magic-angle spinning nmr: Topics by WorldWideScience.org

Unilateral NMR, 13C CPMAS NMR spectroscopy and micro-analytical techniques for studying the materials and state of conservation of an ancient Egyptian wooden sarcophagus

This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with [sup 13]C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl ...

1992-11-25

3

British Library Electronic Table of Contents (United Kingdom)

A multi-technique approach was employed to study a decorated Egyptian wooden sarcophagus (XXV?XXVI dynasty, Third Intermediate Period), belonging to the Museo del Vicino Oriente of the Sapienza University of Rome. Portable non-invasive unilateral NMR was applied to evaluate the conservation state of the sarcophagus. Moreover, using unilateral NMR, a non-invasive analytical protocol was established to detect the presence of organic substances on the surface and/or embedded in the wooden matrix. This protocol allowed for an educated sampling campaign aimed at further investigating the state of degradation of the wood and the presence of organic substances by 13C cross polarization magic angle spinning (CPMAS) NMR spectroscopy. The composition of the painted layer was analysed by optical micr...

2011-01-01

4

Two dimensional NMR and NMR relaxation studies of coal structure. Progress report, July 1, 1992--September 30, 1992

Consolidated silica glass from nanoparticles

This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl ...

1992-11-25

5

Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin

A dense silica glass was prepared by consolidating a highly dispersed silicic acid powder (particle size 1H magic-angle spinning (MAS) NMR confirmed an increase in hydroxyl groups in the sample prepared by SPS relative to that of the conventional SiO2 reference glass. Aside from the comparably high water content, we conclude from the similarity of the IR-reflectance and the 29Si MAS NMR spectra of the SPS sample and the corresponding spectra of the conventionally prepared silica glass, that the short- and medium-range order is virtually the same in both materials. Raman spectroscopy, however, suggests that the number of three- and four-membered rings is significantly smaller in the SPS sample compared to the conventionally prepared sample. Based on these results we conclude that it is possible to prepare glasses by compacting amorphous powders by the SPS process. The SPS process may therefore enable the ...

2008-09-01

6

Aluminum siting in mordenite and dealumination mechanism

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: ''"2H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. ...

1998-12-01

7

Current applications of magnetic resonance in coal liquefaction research

The dealumination of mordenite by acidification (HCl, HNO/sub 3/) and by SiCl/sub 4/ and steaming treatments is followed by high-resolution magic-angle-spinning solid-state /sup 29/Si and /sup 27/Al NMR spectroscopy. The combined use of these techniques leads to the determination of the silicon-aluminum ordering. It is demonstrated that aluminum atoms preferentially occupy tetrahedral positions in the four-membered rings of the mordenite structure. In addition, a mechanism of dealumination can be inferred, consisting in removing the aluminum atoms two by two from the four-membered rings. It is also possible to compute the number of SiOH groups left in the unit cell after the progressive removal of aluminum atoms: four groups per extracted Al atom are generated in the beginning of dealumination and this number gradually decreases to two, suggesting that a structural reorganization must necessarily occur for substantial dealumination. These ...

1986-10-09

8

High-resolution NMR on /sup 29/Si nuclei in acidic zeolites

Some applications of magnetic resonance in coal liquefaction research described briefly are: (1) investigation of the nature of carbon deposits on used coal-liquefaction catalysts, (2) determination of the fate of hydrogen during coal liquefaction, and (3) observation of transient free radicals during coal pyrolysis. The first two applications make use of cross-polarization /sup 13/C magnetic resonance combined with magic angle spinning, and the third application is an electron spin resonance study. (BLM)

1982-01-01

9

[sup 1]H[[sup 27]Al] double-resonance experiments in solids. An unexpected observation in the [sup 1]H MAS spectrum of zeolite HZSM-5

The effect of treatment of Na-forms of zeolites with HCl solutions and of heat treatment of their NH/sub 4/-forms on the stability of aluminum-oxygen tetrahedra has been studied in this work by high-resolution NMR on /sup 29/Si nuclei, using the synthetic zeolites X, Y, and M (mordenite) as the objects of the study. The exchange capacity with respect to Na/sup +/ ions was determined by analyzing the equilibrium solutions after contact of the samples with 0.5 NH/sub 4/Cl solution on a flame photometer. The high-resolution /sup 29/Si NMR spectra of polycrystalline samples were recorded on an SKhR-200 spectrometer with a superconducting solenoid at a frequency of 39.75 MHz with ultrafast mechanical rotation (3 kHz) of the sample at the magic angle to the external magnetic field. The results obtained are given.

1986-12-01

10

Radiation testing of organic ion exchange resins

We report the existence of a previously unsuspected peak in the [sup 1]H magic angle spinning spectrum of commercially available HZSM-5 samples. At 298 K, this resonance is a broad shoulder on the downfield side of the Bronsted acid signal at 4.3 ppm. Cooling the sample caused the line to narrow, and a clear peak at 6.9 ppm was visible at 123 K. This technique resulted in selective broadening of the 4.3 and 6.9 ppm resonances as a result of conflicting averaging of the [sup 1]H-[sup 27]Al dipolar coupling. We conclude that the 6.9 ppm resonance corresponds to a novel aluminum-containing site in zeolite HZSM-5 and is not an artifact due to exchange with the Bronsted site or an aluminum-rich impurity phase. A possible interpretation of these results is a second Bronsted site for the zeolite. 49 refs., 8 figs.

1994-10-19

11

Radiation testing of organic ion exchange resins

A number of ion exchange materials are being evaluated as part of the Tank Waste Remediation System (TWRS) Pacific Northwest Laboratory (PNL) Pretreatment Project for the removal of "1"3"7Cs from aqueous tank wastes. Two of these materials are organic resins; a phenol-formaldehyde resin (Duolite CS-100) produced by Rohm and Haas Co. (Philadelphia, Pennsylvania) and a resorcinol-formaldehyde (RF) resin produced by Boulder Scientific Co. (Mead, Colorado). One of the key parameters in the assessment of the organic based ion exchange materials is its useful lifetime in the radioactive and chemical environment that will be encountered during waste processing. The focus of the work presented in this report is the radiation stability of the CS-100 and the RF resins. The scope of the testing included one test with a sample of the CS-100 resin and testing of two batches of the RF resin (BSC-187 and BSC-210). Samples of the exchangers were irradiated with a "6"0Co source to a total absorbed dose ...

