spectral splitting patterns that varied in a predictable way with changes in the relative proportions of (1)H2O and (2)H2O in the medium. This required consideration of the combinatorics of the two amide groups in urea that have a total of four protonation/deuteration sites giving rise to 16 different isotopologues, if all the atoms were separately identifiable. The rate constant that characterized the exchange of the protons with water was estimated by back-transformation analysis of 2D-EXSY spectra. There was no (1)H NMR spectral evidence that the chiral gelatin medium had caused in-equivalence in the protons bonded to each amide nitrogen atom. The spectral splitting patterns in (1)H and (2)H NMR spectra were accounted for by intra-molecular scalar and dipolar interactions, and quadrupolar interactions with the electric field gradients of the gelatin matrix, respectively. Copyright © 2014 Elsevier Inc. All rights reserved.

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

NASA Astrophysics Data System (ADS)

Gafurov, M.; Biktagirov, T.; Yavkin, B.; Mamin, G.; Filippov, Y.; Klimashina, E.; Putlayev, V.; Orlinskii, S.

2014-04-01

Synthesized by the wet chemical precipitation technique, hydroxyapatite (HAp) powders with the sizes of the crystallites of 20-50 nm and 1 μm were analyzed by different analytical methods. By means of electron paramagnetic resonance (EPR) it is shown that during the synthesis process nitrate anions from the reagents (byproducts) could incorporate into the HAp structure. The relaxation times and EPR parameters of the stable axially symmetric NO{3/2-} paramagnetic centers detected after X-ray irradiation are measured with high accuracy. Analyses of high-frequency (95 GHz) electron-nuclear double resonance spectra from 1H and 31P nuclei and ab initio density functional theory calculations allow suggesting that the paramagnetic centers and nitrate anions as the precursors of NO{3/2-} radicals preferably occupy PO{4/3-} site in the HAp structure.

Vibrations and reorientations of H2O molecules in [Sr(H2O)6]Cl2 studied by Raman light scattering, incoherent inelastic neutron scattering and proton magnetic resonance.

PubMed

Hetmańczyk, Joanna; Hetmańczyk, Lukasz; Migdał-Mikuli, Anna; Mikuli, Edward; Florek-Wojciechowska, Małgorzata; Harańczyk, Hubert

2014-04-24

Vibrational-reorientational dynamics of H2O ligands in the high- and low-temperature phases of [Sr(H2O)6]Cl2 was investigated by Raman Spectroscopy (RS), proton magnetic resonance ((1)H NMR), quasielastic and inelastic incoherent Neutron Scattering (QENS and IINS) methods. Neutron powder diffraction (NPD) measurements, performed simultaneously with QENS, did not indicated a change of the crystal structure at the phase transition (detected earlier by differential scanning calorimetry (DSC) at TC(h)=252.9 K (on heating) and at TC(c)=226.5K (on cooling)). Temperature dependence of the full-width at half-maximum (FWHM) of νs(OH) band at ca. 3248 cm(-1) in the RS spectra indicated small discontinuity in the vicinity of phase transition temperature, what suggests that the observed phase transition may be associated with a change of the H2O reorientational dynamics. However, an activation energy value (Ea) for the reorientational motions of H2O ligands in both phases is nearly the same and equals to ca. 8 kJ mol(-1). The QENS peaks, registered for low temperature phase do not show any broadening. However, in the high temperature phase a small QENS broadening is clearly visible, what implies that the reorientational dynamics of H2O ligands undergoes a change at the phase transition. (1)H NMR line is a superposition of two powder Pake doublets, differentiated by a dipolar broadening, suggesting that there are two types of the water molecules in the crystal lattice of [Sr(H2O)6]Cl2 which are structurally not equivalent average distances between the interacting protons are: 1.39 and 1.18 Å. However, their reorientational dynamics is very similar (τc=3.3⋅10(-10) s). Activation energies for the reorientational motion of these both kinds of H2O ligands have nearly the same values in an experimental error limit: and equal to ca. 40 kJ mole(-1). The phase transition is not seen in the (1)H NMR spectra temperature dependencies. Infrared (IR), Raman (RS) and inelastic

A few words about resonances in the electroweak effective Lagrangian

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

Rosell, Ignasi; Pich, Antonio; Santos, Joaquín

Contrary to a widely spread believe, we have demonstrated that strongly coupled electroweak models including both a light Higgs-like boson and massive spin-1 resonances are not in conflict with experimental constraints on the oblique S and T parameters. We use an effective Lagrangian implementing the chiral symmetry breaking SU (2){sub L} ⊗ SU (2){sub R} → SU (2){sub L+R} that contains the Standard Model gauge bosons coupled to the electroweak Goldstones, one Higgs-like scalar state h with mass m{sub h} = 126 GeV and the lightest vector and axial-vector resonance multiplets V and A. We have considered the one-loop calculationmore » of S and T in order to study the viability of these strongly-coupled scenarios, being short-distance constraints and dispersive relations the main ingredients of the calculation. Once we have constrained the resonance parameters, we do a first approach to the determination of the low energy constants of the electroweak effective theory at low energies (without resonances). We show this determination in the case of the purely Higgsless bosonic Lagrangian.« less

Dynamic resonances in the reaction of fluorine atoms with hydrogen molecules

NASA Astrophysics Data System (ADS)

Neumark, D. M.; Wodtke, A. M.; Robinson, G. N.; Hayden, C. C.; Lee, Y. T.

1984-05-01

The reactions of F + H2, HD and D2 were studied in high resolution crossed molecular beams experiments. Center of mass translational energy and angular distributions were determined for each product vibrational state. In the F + H2 reaction, the v = 3 product showed intense forward scattering while the v = 2 product was backward peaked. The results suggest that dynamical resonances play an important role in the reaction dynamics of this system. In the F + HD reaction, the strong forward scattering of HF products and backward scattering of DF products is in agreement with the prediction of a stronger resonance effect for HF formation. The effect of the H2 rotational excitation and the reactivity of F((2)P/sub 1/2/) are also discussed.

Lorentz force in water: evidence that hydronium cyclotron resonance enhances polymorphism.

PubMed

D'Emilia, E; Giuliani, L; Lisi, A; Ledda, M; Grimaldi, S; Montagnier, L; Liboff, A R

2015-01-01

There is an ongoing question regarding the structure forming capabilities of water at ambient temperatures. To probe for different structures, we studied effects in pure water following magnetic field exposures corresponding to the ion cyclotron resonance of H3O(+). Included were measurements of conductivity and pH. We find that under ion cyclotron resonance (ICR) stimulation, water undergoes a transition to a form that is hydroxonium-like, with the subsequent emission of a transient 48.5 Hz magnetic signal, in the absence of any other measurable field. Our results indicate that hydronium resonance stimulation alters the structure of water, enhancing the concentration of EZ-water. These results are not only consistent with Del Giudice's model of electromagnetically coherent domains, but they can also be interpreted to show that these domains exist in quantized spin states.

Electron spin resonance characterization of vascular xanthine and NAD(P)H oxidase activity in patients with coronary artery disease: relation to endothelium-dependent vasodilation.

PubMed

Spiekermann, Stephan; Landmesser, Ulf; Dikalov, Sergey; Bredt, Martin; Gamez, Graciela; Tatge, Helma; Reepschläger, Nina; Hornig, Burkhard; Drexler, Helmut; Harrison, David G

2003-03-18

Increased inactivation of nitric oxide by superoxide (O2*-) contributes to endothelial dysfunction in patients with coronary disease (CAD). We therefore characterized the vascular activities of xanthine oxidase and NAD(P)H oxidase, 2 major O2*--producing enzyme systems, and their relationship with flow-dependent, endothelium-mediated vasodilation (FDD) in patients with CAD. Xanthine- and NAD(P)H-mediated O*.- formation was determined in coronary arteries from 10 patients with CAD and 10 controls by using electron spin resonance spectroscopy. Furthermore, activity of endothelium-bound xanthine oxidase in vivo and FDD of the radial artery were determined in 21 patients with CAD and 10 controls. FDD was measured before and after infusion of the antioxidant vitamin C (25 mg/min i.a.) to determine the portion of FDD inhibited by radicals. In coronary arteries from patients with CAD, xanthine- and NAD(P)H-mediated O2*- formation was increased compared with controls (xanthine: 12+/-2 versus 7+/-1 nmol O2*-/ microg protein; NADH: 11+/-1 versus 7+/-1 nmol O2*-/ microg protein; and NADPH: 12+/-2 versus 9+/-1 nmol O2*-/ microg protein; each P<0.05). Endothelium-bound xanthine oxidase activity was increased by >200% in patients with CAD (25+/-4 versus 9+/-1 nmol O2*-/ microL plasma per min; P<0.05) and correlated inversely with FDD (r=-0.55; P<0.05) and positively with the effect of vitamin C on FDD (r=0.54; P<0.05). The present study represents the first electron spin resonance measurements of xanthine and NAD(P)H oxidase activity in human coronary arteries and supports the concept that increased activities of both enzymes contribute to increased vascular oxidant stress in patients with CAD. Furthermore, the present study suggests that increased xanthine oxidase activity contributes to endothelial dysfunction in patients with CAD and may thereby promote the atherosclerotic process.

Estimated ground-water use in Becker, Clay, Douglas, Grant, Otter Tail, and Wilkin Counties, Minnesota, for 2030 and 2050

USGS Publications Warehouse

Winterstein, Thomas A.

2007-01-01

The estimated recharge to the Buffalo aquifer, Otter Tail surficial aquifer, and Pelican River sand-plain aquifer is 3,707, 51,000, and 4,900–8,900 Mgal/yr, respectively. The range of the estimated 2050 ground-water withdrawals from the Buffalo, Otter Tail surficial, and Pelican River sand-plain aquifers is 1,234–1,776 Mgal/yr from the Buffalo aquifer, 11,728–14,820 Mgal/yr from the Otter Tail surficial aquifer, and 3,385–4,298 Mgal/yr from the Pelican River sand-plain aquifer.

A laser flash photolysis kinetics study of the reaction OH + H2O2 yields HO2 + H2O

NASA Technical Reports Server (NTRS)

Wine, P. H.; Semmes, D. H.; Ravishankara, A. R.

1981-01-01

Absolute rate constants for the reaction are reported as a function of temperature over the range 273-410 K. OH radicals are produced by 266 nm laser photolysis of H2O2 and detected by resonance fluorescence. H2O2 concentrations are determined in situ in the slow flow system by UV photometry. The results confirm the findings of two recent discharge flow-resonance fluorescence studies that the title reaction is considerably faster, particularly at temperatures below 300 K, than all earlier studies had indicated. A table giving kinetic data from the reaction is included.

Metabolomic Profile of Ards by Nuclear Magnetic Resonance Spectroscopy in Patients with H1N1 Influenza Virus Pneumonia.

PubMed

Izquierdo-Garcia, Jose L; Nin, Nicolas; Jimenez-Clemente, Jorge; Horcajada, Juan P; Arenas-Miras, Maria Del Mar; Gea, Joaquim; Esteban, Andres; Ruiz-Cabello, Jesus; Lorente, Jose A

2017-12-29

The integrated analysis of changes in the metabolic profile could be critical for the discovery of biomarkers of lung injury, and also for generating new pathophysiological hypotheses and designing novel therapeutic targets for the acute respiratory distress syndrome (ARDS). This study aimed at developing a Nuclear Magnetic Resonance (NMR)-based approach for the identification of the metabolomic profile of ARDS in patients with H1N1 influenza virus pneumonia. Serum samples from 30 patients (derivation set) diagnosed of H1N1 influenza virus pneumonia were analysed by unsupervised Principal Component Analysis (PCA) to identify metabolic differences between patients with and without ARDS by NMR-spectroscopy. A predictive model of partial least squares discriminant analysis (PLS-DA) was developed for the identification of ARDS. PLS-DA was trained with the derivation set and tested in another set of samples from 26 patients also diagnosed of H1N1 influenza virus pneumonia (validation set). Decreased serum glucose, alanine, glutamine, methylhistidine and fatty acids concentrations, and elevated serum phenylalanine and methylguanidine concentrations, discriminated patients with ARDS versus patients without ARDS. PLS-DA model successfully identified the presence of ARDS in the validation set with a success rate of 92% (sensitivity 100% and specificity 91%). The classification functions showed a good correlation with the Sequential Organ Failure Assessment (SOFA) score (R = 0.74, p < 0.0001) and the Pa02/Fi02 ratio (R = 0.41, p = 0.03). The serum metabolomic profile is sensitive and specific to identify ARDS in patients with H1N1 influenza A pneumonia. Future studies are needed to determine the role of NMR-spectroscopy as a biomarker of ARDS.

Resonance of relativistic electrons with electromagnetic ion cyclotron waves

DOE PAGES

Denton, R. E.; Jordanova, V. K.; Bortnik, J.

2015-06-29

Relativistic electrons have been thought to more easily resonate with electromagnetic ion cyclotron EMIC waves if the total density is large. We show that, for a particular EMIC mode, this dependence is weak due to the dependence of the wave frequency and wave vector on the density. A significant increase in relativistic electron minimum resonant energy might occur for the H band EMIC mode only for small density, but no changes in parameters significantly decrease the minimum resonant energy from a nominal value. The minimum resonant energy depends most strongly on the thermal velocity associated with the field line motionmore » of the hot ring current protons that drive the instability. High density due to a plasmasphere or plasmaspheric plume could possibly lead to lower minimum resonance energy by causing the He band EMIC mode to be dominant. We demonstrate these points using parameters from a ring current simulation.« less

Tunable resonant and non-resonant interactions between a phase qubit and LC resonator

NASA Astrophysics Data System (ADS)

Allman, Michael Shane; Whittaker, Jed D.; Castellanos-Beltran, Manuel; Cicak, Katarina; da Silva, Fabio; Defeo, Michael; Lecocq, Florent; Sirois, Adam; Teufel, John; Aumentado, Jose; Simmonds, Raymond W.

2014-03-01

We use a flux-biased radio frequency superconducting quantum interference device (rf SQUID) with an embedded flux-biased direct current (dc) SQUID to generate strong resonant and non-resonant tunable interactions between a phase qubit and a lumped-element resonator. The rf-SQUID creates a tunable magnetic susceptibility between the qubit and resonator providing resonant coupling rates from zero to near the ultra-strong coupling regime. By modulating the magnetic susceptibility, non-resonant parametric coupling achieves rates > 100 MHz . Nonlinearity of the magnetic susceptibility also leads to parametric coupling at subharmonics of the qubit-resonator detuning. Controllable coupling is generically important for constructing coupled-mode systems ubiquitous in physics, useful for both, quantum information architectures and quantum simulators. This work supported by NIST and NSA grant EAO140639.

Brain magnetic resonance imaging in acute phase of pandemic influenza A (H1N1) 2009--associated encephalopathy in children.

PubMed

Ishida, Yu; Kawashima, Hisashi; Morichi, Shinichiro; Yamanaka, Gaku; Okumura, Akihisa; Nakagawa, Satoshi; Morishima, Tsuneo

2015-02-01

Pandemic influenza A (H1N1) 2009 has been shown to be associated more with neurological complications than the seasonal influenza virus. In this study, we focused on the clinical usefulness of magnetic resonance imaging (MRI) in the acute phase of influenza A (H1N1) 2009-associated encephalopathy. A questionnaire was distributed to pediatric and general hospitals in Japan that treat children with encephalopathy. We conducted a questionnaire-based study involving the collection of information regarding 207 patients with encephalopathy. Brain MRI was performed in 97 of these 207 patients in the age group of 9 months to 15 years (mean, 7.5 years) within 48 hours after the development of encephalopathy symptoms. Sixty-six patients (68%) showed normal imaging. Diffuse brain edema was visible in five patients and an abnormal signal in the deep gray matter in two patients which is consistent with acute necrotizing encephalopathy. Abnormal signals of the splenial lesion, subcortical white matter (bright tree appearance), and cortical area were observed in 15, 1, and 8 patients, respectively. From our findings based on the questionnaire results, we suggest that MRI is useful for determining fatal cases of pandemic influenza A (H1N1) 2009 infection when performed in the acute phase. However, MRI is not useful in predicting the development of sequelae. Georg Thieme Verlag KG Stuttgart · New York.

ISR effects for resonant Higgs production at future lepton colliders

DOE PAGES

Greco, Mario; Han, Tao; Liu, Zhen

2016-11-04

We study the effects of the initial state radiation on themore » $s$-channel Higgs boson resonant production at $$\\mu^+\\mu^-$$ and $e^+e^-$ colliders by convoluting with the beam energy spread profile of the collider and the Breit-Wigner resonance profile of the signal. We assess their impact on both the Higgs signal and SM backgrounds for the leading decay channels $$h\\rightarrow b\\bar b,\\ WW^*$$. In conclusion, our study improves the existing analyses of the proposed future resonant Higgs factories and provides further guidance for the accelerator designs with respect to the physical goals.« less

Nqrs Data for C2H5NO2 (Subst. No. 0554)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C2H5NO2 (Subst. No. 0554)

Interlayer electron-phonon coupling in WSe2/hBN heterostructures

NASA Astrophysics Data System (ADS)

Jin, Chenhao; Kim, Jonghwan; Suh, Joonki; Shi, Zhiwen; Chen, Bin; Fan, Xi; Kam, Matthew; Watanabe, Kenji; Taniguchi, Takashi; Tongay, Sefaattin; Zettl, Alex; Wu, Junqiao; Wang, Feng

2017-02-01

Engineering layer-layer interactions provides a powerful way to realize novel and designable quantum phenomena in van der Waals heterostructures. Interlayer electron-electron interactions, for example, have enabled fascinating physics that is difficult to achieve in a single material, such as the Hofstadter's butterfly in graphene/boron nitride (hBN) heterostructures. In addition to electron-electron interactions, interlayer electron-phonon interactions allow for further control of the physical properties of van der Waals heterostructures. Here we report an interlayer electron-phonon interaction in WSe2/hBN heterostructures, where optically silent hBN phonons emerge in Raman spectra with strong intensities through resonant coupling to WSe2 electronic transitions. Excitation spectroscopy reveals the double-resonance nature of such enhancement, and identifies the two resonant states to be the A exciton transition of monolayer WSe2 and a new hybrid state present only in WSe2/hBN heterostructures. The observation of an interlayer electron-phonon interaction could open up new ways to engineer electrons and phonons for device applications.

In Situ Generation and Consumption of H2O2 by Bienzyme-Quantum Dots Bioconjugates for Improved Chemiluminescence Resonance Energy Transfer.

PubMed

Xu, Shuxia; Li, Xianming; Li, Chaobi; Li, Jialin; Zhang, Xinfeng; Wu, Peng; Hou, Xiandeng

2016-06-21

Exploration of quantum dots (QDs) as energy acceptors revolutionizes the current chemiluminescence resonance energy transfer (CRET), since QDs possess large Stokes shifts and high luminescence efficiency. However, the strong and high concentration of oxidant (typically H2O2) needed for luminol chemiluminescence (CL) reaction could cause oxidative quenching to QDs, thereby decreasing the CRET performance. Here we proposed the use of bienzyme-QDs bioconjugate as the energy acceptor for improved CRET sensing. Two enzymes, one for H2O2 generation (oxidase) and another for H2O2 consumption (horseradish peroxidase, HRP), were bioconjugated onto the surface of QDs. The bienzyme allowed fast in situ cascaded H2O2 generation and consumption, thus alleviating fluorescence quenching of QDs. The nanosized QDs accommodate the two enzymes in a nanometric range, and the CL reaction was confined on the surface of QDs accordingly, thereby amplifying the CL reaction rate and improving CRET efficiency. As a result, CRET efficiency of 30-38% was obtained; the highest CRET efficiency by far was obtained using QDs as the energy acceptor. The proposed CRET system could be explored for ultrasensitive sensing of various oxidase substrates (here exemplified with cholesterol, glucose, and benzylamine), allowing for quantitative measurement of a spectrum of metabolites with high sensitivity and specificity. Limits of detection (LOD, 3σ) for cholesterol, glucose, and benzylamine were found to be 0.8, 3.4, and 10 nM, respectively. Furthermore, multiparametric blood analysis (glucose and cholesterol) is demonstrated.

The origin of SH-wave resonance frequencies in sedimentary layers

NASA Astrophysics Data System (ADS)

van der Baan, Mirko

2009-09-01

Resonance frequencies are often analysed in geo-engineering studies to evaluate seismic risk and microzonation in urban areas. The Nakamura technique constitutes a popular approach that computes the spectral ratio of horizontal-to-vertical ground motion in ambient noise recordings to reveal the existence of any site resonance frequencies. Its theoretical basis remains however unclear with some authors arguing that the method de-emphasizes any Rayleigh-wave contributions and that the resonance frequencies are solely caused by vertically incident SH waves. Other authors explain the same resonance frequencies by the ellipticity of the fundamental Rayleigh wave. Recent numerical simulations reveal that the magnitude of the peak frequency is proportional to the relative portion of Love waves present. This study demonstrates that Love waves alone can be responsible for any observed resonance frequencies in sedimentary layers. Yet sharp SH-wave resonance frequencies are only excited by a source in the bedrock. These resonance frequencies are caused by inhomogeneous waves excited by the bedrock source that tunnel through the high-velocity bedrock to emerge in the low-velocity sediments with a very reduced range of slownesses. The resulting SH waves are then free to interfere constructively thereby creating the observed resonance frequencies. This general trigger mechanism leads to resonances that are almost offset independent. The resulting resonance frequencies map onto points of maximum curvature in the Love-wave phase-velocity dispersion curves at or just beyond the critical horizontal slowness. They can be analysed with the quarter-wavelength law if a large velocity contrast exists between the unconsolidated sediments and the bedrock. A minor modification of the quarter-wavelength law provides more accurate predictions, also for smaller velocity contrasts. Multisource simulations show that site amplification factors as determined by horizontal-over-vertical (H

Molecular basis for methoxyamine initiated mutagenesis. 1H nuclear magnetic resonance studies of base-modified oligodeoxynucleotides.

PubMed

Stone, M J; Nedderman, A N; Williams, D H; Lin, P K; Brown, D M

1991-12-05

In order to reach a more detailed understanding of the mechanism of the mutagenic action of methoxyamine and of N4-methoxycytidine and its 2'-deoxyribo-analogue, the solution structures of the self-complementary octanucleotide, d(CGAATTCG) and its analogues, d(CGAATCCG), d(CGAATMCG) and d(CGAATPCG) (designated 8mer-AT, 8mer-AC, 8mer-AM, and 8mer-AP, respectively), were investigated by 1H nuclear magnetic resonance spectroscopy; M is N4-methoxycytosine (mo4C) and P is an analogue, the bicyclic dihydropyrimido[4,5-c][1,2]oxazin-7-one, in which the N-O bond is held in the anti configuration with respect to N3 of the cytosine ring. Correlated spectroscopy and nuclear Overhauser spectroscopy allowed assignment of the base, anomeric and H2'/H2" protons in 8mers-AT, -AM and -AP, and showed that all three had features consistent with a regular B-DNA duplex structure. Duplex-to-coil transition temperatures were determined to be 52(+/- 2) degrees C (8mer-AT), 51(+/- 2) degrees C (8mer-AP), 32(+/- 2) degrees C (8mer-AM); on the chemical shift timescale, the melting transition was fast for 8mer-AT and 8mer-AP, but slow for 8mer-AM. Imino proton spectra were indicative of Watson-Crick base-pairing in 8mers-AT, -AP and -AM. The 8mer-AP duplex had a structure and melting characteristics virtually identical with those of the 8mer-AT duplex. The preferred syn configuration of the methoxyl group in M had a destabilising effect on the 8mer-AM duplex. At low temperatures, the A.M base-pair was in fast equilibrium between Watson-Crick and wobble configurations, with the methoxyl function anti-oriented, but the melting transition was accompanied by isomerization of the methoxyl group to the syn conformation. This syn-anti isomerization was the rate-determining step in the duplex-to-coil transition. The 8mer-AC oligomer did not form a stable duplex.

Analysis of a Precambrian resonance-stabilized day length

NASA Astrophysics Data System (ADS)

Bartlett, Benjamin C.; Stevenson, David J.

2016-06-01

During the Precambrian era, Earth's decelerating rotation would have passed a 21 h period that would have been resonant with the semidiurnal atmospheric thermal tide. Near this point, the atmospheric torque would have been maximized, being comparable in magnitude but opposite in direction to the lunar torque, halting Earth's rotational deceleration, maintaining a constant day length, as detailed by Zahnle and Walker (1987). We develop a computational model to determine necessary conditions for formation and breakage of this resonant effect. Our simulations show the resonance to be resilient to atmospheric thermal noise but suggest a sudden atmospheric temperature increase like the deglaciation period following a possible "snowball Earth" near the end of the Precambrian would break this resonance; the Marinoan and Sturtian glaciations seem the most likely candidates for this event. Our model provides a simulated day length over time that resembles existing paleorotational data, though further data are needed to verify this hypothesis.

Global Scenarios of Air Pollutant Emissions from Road Transport through to 2050

PubMed Central

Takeshita, Takayuki

2011-01-01

This paper presents global scenarios of sulphur dioxide (SO2), nitrogen oxides (NOx), and particulate matter (PM) emissions from road transport through to 2050, taking into account the potential impacts of: (1) the timing of air pollutant emission regulation implementation in developing countries; (2) global CO2 mitigation policy implementation; and (3) vehicle cost assumptions, on study results. This is done by using a global energy system model treating the transport sector in detail. The major conclusions are the following. First, as long as non-developed countries adopt the same vehicle emission standards as in developed countries within a 30-year lag, global emissions of SO2, NOx, and PM from road vehicles decrease substantially over time. Second, light-duty vehicles and heavy-duty trucks make a large and increasing contribution to future global emissions of SO2, NOx, and PM from road vehicles. Third, the timing of air pollutant emission regulation implementation in developing countries has a large impact on future global emissions of SO2, NOx, and PM from road vehicles, whereas there is a possibility that global CO2 mitigation policy implementation has a comparatively small impact on them. PMID:21845172

Comparison of the meat metabolite composition of Linwu and Pekin ducks using 600 MHz 1H nuclear magnetic resonance spectroscopy.

PubMed

Wang, Xiangrong; Fang, Chengkun; He, Jianhua; Dai, Qiuzhong; Fang, Rejun

2017-01-01

In an effort to further understand of the differences of meat flavor and texture between Linwu ducks and Pekin ducks at market age, we investigated the meat metabolite composition of the two breeds of ducks using 600 MHz 1 H nuclear magnetic resonance (NMR) spectroscopy. Comprehensive multivariate data analysis including principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), and orthogonal projection to latent structure-discriminant analysis (OPLS-DA) were applied to analyze the 1 H-NMR profiling data to identify the distinguishing metabolites of breast meat between two breeds of ducks. Compared with 42-d-old Pekin duck meat, breast from 72-d-old Linwu duck has higher concentration of anserine, carnosine, homocarnosine, and nicotinamide, but significantly lower concentration of succinate, creatine, and myo-inositol. These results contribute to a better understanding of the differences in meat metabolite composition between 72-d-old Linwu and 42-d-old Pekin ducks, which could be used to help assess the quality of duck meat as a food. © 2016 Poultry Science Association Inc.

Optical Absorption Spectra of Hydrogenated Microcrystalline Silicon Films by Resonant Photothermal Bending Spectroscopy

NASA Astrophysics Data System (ADS)

Kunii, Toshie; Yoshida, Norimitsu; Hori, Yasuro; Nonomura, Shuichi

2006-05-01

A resonant photothermal bending spectroscopy (PBS) is demonstrated for the measurement of absorption coefficient spectra in hydrogenated microcrystalline silicon (μc-Si:H) and hydrogenated microcrystalline cubic silicon carbide (μc-3C-SiC:H) films. The resonant vibration technique utilized in PBS establishes the sensitivity as α d˜ 5× 10-5 in a vacuum measurement. Appling resonant PBS to μc-Si:H films, a new extra absorption coefficient αex spectrum is observed from 0.6 to 1.2 eV. The αex spectrum has a peak at ˜1.0 eV, and the localized states inducing the αex are located ˜0.35 eV below the conduction band edge of μc-Si:H. A possible explanation for the observed localized state is that an oxidation produces weak bonds at the grain boundaries and/or amorphous silicon tissues. In μc-3C-SiC:H film, an optical band-gap energy of ˜2.2 eV was demonstrated assuming an indirect optical transition. The temperature coefficient of the optical band-gap energy was ˜2.3× 10-4 eV K-1. The αex spectrum of μc-3C-SiC:H film is plateau-shaped and its magnitude is in accord with an increase in grain size.

Magnetic Resonance Imaging of Electrolysis.

PubMed Central

Meir, Arie; Hjouj, Mohammad; Rubinsky, Liel; Rubinsky, Boris

2015-01-01

This study explores the hypothesis that Magnetic Resonance Imaging (MRI) can image the process of electrolysis by detecting pH fronts. The study has relevance to real time control of cell ablation with electrolysis. To investigate the hypothesis we compare the following MR imaging sequences: T1 weighted, T2 weighted and Proton Density (PD), with optical images acquired using pH-sensitive dyes embedded in a physiological saline agar solution phantom treated with electrolysis and discrete measurements with a pH microprobe. We further demonstrate the biological relevance of our work using a bacterial E. Coli model, grown on the phantom. The results demonstrate the ability of MRI to image electrolysis produced pH changes in a physiological saline phantom and show that these changes correlate with cell death in the E. Coli model grown on the phantom. The results are promising and invite further experimental research. PMID:25659942

Monitoring microbial metabolites using an inductively coupled resonance circuit

PubMed Central

Karnaushenko, Daniil; Baraban, Larysa; Ye, Dan; Uguz, Ilke; Mendes, Rafael G.; Rümmeli, Mark H.; de Visser, J. Arjan G. M.; Schmidt, Oliver G.; Cuniberti, Gianaurelio; Makarov, Denys

2015-01-01

We present a new approach to monitor microbial population dynamics in emulsion droplets via changes in metabolite composition, using an inductively coupled LC resonance circuit. The signal measured by such resonance detector provides information on the magnetic field interaction with the bacterial culture, which is complementary to the information accessible by other detection means, based on electric field interaction, i.e. capacitive or resistive, as well as optical techniques. Several charge-related factors, including pH and ammonia concentrations, were identified as possible contributors to the characteristic of resonance detector profile. The setup enables probing the ionic byproducts of microbial metabolic activity at later stages of cell growth, where conventional optical detection methods have no discriminating power. PMID:26264183

Monitoring microbial metabolites using an inductively coupled resonance circuit

NASA Astrophysics Data System (ADS)

Karnaushenko, Daniil; Baraban, Larysa; Ye, Dan; Uguz, Ilke; Mendes, Rafael G.; Rümmeli, Mark H.; de Visser, J. Arjan G. M.; Schmidt, Oliver G.; Cuniberti, Gianaurelio; Makarov, Denys

2015-08-01

We present a new approach to monitor microbial population dynamics in emulsion droplets via changes in metabolite composition, using an inductively coupled LC resonance circuit. The signal measured by such resonance detector provides information on the magnetic field interaction with the bacterial culture, which is complementary to the information accessible by other detection means, based on electric field interaction, i.e. capacitive or resistive, as well as optical techniques. Several charge-related factors, including pH and ammonia concentrations, were identified as possible contributors to the characteristic of resonance detector profile. The setup enables probing the ionic byproducts of microbial metabolic activity at later stages of cell growth, where conventional optical detection methods have no discriminating power.

Ion cyclotron resonance heating for tungsten control in various JET H-mode scenarios

NASA Astrophysics Data System (ADS)

Goniche, M.; Dumont, R. J.; Bobkov, V.; Buratti, P.; Brezinsek, S.; Challis, C.; Colas, L.; Czarnecka, A.; Drewelow, P.; Fedorczak, N.; Garcia, J.; Giroud, C.; Graham, M.; Graves, J. P.; Hobirk, J.; Jacquet, P.; Lerche, E.; Mantica, P.; Monakhov, I.; Monier-Garbet, P.; Nave, M. F. F.; Noble, C.; Nunes, I.; Pütterich, T.; Rimini, F.; Sertoli, M.; Valisa, M.; Van Eester, D.; Contributors, JET

2017-05-01

Ion cyclotron resonance heating (ICRH) in the hydrogen minority scheme provides central ion heating and acts favorably on the core tungsten transport. Full wave modeling shows that, at medium power level (4 MW), after collisional redistribution, the ratio of power transferred to the ions and the electrons vary little with the minority (hydrogen) concentration n H/n e but the high-Z impurity screening provided by the fast ions temperature increases with the concentration. The power radiated by tungsten in the core of the JET discharges has been analyzed on a large database covering the 2013-2014 campaign. In the baseline scenario with moderate plasma current (I p = 2.5 MA) ICRH modifies efficiently tungsten transport to avoid its accumulation in the plasma centre and, when the ICRH power is increased, the tungsten radiation peaking evolves as predicted by the neo-classical theory. At higher current (3-4 MA), tungsten accumulation can be only avoided with 5 MW of ICRH power with high gas injection rate. For discharges in the hybrid scenario, the strong initial peaking of the density leads to strong tungsten accumulation. When this initial density peaking is slightly reduced, with an ICRH power in excess of 4 MW,very low tungsten concentration in the core (˜10-5) is maintained for 3 s. MHD activity plays a key role in tungsten transport and modulation of the tungsten radiation during a sawtooth cycle is correlated to the fishbone activity triggered by the fast ion pressure gradient.

The pH-dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance

PubMed Central

Tabares, Leandro C.; Gätjens, Jessica; Hureau, Christelle; Burrell, Matthew R.; Bowater, Laura; Pecoraro, Vincent L.; Bornemann, Stephen; Un, Sun

2009-01-01

A high-field electron paramagnetic resonance (HFEPR) study of oxalate decarboxylase (OxdC) is reported. OxdC breaks down oxalate to carbon dioxide and formate and possesses two distinct manganese(II) binding sites, referred to as site-1 and -2. The Mn(II) zero-field interaction was used to probe the electronic state of the metal ion and to examine chemical/mechanistic roles of each of the Mn(II) centers. High magnetic-fields were exploited not only to resolve the two sites, but also to measure accurately the Mn(II) zero-field parameters of each of the sites. The spectra exhibited surprisingly complex behavior as a function of pH. Six different species were identified based on their zero-field interactions, two corresponding to site-1 and four states to site-2. The assignments were verified using a mutant that only affected site-1. The speciation data determined from the HFEPR spectra for site -2 was consistent with a simple triprotic equilibrium model, while the pH dependence of site-1 could be described by a single pKa. This pH dependence was independent of the presence of the His-tag and of whether the preparations contained 1.2 or 1.6 Mn per subunit. Possible structures of the six species are proposed based on spectroscopic data from model complexes and existing protein crystallographic structures obtained at pH 8 are discussed. Although site-1 has been identified as the active site and no role has been assigned to site-2, the pronounced changes in the electronic structure of the latter and its pH behavior, which also matches the pH-dependent activity of this enzyme, suggests that even if the conversion of oxalate to formate is carried out at site-1, site-2 likely plays a catalytically relevant role. PMID:19505123

Estimates of future water demand for selected water-service areas in the Upper Duck River basin, central Tennessee; with a section on Methodology used to develop population forecasts for Bedford, Marshall, and Maury counties, Tennessee, from 1993 through 2050

USGS Publications Warehouse

Hutson, S.S.; Schwarz, G.E.