1983-04-11

12

Assessment of structural changes of human teeth by low-field nuclear magnetic resonance (NMR)

A number of ion exchange materials are being evaluated as part of the Tank Waste Remediation System (TWRS) Pacific Northwest Laboratory (PNL) Pretreatment Project for the removal of {sup 137}Cs from aqueous tank wastes. Two of these materials are organic resins; a phenol-formaldehyde resin (Duolite CS-100) produced by Rohm and Haas Co. (Philadelphia, Pennsylvania) and a resorcinol-formaldehyde (RF) resin produced by Boulder Scientific Co. (Mead, Colorado). One of the key parameters in the assessment of the organic based ion exchange materials is its useful lifetime in the radioactive and chemical environment that will be encountered during waste processing. The focus of the work presented in this report is the radiation stability of the CS-100 and the RF resins. The scope of the testing included one test with a sample of the CS-100 resin and testing of two batches of the RF resin (BSC-187 and BSC-210). Samples of the exchangers were irradiated with a {sup 60}Co source to a total ...

1995-09-01

13

Sorption equilibrium and hydration studies of lysozyme: water activity and 360-MHz proton NMR measurement

A technique of low-field pulsed proton nuclear magnetic resonance (NMR) spin relaxation is described for assessment of age-related structural changes (dentin and pulp) of human teeth in...Full Text Available

2010-01-01

14

Modulation of proton NMR free induction decay by spin diffusion

An attempt to determine lysozyme hydration by employing a proton nuclear magnetic resonance (NMR) spin-echo technique and to correlated such measurements with the 20 "0C sorption equilibrium data is made. Determinations of specific site hydration for lysozyme, as well as proton NMR transverse relaxation rates for five different types of water populations in the lysozyme-water system, are presented over the whole range of lysozyme concentrations. The proton spin-echo NMR results are consistent with a three-component analysis of the sorption isotherm up to 70% water content, above which two additional water populations are identified by 360-MHz proton NMR spin-echoes. On the basis of the proton NMR results, a major component (III) of the lysozyme sorption isotherm is assigned to the water trapped between lysozyem ...

15

NMR at earth's magnetic field using para-hydrogen induced polarization

The effects of spin diffusion on the free induction decay (FID) of protons associated with the noncrystalline domains of two polymers, polyethylene and blended Nylon 66 (ZYTEL-408), have been examined using Goldman--Shen NMR pulse sequence ((1/2)..pi..x-t/sub 0/-(1/2)..pi..x-bar-tau-(1/2)..pi..x-t). At tau< or approx. =100 ..mu..s, the FID is drastically distorted from the exponential form while at longer tau(tau> or approx. =500 ..mu..s) an exponential FID is observed; but its transverse spin relaxation rate is smaller than that of the FID obtained after a single (1/2)..pi..x pulse and approaches this value at the limit of large tau. These findings are interpreted in terms of the theory of rapid spin diffusion. The spatial variation in the spin relaxation rate within the noncrystalline domain is inferred.

1982-02-01

16

British Library Electronic Table of Contents (United Kingdom)

A method to achieve NMR of dilute samples in the earth's magnetic field by applying para-hydrogen induced polarization is presented. Maximum achievable polarization enhancements were calculated by numerically simulating the experiment and compared to the experimental results and to the thermal equilibrium in the earth's magnetic field. Simultaneous 19F and 1H NMR detection on a sub-milliliter sample of a fluorinated alkyne at millimolar concentration (1018 nuclear spins) was realized with just one single scan. A highly resolved spectrum with a signal/noise ratio higher than 50:1 was obtained without using an auxiliary magnet or any form of radio frequency shielding.

2011-01-01

17

Molecular dynamic study of different regions of Angelin Pedra (Himenolobium paetrum) wood by low field NMR

Theory of NMR multiple echoes in solid hydrogen

Angelin Pedra is a specie found in the north of Mato Grosso State in Brazil, where an expressive volume of waste of this wood is produced. An alternative to recycle this waste is to produce wood plastic composites. However, structural and chemical investigations are fundamental to generate information for this use. In the present work, low field NMR was used to determine the spin-lattice and spin-spin relaxation times with objective to investigate the molecular dynamic behavior of the alburnu and cerne regions of Angelin Pedra aiming at a potential use of this waste wood in polymeric composites. The results of the proton spin-lattice relaxation time (T1H) and the proton spin-spin relaxation time (T2H) showed at least three different mobility domains for both regions. Among the values, one was very flexible and other was rigid. Knowing that wood is a polymer composite basically ...

2005-11-06

18

High Magnetic Field NMR Studies of LiVGe$_2$O$_6$, a quasi 1-D Spin $S = 1$ System

We have examined the theory of NMR multiple echoes developed for solid {sup 3}He to determine whether multiple echoes could be observed in solid hydrogen. We were particularly interested in the possibility of testing for low frequency quantum tunneling motions in solid hydrogen by the observation of multiple echoes. We find that for easily accessible nuclear spin polarizations, P > 12%, multiple echoes would be observed for HD impurities in solid parahydrogen if motional narrowing is effective in increasing the HD nuclear spin-spin relaxation time T{sub 2} to the order of 1 msec. These values for T{sub 2}, which have been observed for HD impurity concentrations of the order of 1%, are larger than the calculated rigid lattice values and can be attributed to quantum tunneling at frequencies of the order of 1kHz.

1995-11-01

19

Studies of the involvement of metal ions with several medicinal agents

We report $^{7}$Li pulsed NMR measurements in polycrystalline and single crystal samples of the quasi one-dimensional S=1 antiferromagnet LiVGe$_2$O$_6$, whose AF transition temperature is $T_{\\text{N}}\\simeq 24.5$ K. The field ($B_0$) and temperature ($T$) ranges covered were 9-44.5 T and 1.7-300 K respectively. The measurements included NMR spectra, the spin-lattice relaxation rate ($T_1^{-1}$), and the spin-phase relaxation rate ($T_2^{-1}$), often as a function of the orientation of the field relative to the crystal axes. The spectra indicate an AF magnetic structure consistent with that obtained from neutron diffraction measurements, but with the moments aligned parallel to the c-axis. The spectra also provide the $T$-dependence of the AF order parameter and show that the transition is either second order or weakly first order. Both the spectra and the $T_1^{-1}$ data show that $B_0$ has at most ...

2001-01-01

20

Imazalil-cyclomaltoheptaose (beta-cyclodextrin) inclusion complex: preparation by supercritical carbon dioxide and 13C CPMAS and 1H NMR characterization.

NMR and CD studies indicate that Mg/sup 2 +/ and Ca/sup 2 +/ are able to change the conformation of tetracycline in DMSO solution. This may affect the in vivo effect of tetracycline. Using /sup 23/Na NMR, the formation constant of NaLAS (LAS represents the anion of lasalocid A) was found to be 80 M/sup -1/ which is much smaller than that in less polar solvents. Spin-lattice relaxation measurements were made to study the binding sites of Gd/sup 3 +/ on Las in ChCl/sub 3/-DMF mixed solvent system. No intermediate conformation (between cyclic and open-chain) was found. LAS was found to be a good second-sphere ligand to inert transition-metal amines. NMR studies suggest that LAS is in cyclic conformation when bound to these metal amines. A new method for the synthesis of spin-labeled anticancer Pt(II) complexes was developed. It is very simple and gives high yield of pure ...