1996-01-01

Estimates of future water demand were determined for selected water-service areas in the upper Duck River basin in central Tennessee through the year 2050. The Duck River is the principal source of publicly-supplied water in the study area providing a total of 15.6 million gallons per day (Mgal/d) in 1993 to the cities of Columbia, Lewisburg, Shelbyville, part of southern Williamson County, and several smaller communities. Municipal water use increased 19 percent from 1980 to 1993 (from 14.5 to 17.2 Mgal/d). Based on certain assumptions about socioeconomic conditions and future development in the basin, water demand should continue to increase through 2050. Projections of municipal water demand for the study area from 1993 to 2015 were made using econometric and single- coefficient (unit-use) requirement models of the per capita type. The models are part of the Institute for Water Resources-Municipal and Industrial Needs System, IWR-MAIN. Socioeconomic data for 1993 were utilized to calibrate the models. Projections of water demand in the study area from 2015 to 2050 were made using a single- coefficient requirement model. A gross per capita use value (unit-requirement) was estimated for each water-service area based on the results generated by IWR-MAIN for year 2015. The gross per capita estimate for 2015 was applied to population projections for year 2050 to calculate water demand. Population was projected using the log-linear form of the Box-Cox regression model. Water demand was simulated for two scenarios. The scenarios were suggested by various planning agencies associated with the study area. The first scenario reflects a steady growth pattern based on present demographic and socioeconomic conditions in the Bedford, Marshall, and Maury/southern Williamson water-service areas. The second scenario considers steady growth in the Bedford and Marshall water-service areas and additional industrial and residential development in the Maury/southern Williamson water

Projected prevalence of US adults with self-reported doctor-diagnosed arthritis, 2005 to 2050.

PubMed

Fontaine, Kevin R; Haaz, Steffany; Heo, Moonseong

2007-05-01

Using population-based survey data from the 2003 Behavioral Risk Factor Surveillance Survey (BRFSS), we estimated the population prevalence of self-reported, doctor-diagnosed arthritis in the US from 2005 to 2050. Projected arthritis-prevalence data were estimated in 5-year increments along sex- and age-specific categories by multiplying the 2003 BRFSS arthritis prevalence data by the sex-stratified US Census projections. During this 45-year period, we estimate that the total number of US adults aged 20 years or older with arthritis will increase from 60 million to 96 million, a 1.6-fold increase. The increase is projected to be greater in those aged 65 years or older (a 2.3-fold increase) than for those aged 20 to 65 (a 1.3-fold increase). Given increases in the prevalence of known arthritis risk factors (e.g., obesity, Hispanic origin) our projections might underestimate the prevalence of arthritis in the coming years.

Secondary resonances and the boundary of effective stability of Trojan motions

NASA Astrophysics Data System (ADS)

Páez, Rocío Isabel; Efthymiopoulos, Christos

2018-02-01

One of the most interesting features in the libration domain of co-orbital motions is the existence of secondary resonances. For some combinations of physical parameters, these resonances occupy a large fraction of the domain of stability and rule the dynamics within the stable tadpole region. In this work, we present an application of a recently introduced `basic Hamiltonian model' H_b for Trojan dynamics (Páez and Efthymiopoulos in Celest Mech Dyn Astron 121(2):139, 2015; Páez et al. in Celest Mech Dyn Astron 126:519, 2016): we show that the inner border of the secondary resonance of lowermost order, as defined by H_b, provides a good estimation of the region in phase space for which the orbits remain regular regardless of the orbital parameters of the system. The computation of this boundary is straightforward by combining a resonant normal form calculation in conjunction with an `asymmetric expansion' of the Hamiltonian around the libration points, which speeds up convergence. Applications to the determination of the effective stability domain for exoplanetary Trojans (planet-sized objects or asteroids) which may accompany giant exoplanets are discussed.

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

PubMed

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

2016-04-01

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

Multifunctional envelope-type mesoporous silica nanoparticles for pH-responsive drug delivery and magnetic resonance imaging.

PubMed

Chen, Yan; Ai, Kelong; Liu, Jianhua; Sun, Guoying; Yin, Qi; Lu, Lehui

2015-08-01

A novel multifunctional envelope-type mesoporous silica nanoparticle (MEMSN) system combining the merits of pH-responsiveness, non-toxicity and biological specificity, is demonstrated for drug delivery and magnetic resonance imaging (MRI). This system is constructed by immobilizing acetals on the surface of mesoporous silica, and then coupling to ultra small lanthanide doped upconverting nanoparticle, which act as a gate keeper. The anticancer drug DOX is thus locked in the pores, and its burst release can be achieved under acidic environment on account of the hydrolyzation reactions of acetals. The nanogated drug release system is highly efficacious for cancer therapy both in vitro and in vivo. Importantly, the nanocomposite could be harmlessly metabolized and degraded into apparently non-toxic products within a few days. The nanoscale effect of the system allows for passive tumor targeting and increased tumor accumulation of the probes via the enhanced permeation and retention (EPR) effect, which is visualized by MRI in vivo. Therefore, such nanosystem should be of great significance in the future development of highly efficient and tumor targeted drug delivery vehicles for cancer chemotherapy. Copyright © 2015 Elsevier Ltd. All rights reserved.

Noise-enhanced Parametric Resonance in Perturbed Galaxies

NASA Astrophysics Data System (ADS)

Sideris, Ioannis V.; Kandrup, Henry E.

2004-02-01

This paper describes how parametric resonances associated with a galactic potential subjected to relatively low-amplitude, strictly periodic time-dependent perturbations can be impacted by pseudo-random variations in the pulsation frequency, modeled as colored noise. One aim thereby is to allow for the effects of a changing oscillation frequency as the density distribution associated with a galaxy evolves during violent relaxation. Another is to mimic the possible effects of internal substructures, satellite galaxies, and/or a high-density environment. The principal conclusions are that allowing for a variable frequency does not vitiate the effects of parametric resonance, and that, in at least some cases, such variations can increase the overall importance of parametric resonance associated with systematic pulsations. In memory of Professor H. E. Kandrup, a brilliant scientist, excellent teacher, and good friend. His genius and sense of humor will be greatly missed.

3.0T 1H magnetic resonance spectroscopy for assessment of steatosis in patients with chronic hepatitis C

PubMed Central

Zhang, Qian; Zhang, Hui-Mao; Qi, Wen-Qian; Zhang, Yong-Gui; Zhao, Ping; Jiao, Jian; Wang, Jiang-Bin; Zhang, Chun-Yu

2015-01-01

AIM: To investigate the utility of 1H magnetic resonance spectroscopy (1H MRS) as a noninvasive test for steatosis in patients infected with hepatitis C virus. METHODS: Ninety patients with chronic hepatitis C and pathology data underwent 3.0T 1H MRS, and the results of MRS and pathological analysis were compared. RESULTS: This group of patients included 26 people with mild fatty liver (28.89%), 16 people with moderate fatty liver (17.78%), 18 people with severe fatty liver (20.0%), and 30 people without fatty liver (33.33%). The water peak was near 4.7 parts per million (ppm), and the lipid peak was near 1.3 ppm. Analysis of variance revealed that differences in the lipid peak, the area under the lipid peak, ratio of the lipid peak to the water peak, and ratio of the area under the lipid peak to the area under the water peak were statistically significant among the groups. Specifically, as the severity of fatty liver increased, the value of each index increased correspondingly. In the pairwise comparisons, the mean lipid peak, area under the lipid peak, ratio of the lipid peak to the water peak, and ratio of the area under the lipid peak to the area under the water peak were significantly different between the no fatty liver and moderate fatty liver groups, whereas no differences were noted between the severe fatty liver group and the mild or moderate fatty liver group. Area under the ROC curve (AUC) of area ratio in lipid and water and ratio in lipid and water in the no fatty liver group to mild fatty liver group, mild fatty liver group to moderate fatty liver group, and moderate fatty liver disease group to severe fatty liver group, were 0.705, 0.900, and 0.975, respectively. CONCLUSION: 1H MRS is a noninvasive technique that can be used to provide information on the effect of liver steatosis on hepatic metabolic processes. This study indicates that the 1H MRS can be used as an indicator of steatosis in patients with chronic hepatitis C. PMID:26074712

Conformation-selective resonant photoelectron imaging from dipole-bound states of cold 3-hydroxyphenoxide

NASA Astrophysics Data System (ADS)

Zhu, Guo-Zhu; Huang, Dao-Ling; Wang, Lai-Sheng

2017-07-01

We report a photoelectron imaging and photodetachment study of cryogenically cooled 3-hydroxyphenoxide (3HOP) anions, m-HO(C6H4)O-. In a previous preliminary study, two conformations of the cold 3HOP anions with different dipole bound states were observed [D. L. Huang et al., J. Phys. Chem. Lett. 6, 2153 (2015)]. Five near-threshold vibrational resonances were revealed in the photodetachment spectrum from the dipole-bound excited states of the two conformations. Here, we report a more extensive investigation of the two conformers with observation of thirty above-threshold vibrational resonances in a wide spectral range between 18 850 and 19 920 cm-1 (˜1000 cm-1 above the detachment thresholds). By tuning the detachment laser to the vibrational resonances in the photodetachment spectrum, high-resolution conformation-selective resonant photoelectron images are obtained. Using information of the autodetachment channels and theoretical vibrational frequencies, we are able to assign the resonant peaks in the photodetachment spectrum: seventeen are assigned to vibrational levels of anti-3HOP, eight to syn-3HOP, and five to overlapping vibrational levels of both conformers. From the photodetachment spectrum and the conformation-selective resonant photoelectron spectra, we have obtained fourteen fundamental vibrational frequencies for the neutral syn- and anti-m-HO(C6H4)Oṡ radicals. The possibility to produce conformation-selected neutral beams using resonant photodetachment via dipole-bound excited states of anions is discussed.

Isotopic Resonance Hypothesis: Experimental Verification by Escherichia coli Growth Measurements

NASA Astrophysics Data System (ADS)

Xie, Xueshu; Zubarev, Roman A.

2015-03-01

Isotopic composition of reactants affects the rates of chemical and biochemical reactions. As a rule, enrichment of heavy stable isotopes leads to progressively slower reactions. But the recent isotopic resonance hypothesis suggests that the dependence of the reaction rate upon the enrichment degree is not monotonous. Instead, at some ``resonance'' isotopic compositions, the kinetics increases, while at ``off-resonance'' compositions the same reactions progress slower. To test the predictions of this hypothesis for the elements C, H, N and O, we designed a precise (standard error +/-0.05%) experiment that measures the parameters of bacterial growth in minimal media with varying isotopic composition. A number of predicted resonance conditions were tested, with significant enhancements in kinetics discovered at these conditions. The combined statistics extremely strongly supports the validity of the isotopic resonance phenomenon (p << 10-15). This phenomenon has numerous implications for the origin of life studies and astrobiology, and possible applications in agriculture, biotechnology, medicine, chemistry and other areas.

Double cross-polarization MAS NMR in the assignment of abundant-spin resonances: ¹⁹F-{²⁹Si}-¹⁹F FBCP/MAS NMR of fluoride ions incorporated in calcium silicate hydrate (C-S-H) phases.

PubMed

Tran, Thuan T; Bildsøe, Henrik; Jakobsen, Hans J; Skibsted, Jørgen

2012-08-01

A new version of the double cross-polarization MAS NMR experiment, which transfers polarization Forth and Back (FBCP) between high- and low-γ spin nuclei, is presented. The pulse sequence is demonstrated by ¹⁹F-{²⁹Si}-¹⁹F and ¹⁹F-{¹³C}-¹⁹F FBCP NMR spectra of a mixture of cuspidine (Ca₄Si₂O₇F₂) and Teflon (-CF₂-)(n). The experiment is useful for assignment of the high-γ spin resonances, as demonstrated by ¹⁹F-{²⁹Si}-¹⁹F FBCP NMR of a fluoride-containing calcium-silicate-hydrate (C-S-H) phase, where the ¹⁹F resonance from fluoride ions incorporated in the interlayer structure of the C-S-H phase is identified. Copyright © 2012 Elsevier Inc. All rights reserved.

Bevacizumab impairs oxidative energy metabolism and shows antitumoral effects in recurrent glioblastomas: a 31P/1H MRSI and quantitative magnetic resonance imaging study.

PubMed

Hattingen, Elke; Jurcoane, Alina; Bähr, Oliver; Rieger, Johannes; Magerkurth, Jörg; Anti, Sandra; Steinbach, Joachim P; Pilatus, Ulrich

2011-12-01

Bevacizumab shows unprecedented rates of response in recurrent glioblastomas (GBM), but the detailed mechanisms are still unclear. We employed in vivo magnetic resonance spectroscopic imaging (MRSI) and quantitative magnetic resonance imaging to investigate whether bevacizumab alters oxygen and energy metabolism and whether this effect has antitumoral activity in recurrent GBM. (31)P and (1)H MRSI, apparent diffusion coefficient (ADC), and high-resolution T2 and T2' mapping (indirect marker of oxygen extraction) were investigated in 16 patients with recurrent GBM at 3 Tesla before and 1.5-2 months after initiation of therapy with bevacizumab. Changes of metabolite concentrations and of the quantitative values in the tumor and normal appearing brain tissue were calculated. The Wilcoxon signed-ranks test was used to evaluate differences for tumor/edema versus control as well as changes before versus after commencement of therapy. Survival analyses were performed for significant parameters. Tumor T2', pH, ADC, and T2 decreased significantly in patients responding to bevacizumab therapy (n = 10). Patients with at least 25% T2' decrease during treatment showed longer progression-free and overall survival durations. Levels of high-energy metabolites were lower at baseline; these persisted under therapy. Glycerophosphoethanolamine as catabolic phospholipid metabolite increased in responders. The MRSI data support the hypothesis that bevacizumab induces relative tumor hypoxia (T2' decrease) and affects energy homeostasis in recurrent GBM, suggesting that bevacizumab impairs vascular function. The antiangiogenic effect of bevacizumab is predictive of better outcome and seems to induce antitumoral activity in the responding GBMs.

Resonant Terahertz Absorption Using Metamaterial Structures

DTIC Science & Technology

2012-12-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited RESONANT TERAHERTZ...Second Reader: James H. Newman THIS PAGE INTENTIONALLY LEFT BLANK i REPORT DOCUMENTATION PAGE Form Approved OMB No. 0704–0188 Public reporting... public release; distribution is unlimited 12b. DISTRIBUTION CODE 13. ABSTRACT (maximum 200 words) The Sensor Research Lab at the Naval Postgraduate

Rate contants for CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H and CF{sub 3}H + H {yields} CF{sub 3} + H{sub 2} reactions in the temperature range 1100-1600 K.

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

Hranisavljevic, J.; Michael, V.; Chemistry

1998-09-24

The shock tube technique coupled with H-atom atomic resonance absorption spectrometry has been used to study the reactions (1) CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H and (2) CF{sub 3}H + H{yields} CF{sub 3} + H{sub 2} over the temperature ranges 1168-1673 K and 1111-1550 K, respectively. The results can be represented by the Arrhenius expressions k1 = 2.56 x 10{sup -11} exp(-8549K/T) and k2 = 6.13 x 10{sup -11} exp(-7364K/T), both in cm3 molecule-1 s-1. Equilibrium constants were calculated from the two Arrhenius expressions in the overlapping temperature range, and good agreement was obtained with themore » literature values. The rate constants for reaction 2 were converted into rate constants for reaction 1 using literature equilibrium constants. These data are indistinguishable from direct k1 measurements, and an Arrhenius fit for the joint set is k{sub 1} = 1.88 x 10{sup -11} exp(-8185K/T) cm3 molecule-1 s-1. The CF{sub 3} + H{sub 2} {yields} CF{sub 3}H + H reaction was further modeled using conventional transition-state theory, which included ab initio electronic structure determinations of reactants, transition state, and products.« less

The effect of whole-body resonance vibration in a porcine model of spinal cord injury.

PubMed

Streijger, Femke; Lee, Jae H T; Chak, Jason; Dressler, Dan; Manouchehri, Neda; Okon, Elena B; Anderson, Lisa M; Melnyk, Angela D; Cripton, Peter A; Kwon, Brian K

2015-06-15

Whole-body vibration has been identified as a potential stressor to spinal cord injury (SCI) patients during pre-hospital transportation. However, the effect that such vibration has on the acutely injured spinal cord is largely unknown, particularly in the frequency domain of 5 Hz in which resonance of the spine occurs. The objective of the study was to investigate the consequences of resonance vibration on the injured spinal cord. Using our previously characterized porcine model of SCI, we subjected animals to resonance vibration (5.7±0.46 Hz) or no vibration for a period of 1.5 or 3.0 h. Locomotor function was assessed weekly and cerebrospinal fluid (CSF) samples were collected to assess different inflammatory and injury severity markers. Spinal cords were evaluated histologically to quantify preserved white and gray matter. No significant differences were found between groups for CSF levels of monocyte chemotactic protein-1, interleukin 6 (IL-6) and lL-8. Glial fibrillary acidic protein levels were lower in the resonance vibration group, compared with the non-vibrated control group. Spared white matter tissue was increased within the vibrated group at 7 d post-injury but this difference was not apparent at the 12-week time-point. No significant difference was observed in locomotor recovery following resonance vibration of the spine. Here, we demonstrate that exposure to resonance vibration for 1.5 or 3 h following SCI in our porcine model is not detrimental to the functional or histological outcomes. Our observation that a 3.0-h period of vibration at resonance frequency induces modest histological improvement at one week post-injury warrants further study.