1985-01-01

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21

Solid-state NMR on polymers and quantum computing NMR

An inclusion complex between imazalil (IMZ), a selected fungicide, and cyclomaltoheptaose (beta-cyclodextrin, betaCD) was obtained using supercritical fluid carbon dioxide. The best preparation conditions were determined, and the inclusion complex was investigated by means of 1H NMR spectroscopy in aqueous solution and 13C CPMAS NMR spectroscopy in the solid state. Information on the geometry of the betaCD/IMZ complex was obtained from ROESY spectroscopy, while the dynamics of the inclusion complex in the kilohertz range was obtained from the proton spin-lattice relaxation times in the rotating frame, T(1rho) (1H). PMID:14553984

2003-10-10

22

Measurement of the Self-Diffusion Coefficient of Water as a Function of Position in Wheat Grain Using Nuclear Magnetic Resonance Imaging

No abstract prepared.

2005-07-01

23

Vibrational population dynamics in liquids and glasses: IR pump-probe experiments from 10 K to 300 K

A pulsed field gradient spin echo sequence has been incorporated in a nuclear magnetic resonance (NMR) imaging experiment to provide an image contrast dependent on local molecular self-diffusion. The...Full Text Available

1988-01-01

24

Syntheses of all singly labeled (/sup 15/N)adenines: mass spectral fragmentation of adenine

The temperature dependent vibrational relaxation of the CO stretching mode of Rhodium dicarbonyl acetylacetonate (Rh(CO){sub 2}(acac)) and tungsten hexacarbonyl (W(CO){sub 6}) in dibutylphthalate (DBP) and 2-methylpentane (2-MP) were measured with IR pump and probe (P-P) experiments. The experiments were performed with {approximately}1.5 ps pulses generated by the Stanford superconducting accelerator pumped free electron laser (FEL). Measurements were performed on the Rh(CO){sub 2}(acac) CO asymmetric stretching mode at {lambda} = 4.98{mu}m from 10 K to 300 K. Both the parallel and magic angle probe polarizations decay curves are biexponential over the entire temperature range. The slow component (ranging from 40 ps at 300 K to 55 ps at 10K) is attributed to the population relaxations. For the fast component (ranging from 4-5 ps at 300 K to 13-15 ps at 10K), we propose a mechanism of spectral diffusion, in contrast to the previously proposed ...

1995-12-31

25

Studies of weak hcp "3He-"4He solution decomposition and magnetic properties of decomposed samples

Syntheses of all five of the singly labeled (/sup 15/N)adenines are now provided. The presence or absence of two-bond /sup 15/N-/sup 1/H spin couplings in their /sup 1/H NMR spectra confirm the location of the isotope in each case. The fragmentation patterns in their mass spectra are indicative of the sequential losses of HCN units and of CH/sub 2/N/sub 2/ from adenine upon electron impact.

1981-07-01

26

NMR study of Ba2"+ ion motion in one-dimensional ionic conductor with hollandite-type structure

The information is reported on the kinetics of decomposition of weak hcp "3He-"4He solutions with the starting "3He concentration 0.5#+-#0.1% and 1.20#+-#0.2% under the sample pressure 3.5 to 3.8 MPa before the decomposition. The NMR technique of the prompt control of the phase separation process is developed. To accelerate the metastable phase decomposition, the samples were thermally cycled at temperatures below 100 mK. Using the pulse NMR method, the magnetic susceptibility of "3He nuclei and the spin-lattice T_1 and spin-spin T_2 relaxation times were measured on three samples of the decomposed solid solutions with the starting "3He concentration 0.5% at the pressures 3.53, 3.71 and 3.78 MPa. Above 10 mK the Curie-Weiss constant was two to three times higher than the values typical of bulk bcc "3He of the corresponding density. Below 10 mK the magnetic susceptibility was observed to deviate from the ...

27

NMR in highly correlated superconductors

Ionic motion of a divalent cation, Ba"2"+, in a single crystal of Ba-Al-priderite was studied using "2"7Al as an NMR probe. Several pairs of satellite peaks due to electric quadrupole interaction were observed superposed on broad satellite tails on both sides of the main peak of "2"7Al. These peak pairs indicate the existence of some stable three-dimensional configurations of Ba"2"+ ions in the structure, and the broad shoulders show a random substitution of Al"3"+ for Ti"4"+ sites. The temperature dependence of the spin-lattice relaxation time T"*_l measured in the temperature range from 161 to 1176 K was analyzed by a curve fitting method on the assumption that there are two types of Ba"2"+ ions. An activation energy of 0.47 eV was obtained for the motion of Ba"2"+ ions which are easy to move, and a broad distribution of activation energies spread over a range from 0.95 to 2.45 eV was obtained for the motion of Ba"2"+ ions which form a ...

28

Solid-state NMR Techniques for Chemistry Research

Results of our systematic NMR study in high T_c cuprates are reviewed. The antiferromagnetic spin fluctuations (AFSF) decrease in the order of La_1_._8_5Sr_0_._1_5CuO_4. YBa_2Cu_3O_7 and Tl_2Ba_2CuO_6_+_y. 1/T_1 of "6"3Cu in the CuO_2 plane in the normal state follows essentially a Curie-Weiss law at high temperature and T_1T = const. law at low temperature. The temperature dependence of 1/T_1 and the Knight shift together with their impurity effect in the superconducting state strongly suggest d-wave pairing implying the AFSF to be responsible for the occurrence of superconductivity. From the NQR frequency measurement the density of Cu 3d and O 2p holes decreases and increases, respectively, in the order of La, Y and Tl compounds, which is consistent with the change of AFSF. The relation between T_c and #nu#_Q, and their pressure dependence suggest that there exists and optimum value of the ratio of Cu 3d and O 2p hole density to give a ...

1992-08-01

29

NMR spectroscopy study of serum lipids from HIV patients

No abstract prepared.

2000-09-01

30

KAIS Resistive NMR-CT and Its Clinical Application

Short communication.

1996-12-31

31

Vacancy ordering and oxygen dynamics in oxide ion conducting La1-xSrxGa1-xMgxO3-x ceramics: 71Ga, 25Mg and 17O NMR

Full Text Available

1985-01-01

32

Heterodifunctional ligands derived from monooxidized Bis(phosphino)amines. Synthesis and transition metal (Molybdenum(0), Tungsten(0), Rhodium(I), Palladium(II), and Platinum(II)) complexes of (Diphenylphosphino)(diphenylphosphinothioyl)- and (Diphenylphosphino) (diphenylphosphinoselenoyl)phenylamine, Ph[sub 2]PN(Ph)P(E)PH[sub 2] (E = S, Se). Crystal and molecular structure of the Pt(II) Complex [Cl[sub 2]P[ovr tPPh[sub 2]N(Ph)P(S)]Ph[sub 2

The oxygen vacancies distribution in the rigid lattice and the thermally activated motion of oxygen atoms are studied in La1-xSrxGa1-xMgxO3-x (x=0.00; 0.05; 0.10; 0.15 and 0.20) compounds. For that 71Ga, 25Mg and 17O NMR was performed from 100 K up to 670 K, and ion conductivity measurements were carried out up to 1273 K. The comparison of the electric field gradients at the Ga- and Mg-sites evidences that oxygen vacancies appear exclusively near gallium cations as a species trapped below room temperature in local clusters, GaO5/2-#square#-GaO5/2. These clusters decay at higher temperature into mobile constituents of the structural octahedra Ga(O5/6#square#1/6)6/2. At the same time, the nearest octahedral oxygen environment of magnesium cations persists at different doping levels. The case of two adjacent vacant anion sites is found highly unlikely within the studied doping range. The thermally activated oxygen motion starts to develop above room temperature as is ...

2011-01-01

33

Structure and magnetic properties of the UNi_1_0_-_xFe_xSi_2 system and "2"9Si nuclear magnetic resonance in UNi_1_0Si_2

Bis(diphenylphosphino)phenylamine can be selectivity oxidized by S or Se in toluene or hexane solvents to the monooxidized thioyl or selenoyl products Ph[sub 2]PN(PH)PPh[sub 2]=E, (E = S, Se). These compounds act as bidentate chelate ligands toward metal complexes forming (CO)[sub 4]M(LL) (M = Mo, W), CO(Cl)Rh(LL), and Cl[sub 2]M(LL), (M = Pt, Pd) where (LL) is the thioyl or selenoyl derivative of the aminobis(phosphine). IR and NMR data are given for all complexes. The carbonyl infrared stretching frequencies show that the chelates form with the phosphine cis to any CO which is present. The [sup 31]P NMR of all complexes of two doublets except for the Rh complexes wherein the Rh spin also couples to phosphorous to produce two doublets of doublets. The [sup 2]J[sub PP] values range from 56 to 112 Hz. [sup 1]J[sub PSe] coupling provide valuable assistance for the assignment of the phosphorus resonances which range widely ...

1993-12-08

34

NMR of a synthetic peptide spanning the triphosphate binding site of adenosine 5'-triphosphate in actin

Structure and magnetic properties of UNi_1_0_-_xFe_xSi_2 intermetallics and "2"9Si nuclear magnetic resonance (NMR) in UNi_1_0Si_2 are investigated in a wide temperature range. Solid solutions in the exactly single-phase tetragonal form, ThMn_1_2 type, exist for x<2. The Ni and Fe atoms occupy the 8(f), 8(i) and 8(j) positions statistically, whereas the U atoms occupy the 2(a) and the Si atoms the 8(j) sites. The lattice parameters roughly follow Vegard's law. The magnetic susceptibility does not exhibit Curie-Weiss behaviour and, at about 630 K, an anomaly in the temperature dependence is observed. At low temperature, other anomalies are observed at 32 K and 45 K, for x=0.5 and 1.0 respectively. These low temperature anomalies are probably connected with magnetic ordering of a ferromagnetic character, whereas that at 630 K might result from the superparamagnetic state of Ni. Two "2"9Si NMR lines in UNi"1"0Si"2 were observed with the Knight ...

1993-09-01

35

Contribution to the experimental study of the polarized liquid helium-3; Contributions a l'etude experimentale de l'helium-3 liquide polarise

The amino acid residues 114-118 in actin were found to be implicated strongly in the binding of nucleotide, and as would be expected for such an important binding site, they are located in a completely conserved region of the actin sequence. A 19-residue peptide with the actin sequence 106-124 was synthesized in order to span the putative triphosphate binding site. Proton NMR spectra of the actin peptide 114-118 in the presence and absence of ATP indicated that Arg-116 and Lys-118 are particularly involved in binding ATP. A strong binding of ATP to the peptide 106-124 also was measured. Tripolyphosphate bound to the peptide 106-124 somewhat more weakly than ATP. Binding involved residues 115-118 and 121-124, indicating the presence of a reverse turn between these segments. Proton resonances were assigned by using two-dimensional double quantum correlated spectroscopy, one-dimensional spin decoupling techniques, one-dimensional nuclear ...

1987-03-10

36

Design and Construction of a Versatile Dual Volume Heteronuclear Double Resonance Microcoil NMR Probe

Spin-polarized liquid helium-3 is prepared by laser optical pumping in low magnetic field and at room temperature, prior to fast liquefaction of the polarized sample. The use of a new helium-3 cryostat enabled us to obtain liquid helium-3 with polarization rates up to 25 % at well-stabilized temperatures (around 0.5 K). We could thereby study the effect of nuclear polarization on liquid-vapour equilibrium, and particularly on the saturated vapour pressure. Very sensitive capacitive gauges were developed. We estimated (to first order in M{sup 2}) the expected effects when the polarization M is suddenly destroyed. These effects were experimentally observed in helium-3/helium-4 mixtures, in pure helium-3, only a transient increase in pressure has been recorded. We then describe in a third part a preliminary experiment which aimed at determining the longitudinal relaxation time T1 in mixtures. Relaxation on the walls is efficiently reduced by a cesium coating and T1s ...

1999-07-15

37

ESR studies of spin-labeled membranes aligned by isopotential spin-dry ultracentrifugation: lipid-protein interactions.

Improved NMR detection of mass limited samples can be obtained by taking advantage of the mass sensitivity of microcoil NMR, while throughput issues can be addressed using multiple, parallel...Full Text Available

2009-04-01

38

Electron spin resonance (ESR) studies have been performed on spin-labeled model membranes aligned using the isopotential spin-dry ultracentrifugation (ISDU) method of Clark and Rothschild. This method...Full Text Available

1994-12-01

39

{sup 13}C-NMR signal enhancement by using parahydrogen induced polarization (PGIP) and appropriate pulse sequences

High resolution of NMR spectroscopic data of biosamples are a rich source of information on the metabolic response to physiological variation or pathological events. There are many advantages...Full Text Available

2010-01-01

40

QCCM - Center for NMR Quantum Information Processing

No abstract prepared.