Tunable localized surface plasmon resonances in one-dimensional h-BN/graphene/h-BN quantum-well structure

NASA Astrophysics Data System (ADS)

Kaibiao, Zhang; Hong, Zhang; Xinlu, Cheng

2016-03-01

The graphene/hexagonal boron-nitride (h-BN) hybrid structure has emerged to extend the performance of graphene-based devices. Here, we investigate the tunable plasmon in one-dimensional h-BN/graphene/h-BN quantum-well structures. The analysis of optical response and field enhancement demonstrates that these systems exhibit a distinct quantum confinement effect for the collective oscillations. The intensity and frequency of the plasmon can be controlled by the barrier width and electrical doping. Moreover, the electron doping and the hole doping lead to very different results due to the asymmetric energy band. This graphene/h-BN hybrid structure may pave the way for future optoelectronic devices. Project supported by the National Natural Science Foundation of China (Grant Nos. 11474207 and 11374217) and the Scientific Research Fund of Sichuan University of Science and Engineering, China (Grant No. 2014PY07).

Primary and secondary relaxation process in plastically crystalline cyanocyclohexane studied by 2H nuclear magnetic resonance. I.

PubMed

Micko, B; Lusceac, S A; Zimmermann, H; Rössler, E A

2013-02-21

We study the main (α-) and secondary (β-) relaxation in the plastically crystalline (PC) phase of cyanocyclohexane by various 2H nuclear magnetic resonance (NMR) methods (line-shape, spin-lattice relaxation, stimulated echo, and two-dimensional spectra) above and below the glass transition temperature T(g) = 134 K. Our results regarding the α-process demonstrate that molecular motion is not governed by the symmetry of the lattice. Rather it is similar to the one reported for structural glass formers and can be modeled by a reorientation proceeding via a distribution of small and large angular jumps. A solid-echo line-shape analysis regarding the β-process below T(g) yields again very similar results when compared to those of the structural glass formers ethanol and toluene. Hence we cannot confirm an intramolecular origin for the β-process in cyanocyclohexane. The fast β-process in the PC phase allows for the first time a detailed 2H NMR study of the process also at T > T(g): an additional minimum in the spin-lattice relaxation time reflecting the β-process is found. Furthermore the solid-echo spectra show a distinct deviation from the rigid limit Pake pattern, which allows a direct determination of the temperature dependent spatial restriction of the process. In Part II of this work, a quantitative analysis is carried out, where we demonstrate that within the model of a "wobbling in a cone" the mean cone angle increases above T(g) and the corresponding relaxation strength is compared to dielectric results.

Historical and projected coastal Louisiana land changes: 1978-2050

USGS Publications Warehouse

Barras, John; Beville, Shelly; Britsch, Del; Hartley, Stephen; Hawes, Suzanne; Johnston, James; Kemp, Paul; Kinler, Quin; Martucci, Antonio; Porthouse, Jon; Reed, Denise; Roy, Kevin; Sapkota, Sijan; Suhayda, Joseph

2003-01-01

An important component of the Louisiana Coastal Area (LCA) Comprehensive Coastwide Ecosystem Restoration Study is the projection of a “future condition” for the Louisiana coast if no further restoration measures were adopted. Such a projection gives an idea of what the future might hold without implementation of the LCA plan and provides a reference against which various ecosystem restoration proposals can be assessed as part of the planning process. One of the most fundamental measures of ecosystem degradation in coastal Louisiana has been the conversion of land (mostly emergent vegetated habitat) to open water. Thus, the projection of the future condition of the ecosystem must be based upon the determination of future patterns of land and water. To conduct these projections, a multidisciplinary LCA Land Change Study Group was formed that included individuals from agencies and academia with expertise in remote sensing, geographic information systems (GIS), ecosystem processes, and coastal land loss. Methods were based upon those used in prior studies for Coast 2050 (Louisiana Coastal Wetlands Conservation and Restoration Task Force [LCWCRTF] and the Wetlands Conservation and Restoration Authority 1998, 1999) and modified as described here to incorporate an improved understanding of coastal land loss and land gain processes with more advanced technical capabilities. The basic approach is to use historical data to assess recent trends in land loss and land gain and to project those changes into the future, taking into account spatial variations in the patterns and rates of land loss and land gain. This approach is accomplished by developing a base map, assessing and delineating areas of similar land change (polygons), and projecting changes into the future. This report describes the methodology and compares the current land change projection to previous projections.

Ratiometric pH Imaging with a CoII2 MRI Probe via CEST Effects of Opposing pH Dependences (Postprint)

DTIC Science & Technology

2017-10-13

7b08574 14. ABSTRACT (Maximum 200 words) We report a Co2-based magnetic resonance (MR) probe that enables the ratiometric quantitation and imaging of...ratios of CEST peak intensities at 104 and 64 ppm are correlated with solution pH in the physiological range 6.5−7.6 to construct a linear calibration...magnetic resonance (MR); ratiometric quantitation ; chemical exchange saturation transfer (CEST); carboxamide; hydroxyl-substituted bisphosphonate

Vegetation carbon sequestration in Chinese forests from 2010 to 2050.

PubMed

He, Nianpeng; Wen, Ding; Zhu, Jianxing; Tang, Xuli; Xu, Li; Zhang, Li; Hu, Huifeng; Huang, Mei; Yu, Guirui

2017-04-01

Forests store a large part of the terrestrial vegetation carbon (C) and have high C sequestration potential. Here, we developed a new forest C sequestration (FCS) model based on the secondary succession theory, to estimate vegetation C sequestration capacity in China's forest vegetation. The model used the field measurement data of 3161 forest plots and three future climate scenarios. The results showed that logistic equations provided a good fit for vegetation biomass with forest age in natural and planted forests. The FCS model has been verified with forest biomass data, and model uncertainty is discussed. The increment of vegetation C storage in China's forest vegetation from 2010 to 2050 was estimated as 13.92 Pg C, while the average vegetation C sequestration rate was 0.34 Pg C yr -1 with a 95% confidence interval of 0.28-0.42 Pg C yr -1 , which differed significantly between forest types. The largest contributor to the increment was deciduous broadleaf forest (37.8%), while the smallest was deciduous needleleaf forest (2.7%). The vegetation C sequestration rate might reach its maximum around 2020, although vegetation C storage increases continually. It is estimated that vegetation C sequestration might offset 6-8% of China's future emissions. Furthermore, there was a significant negative relationship between vegetation C sequestration rate and C emission rate in different provinces of China, suggesting that developed provinces might need to compensate for undeveloped provinces through C trade. Our findings will provide valuable guidelines to policymakers for designing afforestation strategies and forest C trade in China. © 2016 John Wiley & Sons Ltd.

NQRS Data for C7H8Cl3Osb (Subst. No. 1005)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C7H8Cl3OSb (Subst. No. 1005)

pH recycling aqueous two-phase systems applied in extraction of Maitake β-Glucan and mechanism analysis using low-field nuclear magnetic resonance.

PubMed

Hou, Huiyun; Cao, Xuejun

2015-07-31

In this paper, a recycling aqueous two-phase systems (ATPS) based on two pH-response copolymers PADB and PMDM were used in purification of β-Glucan from Grifola frondosa. The main parameters, such as polymer concentration, type and concentration of salt, extraction temperature and pH, were investigated to optimize partition conditions. The results demonstrated that β-Glucan was extracted into PADB-rich phase, while impurities were extracted into PMDM-rich phase. In this 2.5% PADB/2.5% PMDM ATPS, 7.489 partition coefficient and 96.92% extraction recovery for β-Glucan were obtained in the presence of 30mmol/L KBr, at pH 8.20, 30°C. The phase-forming copolymers could be recycled by adjusting pH, with recoveries of over 96.0%. Furthermore, the partition mechanism of Maitake β-Glucan in PADB/PMDM aqueous two-phase systems was studied. Fourier transform infrared spectra, ForteBio Octet system and low-field nuclear magnetic resonance (LF-NMR) were introduced for elucidating the partition mechanism of β-Glucan. Especially, LF-NMR was firstly used in the mechanism analysis in partition of aqueous two-phase systems. The change of transverse relaxation time (T2) in ATPS could reflect the interaction between polymers and β-Glucan. Copyright © 2015 Elsevier B.V. All rights reserved.

Assessing the global warming potential of human settlement expansion in a mesic temperate landscape from 2005 to 2050.

PubMed

Reinmann, Andrew B; Hutyra, Lucy R; Trlica, Andrew; Olofsson, Pontus

2016-03-01

Expansion of human settlements is an important driver of global environmental change that causes land use and land cover change (LULCC) and alters the biophysical nature of the landscape and climate. We use the state of Massachusetts, United States (U.S.) to present a novel approach to quantifying the effects of projected expansion of human settlements on the biophysical nature of the landscape. We integrate nationally available datasets with the U.S. Environmental Protection Agency's Integrated Climate and Land Use Scenarios model to model albedo and C storage and uptake by forests and vegetation within human settlements. Our results indicate a 4.4 to 14% decline in forest cover and a 35 to 40% increase in developed land between 2005 and 2050, with large spatial variability. LULCC is projected to reduce rates of forest C sequestration, but our results suggest that vegetation within human settlements has the potential to offset a substantial proportion of the decline in the forest C sink and may comprise up to 35% of the terrestrial C sink by 2050. Changes in albedo and terrestrial C fluxes are expected to result in a global warming potential (GWP) of +0.13 Mg CO2-C-equivalence ha(-1)year(-1) under the baseline trajectory, which is equivalent to 17% of the projected increase in fossil fuel emissions. Changes in terrestrial C fluxes are generally the most important driver of the increase in GWP, but albedo change becomes an increasingly important component where housing densities are higher. Expansion of human settlements is the new face of LULCC and our results indicate that when quantifying the biophysical response it is essential to consider C uptake by vegetation within human settlements and the spatial variability in the influence of C fluxes and albedo on changes in GWP. Copyright © 2015 Elsevier B.V. All rights reserved.

Intracellularly monitoring/imaging the release of doxorubicin from pH-responsive nanoparticles using Förster resonance energy transfer.

PubMed

Chen, Ko-Jie; Chiu, Ya-Ling; Chen, Yu-Ming; Ho, Yi-Cheng; Sung, Hsing-Wen

2011-04-01

Stimuli-responsive nanoparticles (NPs) have been receiving much attention as a drug-delivery vehicle for therapeutic applications; once internalized into cells, the intracellular fate of NPs and their drug release behavior in response to local stimuli must be understood for efficient delivery of therapeutics. In this study, we prepared pH-responsive doxorubicin (DOX)-loaded NPs, made of N-palmitoyl chitosan bearing a Cy5 moiety (Cy5-NPCS), as an anticancer delivery device. The results of our molecular dynamic simulations showed that the ability of Cy5-NPCS to self-associate offered the close proximity between the donor (DOX) and the acceptor (Cy5) required for Förster resonance energy transfer (FRET), while the pH-driven structure transition prescribed the on-to-off switch of the energy transfer. The caveolae-mediated pathway played a major role in the internalization of NPCS NPs. Using the concept of FRET, we found that the DOX fluorescence in the cytosol was first seen when NPCS NPs were present in the slightly acidic early endosomes. Following NPCS NPs trafficking into a more acidic organelle (late endosomes/lysosomes), a more evident release of DOX into the cytosol was observed; the released DOX was then gradually accumulated in the cell nuclei, leading to a significant cytotoxicity. Understanding the fate of NPs with respect to their intracellular localization and drug release behavior is crucial for the rational design of drug carriers. Copyright © 2010 Elsevier Ltd. All rights reserved.

Locally adaptive, spatially explicit projection of US population for 2030 and 2050.

PubMed

McKee, Jacob J; Rose, Amy N; Bright, Edward A; Huynh, Timmy; Bhaduri, Budhendra L

2015-02-03

Localized adverse events, including natural hazards, epidemiological events, and human conflict, underscore the criticality of quantifying and mapping current population. Building on the spatial interpolation technique previously developed for high-resolution population distribution data (LandScan Global and LandScan USA), we have constructed an empirically informed spatial distribution of projected population of the contiguous United States for 2030 and 2050, depicting one of many possible population futures. Whereas most current large-scale, spatially explicit population projections typically rely on a population gravity model to determine areas of future growth, our projection model departs from these by accounting for multiple components that affect population distribution. Modeled variables, which included land cover, slope, distances to larger cities, and a moving average of current population, were locally adaptive and geographically varying. The resulting weighted surface was used to determine which areas had the greatest likelihood for future population change. Population projections of county level numbers were developed using a modified version of the US Census's projection methodology, with the US Census's official projection as the benchmark. Applications of our model include incorporating multiple various scenario-driven events to produce a range of spatially explicit population futures for suitability modeling, service area planning for governmental agencies, consequence assessment, mitigation planning and implementation, and assessment of spatially vulnerable populations.

The pH heterogeneity in human calf muscle during neuromuscular electrical stimulation.

PubMed

Stutzig, Norman; Rzanny, Reinhard; Moll, Kevin; Gussew, Alexander; Reichenbach, Jürgen R; Siebert, Tobias

2017-06-01

The aim of the study was to examine pH heterogeneity during fatigue induced by neuromuscular electrical stimulation (NMES) using phosphorus magnetic resonance spectroscopy ( 31 P-MRS). It is hypothesized that three pH components would occur in the 31 P-MRS during fatigue, representing three fiber types. The medial gastrocnemius of eight subjects was stimulated within a 3-Tesla whole body MRI scanner. The maximal force during stimulation (F stim ) was examined by a pressure sensor. Phosphocreatine (PCr), adenosintriphosphate, inorganic phosphate (Pi), and the corresponding pH were estimated by a nonvolume-selective 31 P-MRS using a small loop coil at rest and during fatigue. During fatigue, F stim and PCr decreased to 27% and 33% of their initial levels, respectively. In all cases, the Pi peak increased when NMES was started and split into three different peaks. Based on the single Pi peaks during fatigue, an alkaline (6.76 ± 0.08), a medium (6.40 ± 0.06), and an acidic (6.09 ± 0.05) pH component were observed compared to the pH (7.02 ± 0.02) at rest. It is suggested that NMES is able to induce pH heterogeneity in the medial gastrocnemius, and that the single Pi peaks represent the different muscle fiber types of the skeletal muscle. Magn Reson Med 77:2097-2106, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Tissue Oxygenation Monitoring using Resonance Raman Spectroscopy during Hemorrhage

DTIC Science & Technology

2013-12-27

saturation measurements using resonance Raman intravital micros- copy. Am J Physiol Heart Circ Physiol. 2005;289:H488 H495. 14. Ward KR, Ivatury RR, Barbee...Nighswander-Rempel SP, Kupriyanov VV, Shaw RA. Relative contribu- tions of hemoglobin and myoglobin to near-infrared spectroscopic images of cardiac tissue...DC, Shapiro NI. The microcirculation image quality score: development and preliminary evaluation of a proposed approach to grading quality of image

Glutamatergic and neurometabolic alterations in chronic cocaine users measured with (1) H-magnetic resonance spectroscopy.

PubMed

Hulka, Lea M; Scheidegger, Milan; Vonmoos, Matthias; Preller, Katrin H; Baumgartner, Markus R; Herdener, Marcus; Seifritz, Erich; Henning, Anke; Quednow, Boris B

2016-01-01

Cocaine addiction is a chronically relapsing disorder that is associated with harmful consequences. Relapses occur frequently and effective pharmacotherapies are currently sparse. Preclinical studies suggest that altered glutamatergic signaling is crucial for the maintenance of cocaine self-administration. However, the translational validity of these models is currently unknown. Therefore, we investigated potential differences of glutamate, glutamine and further metabolite levels in the pregenual anterior cingulate cortex (pgACC) and the right dorsolateral prefrontal cortex (rDLPFC) of chronic cocaine users and controls using the PRior knOwledge FITting 2.0 tool in combination with two-dimensional J-resolved single-voxel (1) H-magnetic resonance spectroscopy at 3T and voxel tissue composition and relaxation correction. Glutamate and glutamine levels did not differ between cocaine users and controls, but higher weekly cocaine use and higher cocaine hair concentrations were associated with lower glutamine/creatine ratios in the pgACC. Interestingly, cocaine users exhibited higher glucose/total creatine ratios than controls in the pgACC and higher choline/creatine ratios in the pgACC and rDLPFC. These results imply that cocaine use is associated with altered cortical glucose metabolism and membrane turnover. Finally, cocaine use over the past 6 months appears to decrease cortical glutamine levels indicating changes in glutamate cycling. © 2014 Society for the Study of Addiction.

A portable version of the program of nettar and villafranca for the simulation of electron paramagnetic resonance spectra of powders

NASA Astrophysics Data System (ADS)

Soulié, Edgar; Gaugenot, Jacques

1995-04-01

Nettar and Villafranca wrote in the FORTRAN programming language a computer program which simulates the electron paramagnetic resonance (EPR) spectra of powders (Journal of Magnetic Resonance, vol. 64 (1985) pp. 61-65). The spin Hamiltonian which their program can handle includes the Zeeman electronic interaction, the fine interaction up to the sixth order in the electron spin, a general hyperfine interaction, an isotropic nuclear Zeeman term; anisotropic ligand hyperfine terms are treated to first order in perturbation. The above Hamiltonian, without the ligand hyperfine terms, is treated exactly, i.e. the resonance equation for a transition between states labeled i and j is solved numerically: h.ν=Ei(H)-Ej(H).

Multi-resonance frequency spin dependent charge pumping and spin dependent recombination - applied to the 4H-SiC/SiO2 interface

NASA Astrophysics Data System (ADS)

Anders, M. A.; Lenahan, P. M.; Lelis, A. J.

2017-12-01

We report on a new electrically detected magnetic resonance (EDMR) approach involving spin dependent charge pumping (SDCP) and spin dependent recombination (SDR) at high (K band, about 16 GHz) and ultra-low (360 and 85 MHz) magnetic resonance frequencies to investigate the dielectric/semiconductor interface in 4H-SiC metal-oxide-semiconductor field-effect transistors (MOSFETs). A comparison of SDCP and SDR allows for a comparison of deep level defects and defects with energy levels throughout most of the bandgap. Additionally, a comparison of high frequency and ultra-low frequency measurements allows for (1) the partial separation of spin-orbit coupling and hyperfine effects on magnetic resonance spectra, (2) the observation of otherwise forbidden half-field effects, which make EDMR, at least, in principle, quantitative, and (3) the observation of Breit-Rabi shifts in superhyperfine measurements. (Observation of the Breit-Rabi shift helps in both the assignment and the measurement of superhyperfine parameters.) We find that, as earlier work also indicates, the SiC silicon vacancy is the dominating defect in n-MOSFETs with as-grown oxides and that post-oxidation NO anneals significantly reduce their population. In addition, we provide strong evidence that NO anneals result in the presence of nitrogen very close to a large fraction of the silicon vacancies. The results indicate that the presence of nearby nitrogen significantly shifts the silicon vacancy energy levels. Our results also show that the introduction of nitrogen introduces a disorder at the interface. This nitrogen induced disorder may provide at least a partial explanation for the relatively modest improvement in mobility after the NO anneals. Finally, we compare the charge pumping and SDCP response as a function of gate amplitude and charge pumping frequency.

In Vivo{sup 1}H Magnetic Resonance Spectroscopy of Lactate in Patients With Stage IV Head and Neck Squamous Cell Carcinoma

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

Le, Quynh-Thu; Koong, Albert; Lieskovsky, Yee Yie

2008-07-15

Purpose: To investigate in vivo{sup 1}H magnetic resonance spectroscopy imaging of lactate for assessing tumor hypoxia in head and neck cancers and to determine its utility in predicting the response and outcomes. Methods and Materials: Volume-localized lactate-edited {sup 1}H magnetic resonance spectroscopy at 1.5 T was performed in vivo on involved neck nodes and control subcutaneous tissues in 36 patients with Stage IV head and neck cancer. The signal intensities (SIs) of lactate, choline, and creatine and the choline/creatine ratio were measured. The tumor partial pressure of oxygen (pO{sub 2}) was obtained in the same lymph node before MRS. Patientsmore » were treated with either two cycles of induction chemotherapy (tirapazamine, cisplatin, 5-fluorouracil) followed by simultaneous chemoradiotherapy or the same regimen without tirapazamine. The lactate SI and the choline/creatine ratio correlated with the tumor pO{sub 2}, nodal response, and locoregional control. Results: The lactate SI was greater for the involved nodes (median, 0.25) than for the subcutaneous tissue (median, 0.04; p = 0.07). No significant correlation was found between the lactate SI and tumor pO{sub 2} (mean, 0.46 {+-} 0.10 for hypoxic nodes [pO{sub 2} {<=}10 mm Hg, n = 15] vs. 0.36 {+-} 0.07 for nonhypoxic nodes [pO{sub 2} >10 mm Hg, n = 21], p = 0.44). A significant correlation was found between the choline/creatine ratios and tumor pO{sub 2} (mean, 2.74 {+-} 0.34 for hypoxic nodes vs. 1.78 {+-} 0.31 for nonhypoxic nodes, p = 0.02). No correlation was found between the lactate SI and the complete nodal response (p = 0.52) or locoregional control rates. Conclusions: The lactate SI did not correlate with tumor pO{sub 2}, treatment response, or locoregional control. Additional research is needed to refine this technique.« less

Hippocampal Neurometabolite Changes in Hypothyroidism: An In Vivo (1) H Magnetic Resonance Spectroscopy Study Before and After Thyroxine Treatment.

PubMed

Singh, S; Rana, P; Kumar, P; Shankar, L R; Khushu, S

2016-09-01

The hippocampus is a thyroid hormone receptor-rich region of the brain. A change in thyroid hormone levels may be responsible for an alteration in hippocampal-associated function, such as learning, memory and attention. Neuroimaging studies have shown functional and structural changes in the hippocampus as a result of hypothyroidism. However, the underlying process responsible for this dysfunction remains unclear. Therefore, the present study aimed to investigate the metabolic changes in the brain of adult hypothyroid patients during pre- and post-thyroxine treatment using in vivo proton magnetic resonance spectroscopy ((1) H MRS). (1) H MRS was performed in both healthy control subjects (n = 15) and hypothyroid patients (n = 15) (before and after thyroxine treatment). The relative ratios of the neurometabolites were calculated using the linear combination model (LCModel). Our results revealed a significant decrease of glutamate (Glu) (P = 0.045) and myo-inositol (mI) (P = 0.002) levels in the hippocampus of hypothyroid patients compared to controls. No significant changes in metabolite ratios were observed in the hypothyroid patients after thyroxine treatment. The findings of the present study reveal decreased Glu/tCr and mI/tCr ratios in the hippocampus of hypothyroid patients and these metabolite alterations persisted even after the patients became clinically euthyroid subsequent to thyroxine treatment. © 2016 British Society for Neuroendocrinology.

Improved tolerance to off-resonance in spectral-spatial EPI of hyperpolarized [1-13 C]pyruvate and metabolites.

PubMed

Lau, Justin Y C; Geraghty, Benjamin J; Chen, Albert P; Cunningham, Charles H

2018-09-01

For 13 C echo-planar imaging (EPI) with spectral-spatial excitation, main field inhomogeneity can result in reduced flip angle and spatial artifacts. A hybrid time-resolved pulse sequence, multi-echo spectral-spatial EPI, is proposed combining broader spectral-spatial passbands for greater off-resonance tolerance with a multi-echo acquisition to separate signals from potentially co-excited resonances. The performance of the imaging sequence and the reconstruction pipeline were evaluated for 1 H imaging using a series of increasingly dilute 1,4-dioxane solutions and for 13 C imaging using an ethylene glycol phantom. Hyperpolarized [1- 13 C]pyruvate was administered to two healthy rats. Multi-echo data of the rat kidneys were acquired to test realistic cases of off-resonance. Analysis of separated images of water and 1,4-dioxane following multi-echo signal decomposition showed water-to-dioxane 1 H signal ratios that were in agreement with the independent measurements by 1 H spectroscopy for all four concentrations of 1,4-dioxane. The 13 C signal ratio of two co-excited resonances of ethylene glycol was accurately recovered after correction for the spectral profile of the redesigned spectral-spatial pulse. In vivo, successful separation of lactate and pyruvate-hydrate signals was achieved for all except the early time points during which signal variations exceeded the temporal resolution of the multi-echo acquisition. Improved tolerance to off-resonance in the new 13 C data acquisition pipeline was demonstrated in vitro and in vivo. Magn Reson Med 80:925-934, 2018. © 2018 International Society for Magnetic Resonance in Medicine. © 2018 International Society for Magnetic Resonance in Medicine.

Magnetic resonances in perovskite-type layer structures

NASA Astrophysics Data System (ADS)

Strobel, K.; Geick, R.

1981-08-01

We have studied the q=0 magnetic excitations of the perovskite-type layer structures A 2MnCl 4 with A=Rb, C nH 2n+1NH 3 (n=1,2,3), and NH 3(CH 2) mNH 3MnCl 4 (m=2,4,5) in the antiferromagnetic and in the spin flop regime by means of magnetic resonance in the mm-wave range (30-130GHz) and microwave range (9.2GHz). The length of the organic molecules determines the separation of the MnCl 6 octahedra. With increasing separation the Néel temperature and the antiferromagnetic resonance frequency decrease, which mainly originates from a decrease of the anisotropy field.

Pre-resonance Raman spectra of some simple gases. [sulfur oxides, hydrogen sulfide, and nitrogen oxides

NASA Technical Reports Server (NTRS)

Low, P. W.

1974-01-01

The pre-resonance Raman spectra of SO2, N2O, and H2S were investigated using the 4880 A, 4727 A, and 4579 A lines of the argon ion laser. Although these molecules have electronic absorption bands in the near ultraviolet, none exhibit any pre-resonance enhancement within our experimental error of + or - 10%. Possible explanations taking into account the current theories for resonance Raman are discussed.

Backbone resonance assignments of the PRYSPRY domain of TRIM25.

PubMed

Kong, Chen; Penumutchu, Srinivasa R; Hung, Kuo-Wei; Huang, Huiying; Lin, Tianwei; Yu, Chin

2015-10-01

TRIM25 is a member of the tripartite motif (TRIM) family and has been implicated in the regulation of innate immune signaling via the RIG-I (retinoic acid-inducible gene-I) pathway for antiviral defense. As the essential first step towards the structural and functional characterization of the TRIM25/RIG-I interaction, the backbone resonance of the PRYSPRY domain of TRIM25 is assigned here based on triple-resonance experiments using uniformly [(2)H, (13)C, (15)N]-labeled protein.

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.

Magnetic resonance imaging and magnetic resonance spectroscopy for detection of early Alzheimer's disease.

PubMed

Westman, Eric; Wahlund, Lars-Olof; Foy, Catherine; Poppe, Michaela; Cooper, Allison; Murphy, Declan; Spenger, Christian; Lovestone, Simon; Simmons, Andrew

2011-01-01

Alzheimer's disease is the most common form of neurodegenerative disorder and early detection is of great importance if new therapies are to be effectively administered. We have investigated whether the discrimination between early Alzheimer's disease (AD) and elderly healthy control subjects can be improved by adding magnetic resonance spectroscopy (MRS) measures to magnetic resonance imaging (MRI) measures. In this study 30 AD patients and 36 control subjects were included. High resolution T1-weighted axial magnetic resonance images were obtained from each subject. Automated regional volume segmentation and cortical thickness measures were determined for the images. 1H MRS was acquired from the hippocampus and LCModel was used for metabolic quantification. Altogether, this yielded 58 different volumetric, cortical thickness and metabolite ratio variables which were used for multivariate analysis to distinguish between subjects with AD and Healthy controls. Combining MRI and MRS measures resulted in a sensitivity of 97% and a specificity of 94% compared to using MRI or MRS measures alone (sensitivity: 87%, 76%, specificity: 86%, 83% respectively). Adding the MRS measures to the MRI measures more than doubled the positive likelihood ratio from 6 to 17. Adding MRS measures to a multivariate analysis of MRI measures resulted in significantly better classification than using MRI measures alone. The method shows strong potential for discriminating between Alzheimer's disease and controls.

ρ resonance from the I = 1 ππ potential in lattice QCD

NASA Astrophysics Data System (ADS)

Kawai, Daisuke

2018-03-01

We calculate the phase shift for the I = 1 ππ scattering in 2+1 flavor lattice QCD at mπ = 410 MeV, using all-to-all propagators with the LapH smearing. We first investigate the sink operator independence of the I = 2 ππ scattering phase shift to estimate the systematics in the LapH smearing scheme in the HAL QCD method at mπ = 870 MeV. The difference in the scattering phase shift in this channel between the conventional point sink scheme and the smeared sink scheme is reasonably small as long as the next-toleading analysis is employed in the smeared sink scheme with larger smearing levels. We then extract the I = 1 ππ potential with the smeared sink operator, whose scattering phase shift shows a resonant behavior (ρ resonance). We also examine the pole of the S-matrix corresponding to the ρ resonance in the complex energy plane.

Interference effect on a heavy Higgs resonance signal in the γ γ and Z Z channels

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

Song, Jeonghyeon; Yoon, Yeo Woong; Jung, Sunghoon

2016-03-24

The resonance-continuum interference is usually neglected when the width of a resonance is small compared to the resonance mass. We reexamine this standard by studying the interference effects in high-resolution decay channels, γγ and ZZ, of the heavy Higgs boson H in nearly aligned two-Higgs-doublet models. For the H with a sub-percent width-to-mass ratio, we find that, in the parameter space where the LHC 14 TeV ZZ resonance search can be sensitive, the interference effects can modify the ZZ signal rate by O(10)% and the exclusion reach by O(10) GeV. In other parameter space where the ZZ or γγ signalmore » rate is smaller, the LHC 14 TeV reach is absent, but a resonance shape can be much more dramatically changed. In particular, the γγ signal rate can change by O(100)%. Relevant to such parameter space, we suggest variables that can characterize a general resonance shape. Furthermore, we also illustrate the relevance of the width on the interference by adding nonstandard decay modes of the heavy Higgs boson.« less

Ir-Uv Double Resonance Spectroscopy of a Cold Protonated Fibril-Forming Peptide: NNQQNY\\cdotH+

NASA Astrophysics Data System (ADS)

DeBlase, Andrew F.; Harrilal, Christopher P.; Walsh, Patrick S.; McLuckey, Scott A.; Zwier, Timothy S.

2016-06-01

Protein aggregation to form amyloid-like fibrils is a purported molecular manifestation that leads to Alzheimer's, Huntington's, and other neurodegenerative diseases. The propensity for a protein to aggregate is often driven by the presence of glutamine (Q) and asparagine (N) rich tracts within the primary sequence. For example, Eisenberg and coworkers [Nature 2006, 435, 773] have shown by X-ray crystallography that the peptides NNQQNY and GNNQQNY aggregate into a parallel β-sheet configuration with side chains that intercalate into a "steric zipper". These sequences are commonly found at the N-terminus of the prion-determining domain in the yeast protein Sup35, a typical fibril-forming protein. Herein, we invoke recent advances in cold ion spectroscopy to explore the nascent conformational preferences of the protonated peptides that are generated by electrospray ionization. Towards this aim, we have used UV and IR spectroscopy to record conformation-specific photofragment action spectra of the NNQQNY monomer cryogenically cooled in an octopole ion trap. This short peptide contains 20 hydride stretch oscillators, leading to a rich infrared spectrum with at least 18 resolved transitions in the 2800-3800 cm-1 region. The infrared spectrum suggests the presence of both a free acid OH moiety and an H-bonded tyrosine OH group. We compare our results with resonant ion dip infrared spectra (RIDIRS) of the acyl/NH-benzyl capped neutral glutamine amino acid and its corresponding dipeptide: Ac-Q-NHBn and Ac-QQ-NHBn, respectively. These comparisons bring empirical insight to the NH stretching region of the spectrum, which contains contributions from free and singly H-bonded NH2 side-chain groups, and from peptide backbone amide NH groups. We further compare our spectrum to harmonic calculations at the M05-2X/6-31+G* level of theory, which were performed on low energy structures obtained from Monte Carlo conformational searches using the Amber* and OPLS force fields to assess

Optical resonator

NASA Technical Reports Server (NTRS)

Taghavi-Larigani, Shervin (Inventor); Vanzyl, Jakob J. (Inventor); Yariv, Amnon (Inventor)

2006-01-01

The invention discloses a semi-ring Fabry-Perot (SRFP) optical resonator structure comprising a medium including an edge forming a reflective facet and a waveguide within the medium, the waveguide having opposing ends formed by the reflective facet. The performance of the SRFP resonator can be further enhanced by including a Mach-Zehnder interferometer in the waveguide on one side of the gain medium. The optical resonator can be employed in a variety of optical devices. Laser structures using at least one SRFP resonator are disclosed where the resonators are disposed on opposite sides of a gain medium. Other laser structures employing one or more resonators on one side of a gain region are also disclosed.

Facile solvothermal synthesis of mesostructured Fe3O4/chitosan nanoparticles as delivery vehicles for pH-responsive drug delivery and magnetic resonance imaging contrast agents.

PubMed

Zhao, Guanghui; Wang, Jianzhi; Peng, Xiaomen; Li, Yanfeng; Yuan, Xuemei; Ma, Yingxia

2014-02-01

We report a facile fabrication of a host-metal-guest coordination-bonding system in a mesostructured Fe3O4/chitosan nanoparticle that can act as a pH-responsive drug-delivery system. The mesostructured Fe3O4/chitosan was synthesized by a solvothermal approach with iron(III) chloride hexahydrate as a precursor, ethylene glycol as a reducing agent, ammonium acetate as a porogen, and chitosan as a surface-modification agent. Subsequently, doxorubicin (DOX), acting as a model drug (guest), was loaded onto the mesostructured Fe3O4/chitosan nanoparticles, with chitosan acting as a host molecule to form the NH2-Zn(II)-DOX coordination architecture. The release of DOX can be achieved through the cleavage of coordination bonds that are sensitive to variations in external pH under weakly acidic conditions. The pH-responsive nature of the nanoparticles was confirmed by in vitro releases and cell assay tests. Furthermore, the relaxation efficiency of the nanoparticles as high-performance magnetic resonance imaging contrast agents was also investigated. Experimental results confirm that the synthesized mesostructured Fe3O4/chitosan is a smart nanovehicle for drug delivery owing to both its pH-responsive nature and relaxation efficiency. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Projection of Changes in Regional Climate and Air Quality in the Great Lakes Basin between 2000 and 2050 for the RCP8.5 Emissions Scenario using the GEM-AQ Model

NASA Astrophysics Data System (ADS)

Lupu, A.; Semeniuk, K.; McConnell, J. C.; Kaminski, J. W.; Toyota, K.; Neary, L.