2009-07-01

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41

NMR-based Enantiodifferentiation of Chiral trans-2-Phenylcyclopropane Derivatives Using a Chiral Lanthanide Shift Reagent

... decoherence. Descriptors : *QUANTUM COMPUTING, NUCLEAR MAGNETIC RESONANCE, JOSEPHSON JUNCTIONS. Subject ...

2011-02-16

42

NMR assignment of the cAMP-binding domain A of the PKA regulatory subunit

Full Text Available

2011-06-01

43

Carbon-13 NMR analysis of shale oil and shale oil derived jet fuels

No abstract prepared.

2006-12-15

44

Projection-type Fast Spin Echo Imaging

No Abstract Available

1981-01-01

45

Evidence for asymmetric shapes from high-spin odd-A spectra

Full Text Available

2000-06-01

46

Spin Modulation in Semiconductor Lasers

... coupling deformed nuclei gold 195 high spin states iridium 187 moment of

47

Investigation of lithium niobate nonstoichiometric monocrystals by the NMR method

We provide an analytic study of the dynamics of semiconductor lasers with injection (pump) of spin-polarized electrons, previously considered in the steady-state regime. Using complementary approaches of quasi-static and small signal analyses, we elucidate how the spin modulation in semiconductor lasers can improve performance, as compared to the conventional (spin-unpolarized) counterparts. We reveal that the spin-polarized injection can lead to an enhanced bandwidth and desirable switching properties of spin-lasers.

2010-01-01

48

Biochemical monitoring of black raspberry (Rubus coreanus Miquel) fruits according to maturation stage by ^1H NMR using multiple solvent systems

The paper studies the effect of crystal structure of LiNbO_3 monocrystals on NMR spectra of "7 Li and "9"3 Nb. Models of defect structure are analyzed via comparison of NMR experimental spectra and gradients of electrical field predicted on the basis of the calculations on "7 Li and "9"3 Nb nuclei using the relevant model. It is shown that no one of the main models of lithium niobate defect structure explains the peculiarities of NMR spectra. Conclusions are made about the independence of the reasons of occurrence of NMR additions lines "7 Li and "9"3 Nb, as well as, about links of "9"3 Nb NMR weak additional lines with the ranges of a different crystalline phase that may form while growing. 18 refs., 2 figs., 3 tabs.

49

British Library Electronic Table of Contents (United Kingdom)

Nuclear magnetic resonance (NMR) techniques coupled with multivariate data analysis were used to conduct monitoring of biochemical changes of black raspberry fruits at different stages of maturation and under various extraction and NMR dissolution solvent conditions: extraction with 50% methanol and D"2O as an NMR dissolution solvent, extraction with 50% methanol and 50% methanol-d"4 as an NMR dissolution solvent, and extraction with 100% ethyl acetate and 100% methanol-d"4 as an NMR dissolution solvent. Partial least-squares discriminant analysis reliably distinguished black raspberry fruits according to the maturation stage, whereby the relative levels of various compounds such as amino acids, organic acids, sugars and phenolic compounds were compared using analysis of variance. Sucrose ...

2011-01-01

50

Identification of triterpene saponine separated from Potentilla erecta (L.) rhizome on the base of {sup 13}C NMR spectra analysis; Identyfikacjie saponin triterpenowych wyizolowanych z klacza Potentilla Erecta (L.) na podstawie analizy {sup 13}C - NMR

Fluorine-19 NMR Chemical Shift Probes Molecular Binding to Lipid Membranes

No abstract prepared

1995-12-31

51

Solution processable fluorenyl hexa-peri-hexabenzocoronenes in organic field-effect transistors and solar cells

The binding of amphiphilic molecules to lipid bilayers is followed by ¹⁹F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available

2008-05-22

52

Sc"4"5 NMR of scandium(3) salt aqueous solutions

The organization of organic semiconductor molecules in the active layer of organic electronic devices has important consequences to overall device performance. This is due to the fact that molecular organization directly affects charge carrier mobility of the material. Organic field-effect transistor (OFET) performance is driven by high charge carrier mobility while bulk heterojunction (BHJ) solar cells require balanced hole and electron transport. By investigating the properties and device performance of three structural variations of the fluorenyl hexa-peri-hexabenzocoronene (FHBC) material, the importance of molecular organization to device performance was highlighted. It is clear from {sup 1}H NMR and 2D wide-angle X-ray scattering (2D WAXS) experiments that the sterically demanding 9,9-dioctylfluorene groups are preventing {pi}-{pi} intermolecular contact in the hexakis-substituted FHBC 4. For bis-substituted FHBC compounds 5 and 6, {pi}-{pi} intermolecular ...

2010-03-24

53

Influence of resonant US on H-NMR at application of magnetic nanoparticles

Russian (Jul 1974). USSR Buslaev, Yu.A. Petrosyants, SP Tarasov,

54

Evaluation of the total oil and oleic acid contents in peanut seeds by low field NMR

2010 [1 p.] Germany Repp, Felix El-Miladi, Nouri Hoehl, Christian Jahanbakhsh,

2010-03-21

55

Spin injection in quantum wells with spatially dependent rashba interaction

... PHYSICAL AND ANALYTICAL CHEMISTRY calibration standards diagrams

2010-08-04

56

We consider Rashba spin-orbit effects on spin transport driven by an electric field in semiconductor quantum wells. We derive spin diffusion equations that are valid when the mean free path and the Rashba spin-orbit interaction vary on length scales larger than the mean free path in the weak spin-orbit coupling limit. From these general diffusion equations, we derive boundary conditions between regions of different spin-orbit couplings. We show that spin injection is feasible when the electric field is perpendicular to the boundary between two regions. When the electric field is parallel to the boundary, spin injection only occurs when the mean free path changes within the boundary, in agreement with the recent work by Tserkovnyak et al (Preprint cond-mat/0610190)

2007-09-15

57

Do Spinors Frame-Drag?

Isotope labeling strategies for NMR studies of RNA

We investigate the effect of the intrinsic spin of a fundamental spinor field on the surrounding spacetime geometry. We show that despite the lack of a rotating stress-energy source (and despite claims to the contrary) the intrinsic spin of a spin-half fermion gives rise to a frame-dragging effect analogous to that of orbital angular momentum, even in Einstein-Hilbert gravity where torsion is constrained to be zero. This resolves a paradox regarding the counter-force needed to restore Newton's third law in the well known spin-orbit interaction. In addition, the frame-dragging effect gives rise to a {\\it long-range} gravitationally mediated spin-spin dipole interaction coupling the {\\it internal} spins of two sources. We argue that despite the weakness of the interaction, the spin-spin interaction will dominate over the ordinary inverse ...

2009-01-01

58

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples

The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range {sup 1}H-{sup 1}H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have been employed for signal assignment and structure ...

2010-01-15

59

British Library Electronic Table of Contents (United Kingdom)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and...

2007-01-01

60

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, ...

2007-03-03

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

61

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, ...

2007-05-15

62

A microscale protein NMR sample screening pipeline

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, ...

2007-05-01

63

Fermion-boson symmetry through superluminal transformations

As part of efforts to develop improved methods for NMR protein sample preparation and structure determination, the Northeast Structural Genomics Consortium (NESG) has implemented an NMR screening pipeline for protein target selection, construct optimization, and buffer optimization, incorporating efficient microscale NMR screening of proteins using a micro-cryoprobe. The process is feasible because the newest generation probe requires only small amounts of protein, typically 30-200 ?g in 8-35 ?l volume. Extensive automation has been made possible by the combination of database tools, mechanization of key process steps, and the use of a micro-cryoprobe that gives excellent data while requiring little optimization and manual setup. In this perspective, we describe the overall process used by the NESG for screening NMR samples as part of a sample optimization process, assessing optimal construct design and ...

2010-01-01

64

Double decoupling and pseudo-spin alignment

We consider the Pauli theorem on the spin-statistics connection for faster-than-light particles. As the consequence of the unlocalizability of tachyons in space we conclude that their spin-statistics correlations are inverted.

1985-08-01

65

Double decoupling and pseudo-spin alignment

Doubly decoupled structures in doubly odd deformed nuclei are reexamined and shown to be composed of a pseudo-spin aligned neutron and a decoupled proton. (orig.).

1992-04-16

66

Top pair production in e+e- and {gamma}{gamma} processes

Doubly decoupled structures in doubly odd deformed nuclei are reexamined and shown to be composed of a pseudo-spin aligned neutron and a decoupled proton. (orig.).

67

Influence of neutron-core excitations on high-spin states in {sup 88}Sr

We analyze spin correlations between top quark and anti-top quark produced at polarized e{sup +} e{sup -} and {gamma}{gamma} colliders. We consider a generic spin basis to find a strong spin correlation. Optimal spin decompositions for top quark pair are presented for e{sup +}e{sup -} and {gamma}{gamma} colliders. We show the cross- section in these bases and discuss the characteristics of results.

1998-02-01

68

Free radicals in lysozyme reacted with peroxidizing methyl linoleate

No abstract prepared.

2001-04-01

69

Effects of Polymerization and Spinning Conditions on Mechanical Properties of PAN Precursor Fibers

... electron spin resonance gamma radiation lipids lyophilization lysozyme radicals

70

The fluorescence properties and NMR analysis of protopine and allocryptopine

Full Text Available

2010-09-01

71

NMR use in structural determination of natural products from Brazilian northeast plants; Uso de RMN na determinacao estrutural de produtos naturais de plantas nordestinas

The fluorescence properties of protopine and allocryptopine in aqueous and organic environments are described for the first time. The fluorescence of alkaloids and their pH-dependent interconversion to cationic forms (transannular interaction) were studied using steady-state and time-resolved fluorescence techniques. For the analysis of tricyclic base and cis/trans tetracyclic cations of the alkaloids, NMR and X-ray crystallography were used. - Highlights: ? We describe fundamental fluorescence characteristics of alkaloids protopine and allocryptopine. ? We analyzed the pH-dependent transitions and cis/trans isomerization. ? These two alkaloids can be better distinguished by their fluorescence decay characteristics. ? The fluorescence parameters are related to the NMR and crystallographic structural data.

2011-07-01

72

Spin-dependent potentials in the linearized collective Schroedinger equation for nuclear quadrupole vibrations

This work has carried out a molecular structure characterization of two Brazilian plants, Harpalyce brasiliana Benth and Bredemeyera floribunda Wild, using {sup 1} H and {sup 13} C NMR spectroscopy. NMR spectra were presented and analysed, then several structures have been proposed based on spectral data, and finally the structural determination was done 3 refs., 4 figs., 1 tab.

1995-12-31

73

Spin-dependent potentials in the linearized collective Schroedinger equation for nuclear quadrupole vibrations

The linearized collective Schroedinger equation for nuclear quadrupole surface vibrations incorporates a new spin degree of freeedom with a spin value of 3/2. We use this equation to describe the low energy spectrum of certain even-odd Ir nuclei which have a spin 3/2 in their ground state. For that purpose we explicitly introduce collective spin-dependent potentials which simulate the interaction of the valence nucleon with the core. The linearized Schroedinger equation is transformed into an effective Schroedinger equation with collective spin-dependent potentials. Already collective spin-orbit couplings of SO(3) and SO(5) type are sufficient to reproduce the lowest excited states of even-odd Ir nuclei. (orig.).

1990-06-01

74

Junction conditions in General Relativity with spin sources

The linearized collective Schroedinger equation for nuclear quadrupole surface vibrations incorporates a new spin degree of freeedom with a spin value of 3/2. We use this equation to describe the low energy spectrum of certain even-odd Ir nuclei which have a spin 3/2 in their ground state. For that purpose we explicitly introduce collective spin-dependent potentials which simulate the interaction of the valence nucleon with the core. The linearized Schroedinger equation is transformed into an effective Schroedinger equation with collective spin-dependent potentials. Already collective spin-orbit couplings of SO(3) and SO(5) type are sufficient to reproduce the lowest excited states of even-odd Ir nuclei. (orig.).

75

A new higher-spin algebra and the lone-star product

The junction conditions for General Relativity in the presence of domain walls with intrinsic spin are derived in three and higher dimensions. A stress tensor and a spin current can be defined just by requiring the existence of a well defined volume element instead of an induced metric, so as to allow for generic torsion sources. In general, when the torsion is localized on the domain wall, it is necessary to relax the continuity of the tangential components of the vielbein. In fact it is found that the spin current is proportional to the jump in the vielbein and the stress-energy tensor is proportional to the jump in the spin connection. The consistency of the junction conditions implies a constraint between the direction of flow of energy and the orientation of the spin. As an application, we derive the circularly symmetric solutions for both the rotating string with tension and ...

2006-01-01

76

Use of {sup 13} C in solid state NMR for characterization of commercial thermoplastic polyurethanes; Caracterizacao de poliuretanos termoplasticos comerciais por RMN de carbono-13 no estado solido

In two recent papers, we constructed a new N#->##infinity# limit of the W_N algebras, which we denote W_#infinity# having generators of conformal spins 2, 3, ..., with central terms for all spins. In this paper, we construct another new algebra, which we denote W_1_+_#infinity#, with generators of conformal spins, 1, 2, 3, ..., again with central terms for all spins. The requirement that the algebras be closed requires that one include the spin-1 generators in W_1_+_#infinity#, and prohibits their inclusion in W_#infinity#. Paralleling our analogous construction for W_#infinity#, we show that the new algebra can also be realised as the antisymmetric part of an associative 'lone-star' product, which also closes on the set of generators with conformal spins #>=#1. (orig.).