2012-12-01

The Global Environmental Multiscale Air Quality (GEM-AQ) model was run in global and limited area model (LAM) modes for the baseline year 2000 and one future year, 2050, on three different horizontal grids of increasing resolution from global (1.5°) to North American (LAM, 0.45°) to Ontario regional scale (LAM, 0.15°). For the future simulation we used the high greenhouse emissions scenario RCP8.5. Boundary conditions for the LAM runs were taken from the coarser resolution runs. All simulations had 54 vertical sigma-pressure hybrid levels from the ground to the stratopause (˜50 km), which should give a good representation of ozone injection to the troposphere from the stratosphere. The model uses the interactive land surface scheme ISBA. Sea surface and lake temperatures are prescribed, but ice cover is partially interactive based on prescribed fields. A lake model, FLAKE, was coupled to GEM-AQ in order to capture the impacts of the Great Lakes on the meteorology when the model is run at high resolution. For the Ontario regional simulation the interactive lake model allowed for self-consistent water temperatures and moisture fluxes. The simulation for the year 2000 shows that the model is able to reproduce the observed monthly surface temperatures across the US. The monthly surface ozone is reproduced at the level of detail of most other air quality models with year 2000 weather as opposed to a free run forced by SSTs. Our year 2050 simulation shows that ozone levels during the summer throughout most of Ontario and Canada will increase. Regions south of the latitude of Lake Superior will generally see decreased levels of summer (JJA) ozone, except for around large urban areas such as Toronto, Chicago and Montreal. However, NOx levels will decrease during the summer, reflecting decreased emissions. Ozone levels in the US will generally improve. Other indices rather than simple averages yield a different perspective. If the MDA8 ozone metric and NO2 one-hour 98th

Atmospheric Circulation Influence on the Winter Thermal Conditions in Poland in 2021-2050 Based on the RACMO2 Model

NASA Astrophysics Data System (ADS)

Jędruszkiewicz, Joanna; Piotrowski, Piotr

2012-01-01

Thermal conditions are largely determined by atmospheric circulation. Therefore, projection of future temperature changes should be considered in relation to changes in circulation patterns. This paper assess to what extent changes in circulation correspond to spatial variability of the winter temperature increase in Poland in 2021-2050 period based on the RACMO2 model. The daily data of the mean temperature and sea level pressure (SLP) from selected regional climate model and observations were used. SLP data were used to determine the advection types and circulation character. Firstly, changes in frequency of circulation types between 2021-2050 and 1971-2000 periods were examined. Then changes in air temperature for specific circulation type in relation to reference period were studied. Finally, the influence of atmospheric circulation on spatial temperature variation was discussed. Considerably high increase in cyclonic situation of more than 18%, especially from the west and south-west direction, and decrease in anticyclonic situation mainly from the west and northwest in winter was noticed. Changes in frequency of circulation types result in temperature growth. For some types it is predicted that warming can reach even 3-4°C. The cyclonic (Ec, SEc, Sc) and anticylonic (SEa, Sa, Ea) types are likely to foster the highest warming in the scenario period. Polska charakteryzuje się znacznym zróżnicowaniem przestrzennym w rozkładzie temperatury powietrza w porze zimowej. W sezonie zimowym przeważa południkowy układ izoterm co świadczy o silnym oddziaływaniu z jednej strony ciepłych, wilgotnych mas powietrza napływających znad Atlantyku, a z drugiej chłodniejszych i bardziej suchych znad kontynentu azjatyckiego. Regionalne modele klimatu opracowane dla obszaru Europy wskazują jednoznacznie na wzrost temperatury w okresie zimy na obszarze całego kontynentu, szczególnie a wschodzie i północnym-wschodzie kontynentu, nawet o 3°C. Projekcje te s

Reactive nitrogen requirements to feed the world in 2050 and potential to mitigate nitrogen pollution.

PubMed

Bodirsky, Benjamin Leon; Popp, Alexander; Lotze-Campen, Hermann; Dietrich, Jan Philipp; Rolinski, Susanne; Weindl, Isabelle; Schmitz, Christoph; Müller, Christoph; Bonsch, Markus; Humpenöder, Florian; Biewald, Anne; Stevanovic, Miodrag

2014-05-13

Reactive nitrogen (Nr) is an indispensable nutrient for agricultural production and human alimentation. Simultaneously, agriculture is the largest contributor to Nr pollution, causing severe damages to human health and ecosystem services. The trade-off between food availability and Nr pollution can be attenuated by several key mitigation options, including Nr efficiency improvements in crop and animal production systems, food waste reduction in households and lower consumption of Nr-intensive animal products. However, their quantitative mitigation potential remains unclear, especially under the added pressure of population growth and changes in food consumption. Here we show by model simulations, that under baseline conditions, Nr pollution in 2050 can be expected to rise to 102-156% of the 2010 value. Only under ambitious mitigation, does pollution possibly decrease to 36-76% of the 2010 value. Air, water and atmospheric Nr pollution go far beyond critical environmental thresholds without mitigation actions. Even under ambitious mitigation, the risk remains that thresholds are exceeded.

Proton nuclear magnetic resonance studies on the variant-3 neurotoxin from Centruroides sculpturatus Ewing: Sequential assignment of resonances

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

Nettesheim, D.G.; Klevit, R.E.; Drobny, G.

1989-02-21

The authors report the sequential assignment of resonances to specific residues in the proton nuclear magnetic resonance spectrum of the variant-3 neurotoxin from the scorpion Centruroides sculpturatus Ewing (range southwestern U.S.A.). A combination of two-dimensional NMR experiments such as 2D-COSY, 2D-NOESY, and single- and double-RELAY coherence transfer spectroscopy has been employed on samples of the protein dissolved in D{sub 2}O and in H{sub 2}O for assignment purposes. These studies provide a basis for the determination of the solution-phase conformation of this protein and for undertaking detailed structure-function studies of these neurotoxins that modulate the flow of sodium current by bindingmore » to the sodium channels of excitable membranes.« less

Resonance enhancement of dark matter interactions: the case for early kinetic decoupling and velocity dependent resonance width

NASA Astrophysics Data System (ADS)

Duch, M.; Grzadkowski, B.

2017-09-01

Motivated by the possibility of enhancing dark matter (DM) self-scattering cross-section σ self , we have revisited the issue of DM annihilation through a Breit-Wigner resonance. In this case thermally averaged annihilation cross-section has strong temper-ature dependence, whereas elastic scattering of DM on the thermal bath particles is sup-pressed. This leads to the early kinetic decoupling of DM and an interesting interplay in the evolution of DM density and temperature that can be described by a set of coupled Boltzmann equations. The standard Breit-Wigner parametrization of a resonance prop-agator is also corrected by including momentum dependence of the resonance width. It has been shown that this effects may change predictions of DM relic density by more than order of magnitude in some regions of the parameter space. Model independent discussion is illustrated within a theory of Abelian vector dark matter. The model assumes extra U(1) symmetry group factor and an additional complex Higgs field needed to generate a mass for the dark vector boson, which provides an extra neutral Higgs boson h 2. We discuss the resonant amplification of σ self . It turns out that if DM abundance is properly reproduced, the Fermi-LAT data favor heavy DM and constraint the enhancement of σ self to the range, which cannot provide a solution to the small-scale structure problems.

Functional magnetic porous silica for T 1-T 2 dual-modal magnetic resonance imaging and pH-responsive drug delivery of basic drugs

NASA Astrophysics Data System (ADS)

Li, Ling; Zhang, Run; Guo, Yi; Zhang, Cheng; Zhao, Wei; Xu, Zhiping; Whittaker, Andrew K.

2016-12-01

A smart magnetic-targeting drug carrier γ-Fe2O3@p-silica comprising a γ-Fe2O3 core and porous shell has been prepared and characterized. The particles have a uniform size of about 60 nm, and a porous shell of thickness 3 nm. Abundant hydroxyl groups and a large surface area enabled the γ-Fe2O3@p-silica to be readily loaded with a large payload of the basic model drug rhodamine B (RB) (up to 73 mg g-1). Cytotoxicity assays of the γ-Fe2O3@p-silica particles indicated that the particles were biocompatible and suitable for carrying drugs. It was found that the RB was released rapidly at pH 5.5 but at pH 7.4 the rate and extent of release was greatly attenuated. The particles therefore demonstrate an excellent pH-triggered drug release. In addition, the γ-Fe2O3@p-silica particles could be tracked by magnetic resonance imaging (MRI). A clear dose-dependent contrast enhancement in both T 1-weighted and T 2-weighted MR images indicated the potential of the γ-Fe2O3@p-silica particles to act as dual-mode T 1 and T 2 MRI contrast agents.

Utility of magnetic resonance imaging and nuclear magnetic resonance-based metabolomics for quantification of inflammatory lung injury

PubMed Central

Serkova, Natalie J.; Van Rheen, Zachary; Tobias, Meghan; Pitzer, Joshua E.; Wilkinson, J. Erby; Stringer, Kathleen A.

2008-01-01

Magnetic resonance imaging (MRI) and metabolic nuclear magnetic resonance (NMR) spectroscopy are clinically available but have had little application in the quantification of experimental lung injury. There is a growing and unfulfilled need for predictive animal models that can improve our understanding of disease pathogenesis and therapeutic intervention. Integration of MRI and NMR could extend the application of experimental data into the clinical setting. This study investigated the ability of MRI and metabolic NMR to detect and quantify inflammation-mediated lung injury. Pulmonary inflammation was induced in male B6C3F1 mice by intratracheal administration of IL-1β and TNF-α under isoflurane anesthesia. Mice underwent MRI at 2, 4, 6, and 24 h after dosing. At 6 and 24 h lungs were harvested for metabolic NMR analysis. Data acquired from IL-1β+TNF-α-treated animals were compared with saline-treated control mice. The hyperintense-to-total lung volume (HTLV) ratio derived from MRI was higher in IL-1β+TNF-α-treated mice compared with control at 2, 4, and 6 h but returned to control levels by 24 h. The ability of MRI to detect pulmonary inflammation was confirmed by the association between HTLV ratio and histological and pathological end points. Principal component analysis of NMR-detectable metabolites also showed a temporal pattern for which energy metabolism-based biomarkers were identified. These data demonstrate that both MRI and metabolic NMR have utility in the detection and quantification of inflammation-mediated lung injury. Integration of these clinically available techniques into experimental models of lung injury could improve the translation of basic science knowledge and information to the clinic. PMID:18441091

H-1 Nuclear Magnetic Resonance Metabolomics Analysis Identifies Novel Urinary Biomarkers for Lung Function

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

MCClay, Joseph L.; Adkins, Daniel E.; Isern, Nancy G.

2010-06-04

Chronic obstructive pulmonary disease (COPD), characterized by chronic airflow limitation, is a serious and growing public health concern. The major environmental risk factor for COPD is tobacco smoking, but the biological mechanisms underlying COPD are not well understood. In this study, we used proton nuclear magnetic resonance (1H-NMR) spectroscopy to identify and quantify metabolites associated with lung function in COPD. Plasma and urine were collected from 197 adults with COPD and from 195 adults without COPD. Samples were assayed using a 600 MHz NMR spectrometer, and the resulting spectra were analyzed against quantitative spirometric measures of lung function. After correctingmore » for false discoveries and adjusting for covariates (sex, age, smoking) several spectral regions in urine were found to be significantly associated with baseline lung function. These regions correspond to the metabolites trigonelline, hippurate and formate. Concentrations of each metabolite, standardized to urinary creatinine, were associated with baseline lung function (minimum p-value = 0.0002 for trigonelline). No significant associations were found with plasma metabolites. Two of the three urinary metabolites positively associated with baseline lung function, i.e. hippurate and formate, are often related to gut microflora. This suggests that the microbiome composition is variable between individuals with different lung function. Alternatively, the nature and origins of all three associated metabolites may reflect lifestyle differences affecting overall health. Our results will require replication and validation, but demonstrate the utility of NMR metabolomics as a screening tool for identifying novel biomarkers of lung disease or disease risk.« less

Nqrs Data for C24H36Cu2N6 (Subst. No. 1586)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C24H36Cu2N6 (Subst. No. 1586)

Nqrs Data for C24H42Li2N4 (Subst. No. 1587)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C24H42Li2N4 (Subst. No. 1587)

Nqrs Data for C26H38N2O3 (Subst. No. 1607)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C26H38N2O3 (Subst. No. 1607)

Nqrs Data for C24H24Cu2N6 (Subst. No. 1584)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C24H24Cu2N6 (Subst. No. 1584)

Microstrip resonators for electron paramagnetic resonance experiments

NASA Astrophysics Data System (ADS)

Torrezan, A. C.; Mayer Alegre, T. P.; Medeiros-Ribeiro, G.

2009-07-01

In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5×1010 spins/GHz1/2 despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

Microstrip resonators for electron paramagnetic resonance experiments.

PubMed

Torrezan, A C; Mayer Alegre, T P; Medeiros-Ribeiro, G

2009-07-01

In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5 x 10(10) spins/GHz(1/2) despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

Combination of 1H nuclear magnetic resonance spectroscopy and principal component analysis to evaluate the lipid fluidity of flutamide-encapsulated lipid nanoemulsions.

PubMed

Takegami, Shigehiko; Ueyama, Keita; Konishi, Atsuko; Kitade, Tatsuya

2018-06-06

The lipid fluidity of various lipid nanoemulsions (LNEs) without and with flutamide (FT) and containing one of two neutral lipids, one of four phosphatidylcholines as a surfactant, and sodium palmitate as a cosurfactant was investigated by the combination of 1 H nuclear magnetic resonance (NMR) spectroscopy and principal component analysis (PCA). In the 1 H NMR spectra, the peaks from the methylene groups of the neutral lipids and surfactants for all LNE preparations showed downfield shifts with increasing temperature from 20 to 60 °C. PCA was applied to the 1 H NMR spectral data obtained for the LNEs. The PCA resulted in a model in which the first two principal components (PCs) extracted 88% of the total spectral variation; the first PC (PC-1) axis and second PC (PC-2) axis accounted for 73 and 15%, respectively, of the total spectral variation. The Score-1 values for PC-1 plotted against temperature revealed the existence of two clusters, which were defined by the neutral lipid of the LNE preparations. Meanwhile, the Score-2 values decreased with rising temperature and reflected the increase in lipid fluidity of each LNE preparation, consistent with fluorescence anisotropy measurements. In addition, the changes of Score-2 values with temperature for LNE preparations with FT were smaller than those for LNE preparations without FT. This indicates that FT encapsulated in LNE particles markedly suppressed the increase in lipid fluidity of LNE particles with rising temperature. Thus, PCA of 1 H NMR spectra will become a powerful tool to analyze the lipid fluidity of lipid nanoparticles. Graphical abstract ᅟ.

Simulation of projected water demand and ground-water levels in the Coffee Sand and Eutaw-McShan aquifers in Union County, Mississippi, 2010 through 2050

USGS Publications Warehouse

Hutson, Susan S.; Strom, E.W.; Burt, D.E.; Mallory, M.J.

2000-01-01

Ground water from the Eutaw-McShan and the Coffee Sand aquifers is the major source of supply for residential, commercial, and industrial purposes in Union County, Mississippi. Unbiased, scientifically sound data and assessments are needed to assist agencies in better understanding and managing available water resources as continuing development and growth places more stress on available resources. The U.S. Geological Survey, in cooperation with the Tennessee Valley Authority, conducted an investigation using water-demand and ground-water models to evaluate the effect of future water demand on groundwater levels. Data collected for the 12 public-supply facilities and the self-supplied commercial and industrial facilities in Union County were used to construct water-demand models. The estimates of water demand to year 2050 were then input to a ground-water model based on the U.S. Geological Survey finite-difference computer code, MODFLOW. Total ground-water withdrawals for Union County in 1998 were estimated as 2.85 million gallons per day (Mgal/d). Of that amount, municipal withdrawals were 2.55 Mgal/d with about 1.50 Mgal/d (59 percent) delivered to residential users. Nonmunicipal withdrawals were 0.296 Mgal/d. About 80 percent (2.27 Mgal/d) of the total ground-water withdrawal is produced from the Eutaw-McShan aquifer and about 13 percent (0.371 Mgal/d) from the Coffee Sand aquifer. Between normal- and high-growth conditions, total water demand could increase from 72 to 131 percent (2.9 Mgal/d in 1998 to 6.7 Mgal/d in year 2050) with municipal demand increasing from 77 to 146 percent (2.6 to 6.4 Mgal/d). Increased pumping to meet the demand for water was simulated to determine the effect on water levels in the Coffee Sand and Eutaw- McShan aquifers. Under baseline-growth conditions, increased water use by year 2050 could result in an additional 65 feet of drawdown in the New Albany area below year 2000 water levels in the Coffee Sand aquifer and about 120 feet of

Sensitivity enhancement in whole-body natural abundance 13C spectroscopy using 13C/1H double-resonance techniques at 4 tesla.

PubMed

Bomsdorf, H; Röschmann, P; Wieland, J

1991-11-01

In vivo 13C spectroscopy experiments were performed using a whole-body MR system at a static field of 4 T. The main goal of the investigations was to evaluate the sensitivity increase achievable by means of 13C/1H double-resonance techniques at 4 T. Spectra from subcutaneous fat as well as muscle glycogen from the lower leg were acquired using frequency selective proton decoupling and the polarization transfer method SINEPT. With respect to measurements on subcutaneous fat, polarization transfer turned out to be more efficient than selective decoupling. About a fourfold enhancement in spectral peak intensity for the C = C line doublet of the unsaturated fatty acid chain was obtained. Combining polarization transfer with decoupling yielded a factor of 6 in signal amplitude. In contrast to that, the signal enhancement observed in measurements on the glycogen C-1 resonance was only around twofold. The lower efficiency is explained by fast T2 relaxation of the proton transition. A T2 value of about 3 ms was derived from the experimental data. Acquisition times as low as 3 min were realized for normal level glycogen in human calf muscle, enabling a time resolution adequate for dynamic studies on muscle glycogen depletion. Aspects of RF power absorption in tissue and the generally higher efficiency make polarization transfer methods preferable to selective decoupling in whole-body 13C spectroscopy at 4 T.

1H MAS NMR (magic-angle spinning nuclear magnetic resonance) techniques for the quantitative determination of hydrogen types in solid catalysts and supports.