1990-06-01

77

Use of "1"3 C in solid state NMR for characterization of commercial thermoplastic polyurethanes

No abstract prepared.

2000-07-01

78

The Product Operator Formalism: A Physical and Graphical Interpretation

Portuguese 2000 p. 117-118 Brazil Monteiro, Elisabeth EC Tavares,

2000-08-02

79

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

The product-operator formalism is the most commonly used tool for describing and designing multidimensional NMR experiments. In spite of its relative simplicity and sound theoretical underpinnings,...Full Text Available

2010-03-01

80

NMR characterization of composition and fiber size parameters of the sugarcane Eva/bagasse composites

The recent melamine crisis in China has pointed out a serious deficiency...Full Text Available

2009-08-26

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

81

Effects of polyvinylpyrrolidinone addition on thermoplastic polymers by using solid state "1"3 C NMR

... Commission, Rio de Janeiro Rio de Janeiro, RJ (Brazil) 26-27 Nov 1998 1

1998-11-26

82

Copper deficiency alters the neurochemical profile of developing rat brain

Portuguese 1998 p. 47 Brazil Silva, Edemilson P. Universidade Federal,

1998-08-13

83

Biological effects and physical safety aspects of NMR imaging and in vivo spectroscopy

Copper deficiency is associated with impaired brain development and mitochondrial dysfunction. Perinatal copper deficiency was produced in Holtzman rats. In vivo proton NMR...Full Text Available

2009-06-01

84

Analysis of 'espinheira-santa' (Maytenus aquifolium) infusion by RP_3_0-HPLC-NMR

An assessment is made of the biological effects and physical hazards of static and time-varying fields associated with the NMR devices that are being used for clinical imaging and in vivo spectroscopy. A summary is given of the current state of knowledge concerning the mechanisms of interaction and the bioeffects of these fields. Additional topics that are discussed include: (1) physical effects on pacemakers and metallic implants such as aneurysm clips, (2) human health studies related to the effects of exposure to nonionizing electromagnetic radiation, and (3) extant guidelines for limiting exposure of patients and medical personnel to the fields produced by NMR devices. On the basis of information available at the present time, it is concluded that the fields associated with the current generation of NMR devices do not pose a significant health risk in themselves. However, rigorous guidelines must be followed to avoid ...

1985-08-01

85

"1H-NMR analysis of reaction mixture of lauric acid with monoethanolamine utilizing in situ reaction with trichloroacetyl isocyanate

Portuguese 1999 1 p. Brazil Vilegas, Wagner UNESP, Araraquara, SP

1999-05-25

86

On the validity of the pseudo-spin concept for axially symmetric deformed nuclei

Page 1. ANALYSIS OF REACTION MIXTURE OF LAURIC ACID WITH MONO-

1984-06-18

87

Quantitative ³¹P NMR Spectroscopy and ¹H MRI Measurements of Bone Mineral and Matrix Density Differentiate Metabolic Bone Diseases in Rat Models

The average single-particle field shows a very small pseudo-spin-orbit splitting in the pseudo-spin representation. If this splitting is neglected, pseudo-spin becomes a good quantum number and the resulting scheme (the pseudo-Nilsson model) has a very simple interpretation. The pseudo-spin symmetry embodied in the realistic deformed average field is explored by comparing the single-particle energies and wave functions of the deformed Woods-Saxon model with the corresponding results of the pseudo-Nilsson model. The scheme is used to calculate the magnetic moments of deformed odd-A nuclei of the rare-earth region. (orig.).

88

NMR study of aluminium chloride and lithium tetrachloroaluminate solutions in a mixed solvent of thionylchloride-methylacetate

In this study, bone mineral density (BMD) of normal (CON), ovariectomized (OVX) and partially nephrectomized (NFR) rats was measured by ³¹P NMR spectroscopy; bone matrix density was...Full Text Available

2010-06-01

89

Metabolomics in Lung Inflammation: A High Resolution ¹H NMR Study of Mice Exposed to Silica Dust

Lithium tetrachloroaluminate solutions in thionylchloride, methylacetate and their mixtures are studied by "7Li and "2"7Al NMR. It is found that introduction of methylacetate in the LiAlCl_4-SOCl_2 system results in a change of lithium tetrachloroaluminate formation constant. In the ternary system, Li"+ is solvated by methyl-acetate after complete destruction of tetrachloroaluminate anion. Refs. 9, figs. 2.

90

Interactions of myristic acid with bovine serum albumin: a 13C NMR study.

Here we report the first ¹H NMR metabolomics studies on excised lungs and bronchoalveolar lavage fluid (BALF) from mice exposed to crystalline silica. High resolution ¹H...Full Text Available

2008-01-01

91

31P NMR study of improvement in oxidative phosphorylation by vitamins K3 and C in a patient with a defect in electron transport at complex III in skeletal muscle.

Interactions of myristic acid with bovine serum albumin were studied by 13C NMR spectroscopy at 50.3 MHz using 90% isotopically substituted [1-13C]-, [3-13C]-, and [14-13C]myristic acids, either individually...Full Text Available

1984-06-01

92

³¹P NMR Observations on the Effect of the External pH on the Intracellular pH Values in Plant Cell Suspension Cultures ¹

The bioenergetic capacity of skeletal muscle in a 17-year-old patient with a severe defect in complex III of the electron transport chain has been examined by 31P NMR measurements of the molar ratio...Full Text Available

1984-06-01

93

Spin dynamics in Ho{sub 2}Ru{sub 2}O{sub 7}

³¹P nuclear magnetic resonance (NMR) spectroscopy was used to monitor the response of oil palm (Elaeis guineensis) and carrot (Daucus carota) cell suspensions...Full Text Available

1990-06-01

94

Spin dynamics in Ho_2Ru_2O_7

The spin relaxation processes within the pyrochlore Ho{sub 2}Ru{sub 2}O{sub 7} have been investigated by neutron scattering and bulk property techniques. A single-ion process, that is thermally activated, dominates the spin-spin relaxation spectrum above 2 K. Assuming Arrhenius behaviour, we found an activation energy {delta} = (329 {+-} 6) K and characteristic relaxation time {tau}{sub 0} (5.2 {+-} 0.3) x 10{sup -12} s in the paramagnetic state, akin to those found in the spin ice, Ho{sub 2}Ti{sub 2}O{sub 7}. Atlow temperature (T<95 K) the activation energy lowers and below 20 K the entropy and ac susceptibility are similar to that observed in other spin ice compounds within a 10 kOe field.