PubMed

Kennedy, Gordon J; Afeworki, Mobae; Calabro, David C; Chase, Clarence E; Smiley, Randolph J

2004-06-01

Distinct hydrogen species are present in important inorganic solids such as zeolites, silicoaluminophosphates (SAPOs), mesoporous materials, amorphous silicas, and aluminas. These H species include hydrogens associated with acidic sites such as Al(OH)Si, non-framework aluminum sites, silanols, and surface functionalities. Direct and quantitative methodology to identify, measure, and monitor these hydrogen species are key to monitoring catalyst activity, optimizing synthesis conditions, tracking post-synthesis structural modifications, and in the preparation of novel catalytic materials. Many workers have developed several techniques to address these issues, including 1H MAS NMR (magic-angle spinning nuclear magnetic resonance). 1H MAS NMR offers many potential advantages over other techniques, but care is needed in recognizing experimental limitations and developing sample handling and NMR methodology to obtain quantitatively reliable data. A simplified approach is described that permits vacuum dehydration of multiple samples simultaneously and directly in the MAS rotor without the need for epoxy, flame sealing, or extensive glovebox use. We have found that careful optimization of important NMR conditions, such as magnetic field homogeneity and magic angle setting are necessary to acquire quantitative, high-resolution spectra that accurately measure the concentrations of the different hydrogen species present. Details of this 1H MAS NMR methodology with representative applications to zeolites, SAPOs, M41S, and silicas as a function of synthesis conditions and post-synthesis treatments (i.e., steaming, thermal dehydroxylation, and functionalization) are presented.

Time-resolved resonance Raman spectroscopy of intermediates of bacteriorhodopsin: The bK(590) intermediate.

PubMed

Terner, J; Hsieh, C L; Burns, A R; El-Sayed, M A

1979-07-01

We have combined microbeam and flow techniques with computer subtraction methods to obtain the resonance Raman spectrum of the short lived batho-intermediate (bK(590)) of bacteriorhodopsin. Comparison of the spectra obtained in (1)H(2)O and (2)H(2)O, as well as the fact that the bK(590) intermediate shows large optical red shifts, suggests that the Schiff base linkage of this intermediate is protonated. The fingerprint region of the spectrum of bK(590), sensitive to the isomeric configuration of the retinal chromophore, does not resemble the corresponding region of the parent bR(570) form. The resonance Raman spectrum of bK(590) as well as the spectra of all of the other main intermediates in the photoreaction cycle of bacteriorhodopsin are discussed and compared with resonance Raman spectra of published model compounds.

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.

Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2 + CD3

NASA Astrophysics Data System (ADS)

Ellerbrock, Roman; Manthe, Uwe

2017-12-01

Quantum state-resolved reaction probabilities for the H + CHD3 → H2 + CD3 reaction are calculated by accurate full-dimensional quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree approach and the quantum transition state concept. Reaction probabilities of various ro-vibrational states of the CHD3 reactant are investigated for vanishing total angular momentum. While the reactivity of the different vibrational states of CHD3 mostly follows intuitive patterns, an unusually large reaction probability is found for CHD3 molecules triply excited in the CD3 umbrella-bending vibration. This surprising reactivity can be explained by a Fermi resonance-type mixing of the single CH-stretch excited and the triple CD3 umbrella-bend excited vibrational states of CHD3. These findings show that resonant energy transfer can significantly affect the mode-selective chemistry of CHD3 and result in counter-intuitive reactivity patterns.

Effect of pH and interaction between egg white protein and hydroxypropymethylcellulose in bulk aqueous medium on foaming properties.

PubMed

Sadahira, Mitie S; Lopes, Fernanda C Rezende; Rodrigues, Maria I; Yamada, Aureo T; Cunha, Rosiane L; Netto, Flavia M

2015-07-10

Egg white protein (EW) is used as surface-active ingredient in aerated food and hydroxypropylmethylcellulose (HPMC) is a polysaccharide that behaves as a surfactant. This study aimed at investigating the effects of process parameters biopolymer concentration (2.0-5.0%, w/w), EW:HPMC ratio (2:1-18:1), pH (3.0-6.0), and the influence of biopolymers' behavior in aqueous solution at different pH on the foaming properties (overrun, drainage, and bubble growth rate). Process parameters had effect on foaming properties. The pH was the major factor influencing the type of EW/HPMC interaction and affected the foaming properties of biopolymer mixture. At pH 3.0, EW and HPMC showed thermodynamic compatibility leading to better foaming properties, higher foaming capacity, and stability than without HPMC addition whereas at pH 4.5 and 6.0, EW and HPMC are incompatible that causes lower stability concerning the disproportionation comparing to foam without HPMC. At pH between 3.0 and 4.5, HPMC improves foaming properties of aerated products. Copyright © 2015 Elsevier Ltd. All rights reserved.

Rate constants for CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H and CF{sub 3}H + H {r_arrow} CF{sub 3} + H{sub 2} reactions in the temperature range 1100--1600 K

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

Hranisavljevic, J.; Michael, J.V.

1998-09-24

The shock tube technique coupled with H-atom atomic resonance absorption spectrometry has been used to study the reactions (1) CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H and (2) CF{sub 3}H + H {r_arrow} CF{sub 3} + H{sub 2} over the temperature ranges 1168--1673 K and 1111--1550 K, respectively. The results can be represented by the Arrhenius expressions k{sub 1} = 2.56 {times} 10{sup {minus}11} exp({minus}8549K/T) and k{sub 2} = 6.13 {times} 10{sup {minus}11} exp({minus}7364K/T), both in cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. Equilibrium constants were calculated from the two Arrhenius expressions in the overlapping temperature range, andmore » good agreement was obtained with the literature values. The rate constants for reaction 2 were converted into rate constants for reaction 1 using literature equilibrium constants. These data are indistinguishable from direct k{sub 1} measurements, and an Arrhenius fit for the joint set is k{sub 1} = 1.88 {times} 10{sup {minus}11} exp({minus}8185K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The CF{sub 3} + H{sub 2} {r_arrow} CF{sub 3}H + H reaction was further modeled using conventional transition-state theory, which included ab initio electronic structure determinations of reactants, transition state, and products.« less

Anti-resonance scattering at defect levels in the quantum conductance of a one-dimensional system

NASA Astrophysics Data System (ADS)

Sun, Z. Z.; Wang, Y. P.; Wang, X. R.

2002-03-01

For the ballistic quantum transport, the conductance of one channel is quantized to a value of 2e^2/h described by the Landauer formula. In the presence of defects, electrons will be scattered by these defects. Thus the conductance will deviate from the values of the quantized conductance. We show that an anti-resonance scattering can occur when an extra defect level is introduced into a conduction band. At the anti-resonance scattering, exact one quantum conductance is destroyed. The conductance takes a non-zero value when the Fermi energy is away from the anti-resonance scattering. The result is consistent with recent numerical calculations given by H. J. Choi et al. (Phys. Rev. Lett. 84, 2917(2000)) and P. L. McEuen et al. (Phys. Rev. Lett. 83, 5098(1999)).

Dynamics of the formation and loss of boron atoms in a H2/B2H6 microwave plasma

NASA Astrophysics Data System (ADS)

Duluard, C. Y.; Aubert, X.; Sadeghi, N.; Gicquel, A.

2016-09-01

For further improvements in doped-diamond deposition technology, an understanding of the complex chemistry in H2/CH4/B2H6 plasmas is of general importance. In this context, a H2/B2H6 plasma ignited by microwave power in a near resonant cavity at high pressure (100-200 mbar) is studied to measure the B-atom density in the ground state. The discharge is ignited in the gas mixture (0-135 ppm B2H6 in H2) by a 2.45 GHz microwave generator, leading to the formation of a hemispheric plasma core, surrounded by a faint discharge halo filling the remaining reactor volume. Measurements with both laser induced fluorescence and resonant absoption with a boron hollow cathode lamp indicate that the B-atom density is higher in the halo than in the plasma core. When the absorption line-of-sight is positioned in the halo, the absorption is so strong that the upper detection limit is reached. To understand the mechanisms of creation and loss of boron atoms, time-resolved absorption measurements have been carried out in a pulsed plasma regime (10 Hz, duty cycle 50%). The study focuses on the influence of the total pressure, the partial pressure of B2H6, as well as the source power, on the growth and decay rates of boron atoms when the plasma is turned off.

Hydride Conformers of the Nitrogenase FeMo-cofactor Two-Electron Reduced State E2(2H), Assigned Using Cryogenic Intra Electron Paramagnetic Resonance Cavity Photolysis.

PubMed

Lukoyanov, Dmitriy A; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R; Seefeldt, Lance C; Hoffman, Brian M

2018-03-24

Early studies in which nitrogenase was freeze-trapped during enzymatic turnover revealed the presence of high-spin ( S = 3 / 2 ) electron paramagnetic resonance (EPR) signals from the active-site FeMo-cofactor (FeMo-co) in electron-reduced intermediates of the MoFe protein. Historically denoted as 1b and 1c, each of the signals is describable as a fictitious spin system, S' = 1 / 2 , with anisotropic g' tensor, 1b with g' = [4.21, 3.76, ?] and 1c with g' = [4.69, ∼3.20, ?]. A clear discrepancy between the magnetic properties of 1b and 1c and the kinetic analysis of their appearance during pre-steady-state turnover left their identities in doubt, however. We subsequently associated 1b with the state having accumulated 2[e - /H + ], denoted as E 2 (2H), and suggested that the reducing equivalents are stored on the catalytic FeMo-co cluster as an iron hydride, likely an [Fe-H-Fe] hydride bridge. Intra-EPR cavity photolysis (450 nm; temperature-independent from 4 to 12 K) of the E 2 (2H)/1b state now corroborates the identification of this state as storing two reducing equivalents as a hydride. Photolysis converts E 2 (2H)/1b to a state with the same EPR spectrum, and thus the same cofactor structure as pre-steady-state turnover 1c, but with a different active-site environment. Upon annealing of the photogenerated state at temperature T = 145 K, it relaxes back to E 2 (2H)/1b. This implies that the 1c signal comes from an E 2 (2H) hydride isomer of E 2 (2H)/1b that stores its two reducing equivalents either as a hydride bridge between a different pair of iron atoms or an Fe-H terminal hydride.

A vast range of opportunities for feeding the world in 2050: trade-off between diet, N contamination and international trade

NASA Astrophysics Data System (ADS)

Billen, Gilles; Lassaletta, Luis; Garnier, Josette

2015-02-01

Through a detailed analysis of the FAO database, we have constructed a generalized representation of the nitrogen transfers characterizing the current agro-food system (GRAFS) of 12 macro-regions of the world in terms of functional relationships between crop farming, livestock breeding and human nutrition. Based on this model, and maintaining the current cropland areas and the performance of cropping and livestock systems in each region, we have assessed the possibilities of meeting the protein requirements of the estimated world population in 2050, according to various combinations of three critical drivers namely human diet (total amount of protein consumed and share of animal protein in this total), regional livestock production and crop fertilization intensity, in each region. The results show that feeding the projected 2050 world population would generally imply higher levels of inter-regional trade and of environmental nitrogen contamination than the current levels, but that the scenarios with less recourse to inter-regional trade generally produce less N losses to the environment. If an equitable human diet (in terms of protein consumption) is to be established globally (the same in all regions of the world), the fraction of animal protein should not exceed 40% of a total ingestion of 4 kgN capita-1 yr-1, or 25% of a total consumption of 5 kgN capita-1 yr-1. Our results show that slightly improving the agronomical performance in the most deficient regions (namely Maghreb, the Middle East, sub-Saharan Africa, and India) would make it possible not only to meet the global protein requirements with much less international trade (hence more food sovereignty), but also to reduce N environmental contamination the most efficiently.

Minimal supersymmetric B - L extension of the standard model, heavy H and light h Higgs boson production and decay at future e + e - linear colliders

NASA Astrophysics Data System (ADS)

Ramírez-Sánchez, F.; Gutierrez-Rodríguez, A.; Hernández-Ruiz, M. A.

2017-10-01

We study the phenomenology of the light h and heavy H Higgs boson production and decay in the context of a U(1) B - L extension of the standard model with an additional Z´ boson at future e + e - linear colliders with center-of-mass energies of √𝑠 = 500 - 3000 GeV and integrated luminosities of L = 500 - 2000 fb-1. The study includes the processes e + e - → (Z, Z´) → Zh and e + e - → (Z, Z´) → ZH, considering both the resonant and non-resonant effects. We find that the total number of expected Zh and ZH events can reach 106 and 105, respectively, which is a very optimistic scenario allowing us to perform precision measurements for both Higgs bosons h and H, as well as for the Z‧ boson in future high-energy and high-luminosity e + e - colliders.

Expected increase in staple crop imports in water-scarce countries in 2050

NASA Astrophysics Data System (ADS)

Chouchane, Hatem; Krol, Maarten; Hoekstra, Arjen

2017-04-01

Water scarcity is a major challenge in the coming decades. The increasing population and the changing pattern of water availability that results from global warming reduce the potential of sufficient food production in many countries over the world. Today, two thirds of the global population are already living under conditions of severe water scarcity at least one month of the year. This rises the importance of addressing the present and future relationship between water availability and food import in water-scarce countries. The net import of staple crops (barley, cassava, maize, millet and products, oats, potatoes, rice, rye, sorghum, soybeans, sweet potatoes, wheat and yams) is analysed in relation to water availability per capita for the period 1961-2010, considering five decadal averages. The relation found is used together with the low, medium and high population growth scenarios from the United Nations to project the staple crops import in water-scarce countries for the year 2050. Additionally, we investigate the uncertainties related to the three population scenarios. Results will help countries to better understand the impact of population growth and limited water resources on their future food trade. This study will provide a valuable supporting tool for policy makers towards more sustainable and water-efficient food production as targeted with the Sustainable Development Goals. Keywords: Water Availability, Food Import, Staple Crops, Water Scarcity, Water-Use Efficiency, Sustainable Development Goals.

I-V characteristics of graphene nanoribbon/h-BN heterojunctions and resonant tunneling.

PubMed

Wakai, Taiga; Sakamoto, Shoichi; Tomiya, Mitsuyoshi

2018-07-04

We present the first principle calculations of the electrical properties of graphene sheet/h-BN heterojunction (GS/h-BN) and 11-armchair graphene nanoribbon/h-BN heterojunction (11-AGNR/h-BN), which are carried out using the density functional theory (DFT) method and the non-equilibrium Green's function (NEGF) technique. Since 11-AGNR belongs to the conductive (3n-1)-family of AGNR, both are metallic nanomaterials with two transverse arrays of h-BN, which is a wide-gap semi-conductor. The two h-BN arrays act as double barriers. The transmission functions (TF) and I-[Formula: see text] characteristics of GS/h-BN and 11-AGNR/h-BN are calculated by DFT and NEGF, and they show that quantum double barrier tunneling occurs. The TF becomes very spiky in both materials, and it leads to step-wise I-[Formula: see text] characteristics rather than negative resistance, which is the typical behavior of double barriers in semiconductors. The results of our first principle calculations are also compared with 1D Dirac equation model for the double barrier system. The model explains most of the peaks of the transmission functions nearby the Fermi energy quite well. They are due to quantum tunneling.

Evidence for Altered Hippocampal Volume and Brain Metabolites in Workers Occupationally Exposed to Lead: A Study by Magnetic Resonance Imaging and 1H Magnetic Resonance Spectroscopy

PubMed Central

Jiang, Yue-Ming; Long, Li-Ling; Zhu, Xia-Yan; Zheng, Hong; Fu, Xue; Ou, Shi-Yan; Wei, Dong-Lu; Zhou, Hai-Lin; Zheng, Wei

2008-01-01

Environmental and occupational exposure to lead (Pb) remains to be a major public health issue. The purpose of this cross-sectional study was to use non-invasive magnetic resonance imaging (MRI) and proton magnetic resonance spectroscopy (1H MRS) techniques to investigate whether chronic exposure to Pb in an occupational setting altered brain structure and function of Pb-exposed workers. The Pb-exposed group consisted of 15 workers recruited from either a Pb-smelting factory or a Pb-battery manufacturer. The control group had 19 healthy volunteers who had no history of Pb exposure in working environment or at home. The average airborne Pb concentrations in fume and dust were 0.43 mg/m3 and 0.44 mg/m3, respectively in the smeltery, and 0.10 mg/m3 and 1.06 mg/m3, respectively in the Pb battery workshop. The average blood Pb concentrations (BPb) in Pb-exposed and control workers were 63.5 µg/dL and 8.7 µg/dL, respectively. The MRI examination showed that brain hippocampal volume among Pb-exposed workers was significantly diminished in comparison to age-matched control subjects (p<0.01), although the extent of this reduction was relatively small (5–6% of the control values). Linear regression analyses revealed significant inverse associations between BPb and the decreased hippocampal volume on both sides of brain hemisphere. Among five brain metabolites investigated by MRS, i.e., N-acetyl-aspartate (NAA), creatine (Cr), choline (Cho), inosine (mI), glutamate/glutamine (Glx) and lipids (Lip), a significant decrease in NAA/Cr ratio (7% of controls, p<0.05) and a remarkable increase in Lip/Cr ratio (40%, p<0.01) were observed in the brains of Pb-exposed workers as compared to controls. Furthermore, the increased Lip/Cr ratio was significantly associated with BPb (r = 0.46, p<0.01). Taken together, this study suggests that occupational exposure to Pb may cause subtle structural and functional alteration in human brains. The MRI and MRS brain imaging techniques can be

Bound states via Higgs exchanging and heavy resonant di-Higgs

NASA Astrophysics Data System (ADS)

Kang, Zhaofeng

2017-08-01

The existence of Higgs boson h predicted by the standard model (SM) was established and hunting for clues to new physics (NP) hidden in h has become the top priority in particle physics. In this paper we explore an intriguing phenomenon that prevails in NP associated with h, bound state (Bh, referring to the ground state only) of relatively heavy particles ϕ out of NP via interchanging h. This is well-motivated due to the intrinsic properties of h: It has zero spin and light mass, capable of mediating Yukawa interactions; moreover, it may be strongly coupled to ϕ in several important contexts, from addressing the naturalness problem by compositeness/supersymmetry (SUSY)/classical scale invariance to understanding neutrino mass origin radiatively and matter asymmetry by electroweak baryogensis. The new resonance Bh, being a neutral scalar boson, has important implications to the large hadron collider (LHC) di-Higgs search because it yields a clear resonant di-Higgs signature at the high mass region (≳ 1 TeV). In other words, searching for Bh offers a new avenue to probe the hidden sector with a Higgs-portal. For illustration in this paper we concentrate on two examples, the stop sector in SUSY and an inert Higgs doublet from a radiative neutrino model. In particular, h-mediation opens a new and wide window to probe the conventional stoponium and the current date begins to have sensitivity to stoponium around TeV.

Characterisation of slope directional resonance by analysing ambient noise instantaneous polarisation

NASA Astrophysics Data System (ADS)

Del Gaudio, Vincenzo; Wasowski, Janusz

2014-05-01

Several studies have shown that the dynamic response of landslide prone slopes to seismic shaking can play an important role in failure triggering during earthquakes. It was also demonstrated that slope seismic response is often characterised by directional resonance phenomena. Directivity can be revealed by the analysis of ambient noise recordings according to a technique known as HVNR method based on the analysis of azimuthal variation of spectral ratios between the spectral amplitude of horizontal H and vertical V component of noise recording. Directional resonance is then revealed by the presence of a preferential polarisation of H/V ratio peaks, whose frequencies correspond to resonance frequencies and whose amplitudes depend on the impedance contrast between surface material and bedrock. H/V ratio amplitudes can potentially provide information also on amplification factors. However, the relation is not straightforward depending on the nature of the waves contributing to the ambient noise. Thus, it is desirable to distinguish different kinds of noise wave packets, possibly isolating the contribution of Rayleigh waves, which appear to better reflect site response properties. To identify Rayleigh wave packets in noise recording a new approach was tested, based on a technique of analysis of instantaneous polarisation. The results are promising for the investigation of site response directional properties, particularly in the case of complex site conditions, where resonance can be characterised by multiple anisotropic peaks. In our preliminary tests of noise recordings carried out at a site located on a slope affected by landslides, only a small fraction of data samples (in the order of 1 %) were identified as Rayleigh type waves: this was likely due the fact that the noise recording was dominated by an overlapping of signals with different kinds of polarisation. Thus, it was possible to recognise Rayleigh polarisation only when the energy of this kind of wave was

Monitoring the kinetics of the pH driven transition of the anthrax toxin prepore to the pore by biolayer interferometry and surface plasmon resonance

PubMed Central

Naik, Subhashchandra; Brock, Susan; Akkaladevi, Narahari; Tally, Jon; Mcginn-Straub, Wesley; Zhang, Na; Gao, Phillip; Gogol, E. P.; Pentelute, B. L.; Collier, R. John; Fisher, Mark T.

2013-01-01

Domain 2 of the anthrax protective antigen (PA) prepore heptamer unfolds and refolds during endosome acidification to generate an extended 100 Å beta barrel pore that inserts into the endosomal membrane. The PA pore facilitates the pH dependent unfolding and translocation of bound toxin enzymic components, lethal factor (LF) and/or edema factor (EF), from the endosome into the cytoplasm. We constructed immobilized complexes of the prepore with the PA-binding domain of LF (LFN) to monitor the real-time prepore to pore kinetic transition using surface plasmon resonance (SPR) and bio-layer interferometry (BLI). The kinetics of this transition increased as the solution pH was decreased from pH 7.5 to pH 5.0, mirroring acidification of the endosome. Once transitioned, the LFN-PA pore complex was removed from the BLI biosensor tip and deposited onto EM grids, where the PA pore formation was confirmed by negative stain electron microscopy. When the soluble receptor domain (ANTRX2/CMG2) binds the immobilized PA prepore, the transition to the pore state was observed only after the pH was lowered to early or late endosomal pH conditions (5.5 to 5.0 respectively). Once the pore formed, the soluble receptor readily dissociated from the PA pore. Separate binding experiments with immobilized PA pores and soluble receptor indicate that the receptor has a weakened propensity to bind to the transitioned pore. This immobilized anthrax toxin platform can be used to identify or validate potential antimicrobial lead compounds capable of regulating and/or inhibiting anthrax toxin complex formation or pore transitions. PMID:23964683

Monitoring the kinetics of the pH-driven transition of the anthrax toxin prepore to the pore by biolayer interferometry and surface plasmon resonance.

PubMed

Naik, Subhashchandra; Brock, Susan; Akkaladevi, Narahari; Tally, Jon; McGinn-Straub, Wesley; Zhang, Na; Gao, Phillip; Gogol, E P; Pentelute, B L; Collier, R John; Fisher, Mark T

2013-09-17

Domain 2 of the anthrax protective antigen (PA) prepore heptamer unfolds and refolds during endosome acidification to generate an extended 100 Å β barrel pore that inserts into the endosomal membrane. The PA pore facilitates the pH-dependent unfolding and translocation of bound toxin enzymic components, lethal factor (LF) and/or edema factor, from the endosome to the cytoplasm. We constructed immobilized complexes of the prepore with the PA-binding domain of LF (LFN) to monitor the real-time prepore to pore kinetic transition using surface plasmon resonance and biolayer interferometry (BLI). The kinetics of this transition increased as the solution pH was decreased from 7.5 to 5.0, mirroring acidification of the endosome. Once it had undergone the transition, the LFN-PA pore complex was removed from the BLI biosensor tip and deposited onto electron microscopy grids, where PA pore formation was confirmed by negative stain electron microscopy. When the soluble receptor domain (ANTRX2/CMG2) binds the immobilized PA prepore, the transition to the pore state was observed only after the pH was lowered to early (pH 5.5) or late (pH 5.0) endosomal pH conditions. Once the pore formed, the soluble receptor readily dissociated from the PA pore. Separate binding experiments with immobilized PA pores and the soluble receptor indicate that the receptor has a weakened propensity to bind to the transitioned pore. This immobilized anthrax toxin platform can be used to identify or validate potential antimicrobial lead compounds capable of regulating and/or inhibiting anthrax toxin complex formation or pore transitions.

Virtual Compton scattering and neutral pion electroproduction in the resonance region up to the deep inelastic region at backward angles

NASA Astrophysics Data System (ADS)

Laveissière, G.; Degrande, N.; Jaminion, S.; Jutier, C.; Todor, L.; Salvo, R. Di; Hoorebeke, L. Van; Alexa, L. C.; Anderson, B. D.; Aniol, K. A.; Arundell, K.; Audit, G.; Auerbach, L.; Baker, F. T.; Baylac, M.; Berthot, J.; Bertin, P. Y.; Bertozzi, W.; Bimbot, L.; Boeglin, W. U.; Brash, E. J.; Breton, V.; Breuer, H.; Burtin, E.; Calarco, J. R.; Cardman, L. S.; Cavata, C.; Chang, C.-C.; Chen, J.-P.; Chudakov, E.; Cisbani, E.; Dale, D. S.; de Jager, C. W.; de Leo, R.; Deur, A.; D'Hose, N.; Dodge, G. E.; Domingo, J. J.; Elouadrhiri, L.; Epstein, M. B.; Ewell, L. A.; Finn, J. M.; Fissum, K. G.; Fonvieille, H.; Fournier, G.; Frois, B.; Frullani, S.; Furget, C.; Gao, H.; Gao, J.; Garibaldi, F.; Gasparian, A.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Gorbenko, V.; Grenier, P.; Guichon, P. A. M.; Hansen, J. O.; Holmes, R.; Holtrop, M.; Howell, C.; Huber, G. M.; Hyde, C. E.; Incerti, S.; Iodice, M.; Jardillier, J.; Jones, M. K.; Kahl, W.; Kamalov, S.; Kato, S.; Katramatou, A. T.; Kelly, J. J.; Kerhoas, S.; Ketikyan, A.; Khayat, M.; Kino, K.; Kox, S.; Kramer, L. H.; Kumar, K. S.; Kumbartzki, G.; Kuss, M.; Leone, A.; Lerose, J. J.; Liang, M.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Lourie, R. W.; Madey, R.; Maeda, K.; Malov, S.; Manley, D. M.; Marchand, C.; Marchand, D.; Margaziotis, D. J.; Markowitz, P.; Marroncle, J.; Martino, J.; McCormick, K.; McIntyre, J.; Mehrabyan, S.; Merchez, F.; Meziani, Z. E.; Michaels, R.; Miller, G. W.; Mougey, J. Y.; Nanda, S. K.; Neyret, D.; Offermann, E. A. J. M.; Papandreou, Z.; Perdrisat, C. F.; Perrino, R.; Petratos, G. G.; Platchkov, S.; Pomatsalyuk, R.; Prout, D. L.; Punjabi, V. A.; Pussieux, T.; Quémenér, G.; Ransome, R. D.; Ravel, O.; Real, J. S.; Renard, F.; Roblin, Y.; Rowntree, D.; Rutledge, G.; Rutt, P. M.; Saha, A.; Saito, T.; Sarty, A. J.; Serdarevic, A.; Smith, T.; Smirnov, G.; Soldi, K.; Sorokin, P.; Souder, P. A.; Suleiman, R.; Templon, J. A.; Terasawa, T.; Tiator, L.; Tieulent, R.; Tomasi-Gustaffson, E.; Tsubota, H.; Ueno, H.; Ulmer, P. E.; Urciuoli, G. M.; de Vyver, R. Van; der Meer, R. L. J. Van; Vernin, P.; Vlahovic, B.; Voskanyan, H.; Voutier, E.; Watson, J. W.; Weinstein, L. B.; Wijesooriya, K.; Wilson, R.; Wojtsekhowski, B. B.; Zainea, D. G.; Zhang, W.-M.; Zhao, J.; Zhou, Z.-L.

2009-01-01

We have made the first measurements of the virtual Compton scattering (VCS) process via the H(e, e'p)γ exclusive reaction in the nucleon resonance region, at backward angles. Results are presented for the W-dependence at fixed Q2=1GeV2 and for the Q2 dependence at fixed W near 1.5 GeV. The VCS data show resonant structures in the first and second resonance regions. The observed Q2 dependence is smooth. The measured ratio of H(e, e'p)γ to H(e, e'p)π0 cross sections emphasizes the different sensitivity of these two reactions to the various nucleon resonances. Finally, when compared to real Compton scattering (RCS) at high energy and large angles, our VCS data at the highest W (1.8-1.9 GeV) show a striking Q2 independence, which may suggest a transition to a perturbative scattering mechanism at the quark level.

Population aging and migration - history and UN forecasts in the EU-28 and its east and south near neighborhood - one century perspective 1950-2050.

PubMed

Jakovljevic, Mihajlo Michael; Netz, Yael; Buttigieg, Sandra C; Adany, Roza; Laaser, Ulrich; Varjacic, Mirjana

2018-03-16

There is a gap in knowledge on long term pace of population aging acceleration and related net-migration rate changes in WHO European Region and its adjacent MENA countries. We decided to compare European Union (EU-28) region with the EU Near Neighborhood Policy Region East and EU Near Neighborhood Policy Region South in terms of these two essential features of third demographic transition. One century long perspective dating back to both historical data and towards reliable future forecasts was observed. United Nation's Department of Economic and Social Affairs estimates on indicators of population aging and migration were observed. Time horizon adopted was 1950-2050. Targeted 44 countries belong to either one of three regions named by EU diplomacy as: European Union or EU-28, EU Near Neighborhood Policy Region East (ENP East) and EU Near Neighborhood Policy Region South (ENP South). European Union region currently experiences most advanced stage of demographic aging. The latter one is the ENP East region dominated by Slavic nations whose fertility decline continues since the USSR Era back in late 1980s. ENP South region dominated by Arab League nations remains rather young compared to their northern counterparts. However, as the Third Demographic Transition is inevitably coming to these societies they remain the spring of youth and positive net emigration rate. Probably the most prominent change will be the extreme fall of total fertility rate (children per woman) in ENP South countries (dominantly Arab League) from 6.72 back in 1950 to medium-scenario forecasted 2.10 in 2050. In the same time net number of migrants in the EU28 (both sexes combined) will grow from - 91,000 in 1950 to + 394,000 in 2050. Long term migration from Eastern Europe westwards and from MENA region northwards is historically present for many decades dating back deep into the Cold War Era. Contemporary large-scale migrations outsourcing from Arab League nations towards rich European

Nanomechanical resonance detector

DOEpatents

Grossman, Jeffrey C; Zettl, Alexander K

2013-10-29

An embodiment of a nanomechanical frequency detector includes a support structure and a plurality of elongated nanostructures coupled to the support structure. Each of the elongated nanostructures has a particular resonant frequency. The plurality of elongated nanostructures has a range of resonant frequencies. An embodiment of a method of identifying an object includes introducing the object to the nanomechanical resonance detector. A resonant response by at least one of the elongated nanostructures of the nanomechanical resonance detector indicates a vibrational mode of the object. An embodiment of a method of identifying a molecular species of the present invention includes introducing the molecular species to the nanomechanical resonance detector. A resonant response by at least one of the elongated nanostructures of the nanomechanical resonance detector indicates a vibrational mode of the molecular species.

Nqrs Data for C6H7F4N2OSb (Subst. No. 0879)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C6H7F4N2OSb (Subst. No. 0879)

Nqrs Data for C26H34N2O3V (Subst. No. 1601)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C26H34N2O3V (Subst. No. 1601)

Nqrs Data for C26H35Br2CuP2 (Subst. No. 1603)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume B 'Substances Containing C10H16 … Zn' of Volume 48 'Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains an extract of Section '3.2 Data tables' of the Chapter '3 Nuclear quadrupole resonance data' providing the NQRS data for C26H35Br2CuP2 (Subst. No. 1603)

Compact injector with alternating phase focusing-interdigital H-mode linac and superconducting electron cyclotron resonance ion source for heavy ion cancer therapy

NASA Astrophysics Data System (ADS)

Hayashizaki, Noriyosu; Hattori, Toshiyuki; Matsui, Shinjiro; Tomizawa, Hiromitsu; Yoshida, Toru; Isokawa, Katsushi; Kitagawa, Atsushi; Muramatsu, Masayuki; Yamada, Satoru; Okamura, Masahiro

2000-02-01

We have researched a compact medical accelerator with low investment and running cost for the popularization of heavy ion cancer therapy. As the first step, the compact injector system has been investigated for a Heavy Ion Medical Accelerator in Chiba at National Institute of Radiological Sciences. The proposed new injector system consists of a 6 MeV/u interdigital H-mode (IH) linac of 3.1 m long and a 18 GHz superconducting electron cyclotron resonance (ECR) (SC-ECR) ion source. The IH linac with high power efficiency is appropriate to a medical and industrial injector system. Its beam trajectory was simulated and a prototype has been constructed. The SC-ECR ion source has been designed to realize lightweight and low power consumption and the mirror field distribution was estimated.

Magnetic Resonance Imaging-Guided Multi-Drug Chemotherapy and Photothermal Synergistic Therapy with pH and NIR-Stimulation Release.

PubMed

Yang, Ji-Chun; Chen, Yang; Li, Yu-Hao; Yin, Xue-Bo

2017-07-12

The combination of multidrug chemotherapy and photothermal therapy (PTT) enhances cancer therapeutic efficacy. Herein, we develop a simple and smart pH/NIR dual-stimulus-responsive degradable mesoporous CoFe 2 O 4 @PDA@ZIF-8 sandwich nanocomposite. The mesoporous CoFe 2 O 4 core acts as T 2 -weighted magnetic resonance (MR) imaging probe, PTT agent, and loading platform of hydrophilic doxorubicin (DOX). A polydopamine (PDA) layer is used to avoid the premature leakage of DOX before arriving at tumor site, enhance PTT efficiency, and facilitate the integration of ZIF-8 (a kind of metal-organic framework). The ZIF-8 shell serves to encapsulate hydrophobic camptothecin (CPT) and as the switch for the pH and NIR stimulation-responsive release of the two drugs. Therefore, T 2 -weighted MR imaging-guided multidrug chemotherapy and PTT synergistic treatment is achieved. Two kinds of anticancer drugs, hydrophilic DOX and hydrophobic CPT, are successfully loaded in CoFe 2 O 4 and ZIF-8, respectively, so no mutual interference between the two drugs exists. A unique two-stage stepwise release process is exhibited for CPT and DOX with an interval of 12 h to improve the anticancer efficacy under the acidic microenvironment of tumor tissue. NIR irradiation achieves the burst drug-release and PTT after laser stimulation, simultaneously. With this smart design, high drug concentration is achieved at the tumor site by quick release, especially for the therapeutic drugs that show nonlinear pharmacokinetics, and PTT is integrated efficiently. Furthermore, negligible biotoxicity and a remarkable synergic antitumor effect of the hybrid nanocomposites are validated by HepG2 cells and tumor-bearing mice as models. Our multidrug delivery-releasing composite improves tumor therapeutic efficiency significantly compared with a single-drug chemotherapy system. The simple multifunctional composite system can be applied as an effective platform for personal nanomedicine with diagnosis, smart

Computing resonance energies, widths, and wave functions using a Lanczos method in real arithmetic.

PubMed

Tremblay, Jean Christophe; Carrington, Tucker

2005-06-22

We introduce new ideas for calculating resonance energies and widths. It is shown that a non-Hermitian-Lanczos approach can be used to compute eigenvalues of H+W, where H is the Hamiltonian and W is a complex absorbing potential (CAP), without evaluating complex matrix-vector products. This is done by exploiting the link between a CAP-modified Hamiltonian matrix and a real but nonsymmetric matrix U suggested by Mandelshtam and Neumaier [J. Theor. Comput. Chem. 1, 1 (2002)] and using a coupled-two-term Lanczos procedure. We use approximate resonance eigenvectors obtained from the non-Hermitian-Lanczos algorithm and a very good CAP to obtain very accurate energies and widths without solving eigenvalue problems for many values of the CAP strength parameter and searching for cusps. The method is applied to the resonances of HCO. We compare properties of the method with those of established approaches.

A guide to the metabolic pathways and function of metabolites observed in human brain 1H magnetic resonance spectra.