2005-11-09

95

Kinetic studies of preactivated derivatives of cyclophosphamide by "3"1P NMR spectroscopy

The spin relaxation processes within the pyrochlore Ho_2Ru_2O_7 have been investigated by neutron scattering and bulk property techniques. A single-ion process, that is thermally activated, dominates the spin-spin relaxation spectrum above 2 K. Assuming Arrhenius behaviour, we found an activation energy #DELTA# = (329 #+-# 6) K and characteristic relaxation time #tau#_0 (5.2 #+-# 0.3) x 10"-"1"2 s in the paramagnetic state, akin to those found in the spin ice, Ho_2Ti_2O_7. Atlow temperature (T<95 K) the activation energy lowers and below 20 K the entropy and ac susceptibility are similar to that observed in other spin ice compounds within a 10 kOe field.

2005-11-09

96

Water Molecule Contributions to Proton Spin-Lattice Relaxation in Rotationally Immobilized Proteins

Selected derivatives of cyclophosphamide (CP) metabolites were synthesized and the solution chemistry of each was studied by "3"1P nuclear magnetic resonance (NMR) spectroscopy under a standard set of reaction conditions at physiological pH (7.4) and temperature (37"0C). Complementary "2H and "1"3C NMR spectral data was obtained using isotopically ("2G and "1"3C) enriched CP metabolites. The CP derivatives were synthesized by the ozonolysis of substituted 3-butenyl phosphorodiamidates, and were isolated as analogues of either cis and trans 4-hydroperoxy-CP or aldophosphamide (AP). The relative ratios of the tautomeric species, 4-hydroxy-CP and AP, and their half-lives (T/sub 1/2/) were measured by "3"1P NMR spectroscopy. The influence of CP metabolites on perfused U-937 cells, a CP-sensitive human lymphoma, was observed by high resolution "3"1P NMR spectroscopy. In this manner, it was possible to ...

97

Linearized Schroedinger equation for nuclear quadrupole surface vibrations

Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of ¹H Larmor frequency from 10 kHz to 30...Full Text Available

2009-07-01

98

Linearized Schroedinger equation for nuclear quadrupole surface vibrations

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd {sup 187,189,191}Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the {gamma}-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly ...

1990-07-01

99

Electron spin resonance studies of radiation effects in biological materials. An assessment of current and future research

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd "1"8"7","1"8"9","1"9"1Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the #gamma#-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly ...

100

Electron Spin Resonance Studies of Ionic Permeability Properties of Thylakoid Membranes of Beta vulgaris and Avicennia germinans1

Electron spin resonance spectroscopy can provide a powerful approach to the study of radiation effects in biological materials. This memorandum gives an overview of current and future research. (author).

1987-06-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

101

Cross sections and spin asymmetries in vector meson leptoproduction

Measurement of intrathylakoid aqueous volumes by electron spin resonance spectroscopy was used to study ionic permeability properties of thylakoid membranes isolated from Beta vulgaris...Full Text Available

1985-05-01

102

Using PCAR to study Cu/Co bilayers

Light vector meson leptoproduction is analyzed on the basis of the generalized parton distributions. Our results on the cross section and spin effects are in good agrement with experiment at HERA, COMPASS and HERMES energies. Predictions for $A_{UT}$ asymmetry for various reactions are presented.

2009-01-01

103

Thermonuclear reactivity of D-T fusion plasma with spin-polarized fuel

For spintronic applications it is important to establish how efficiently spins can be injected from a magnetic material into a non-magnetic material and the distance over which those spins survive. It is thought that spin polarised transport current can be determined by using the suppression of the Andreev reflection between a superconductor and the spin polarised material (Science 282 (1998) 85). Cu/Co bilayers are potentially an ideal test system for such study. In this paper we assess the feasibility of using point contact Andreev reflection spectroscopy to address this problem using a superconducting niobium tip at 4.2 K.

2004-05-01

104

Spin-orbit splittings in the relativistic mean-field theory

The thermonuclear reactivity of deuterium(D) - tritium(T) fusion plasma with spin-polarized fuel has been studied. Two mechanisms of depolarization, collisions and waves, in the high temperature fusion plasma have been considered. The binary collisions have been found not to change the nuclear spin states. The waves with a frequency of a few GHz, however, changes the spin states appreciably, when {delta}B/B{sub 0} (the ratio of the amplitude of the fluctuating magnetic field to the external field) becomes larger than 10{sup -5}. (author)

1999-04-01

105

Spin-density-wave transition and {mu}SR in the heavy-fermion Ce(Ru, T){sub 2}Si{sub 2}, T = Rh, Pd

We have investigated the effect of the rho tensor coupling on binding energies, matter root-mean-square radii and spin orbit splittings of Ca isotopes in the relativistic mean-field theory with sigma, omega, and rho mesons. It is shown that binding energies and matter root-mean-square radii are insensitive to an alteration in the strength of the rho tensor coupling and an explanation of this is given. We have further shown that inclusion of the rho tensor coupling will give isospin-dependent spin-orbit splittings and this will greatly affect spin-orbit splittings of nuclei near the neutron drip line. (author). Letter-to-the-editor.

1995-11-01

106

Quantum Impurities in the Two-Dimensional Spin One-Half Heisenberg Antiferromagnet

No abstract prepared.

1999-02-28

107

Quantum Computing with an Electron Spin Ensemble

The study of randomness in low-dimensional quantum antiferromagnets is at the forefront of research in the field of strongly correlated electron systems, yet there have been relatively few experimental model systems. Complementary neutron scattering and numerical experiments demonstrate that the spin-diluted Heisenberg antiferromagnet La2Cu(1-z)(Zn,Mg)zO4 is an excellent model material for square-lattice site percolation in the extreme quantum limit of spin one-half. Measurements of the ordered moment and spin correlations provide important quantitative information for tests of theories for this complex quantum-impurity problem.

2002-01-01

108

DEFF Research Database (Denmark)

We propose to encode a register of quantum bits in different collective electron spin wave excitations in a solid medium. Coupling to spins is enabled by locating them in the vicinity of a superconducting transmission line cavity, and making use of their strong collective coupling to the quantized radiation field. The transformation between different spin waves is achieved by applying gradient magnetic fields across the sample, while a Cooper pair box, resonant with the cavity field, may be used to carry out one- and two-qubit gate operations.

2009-01-01

109

Polarizing a stored proton beam by spin flip?

High-efficiency resonant rf spin rotator with broad phase space acceptance for pulsed polarized cold neutron beams

We discuss polarizing a proton beam in a storage ring, either by selective removal or by spin flip of the stored ions. Prompted by recent, conflicting calculations, we have carried out a measurement of the spin-flip cross section in low-energy electron-proton scattering. The experiment uses the cooling electron beam at COSY as an electron target. The measured cross sections are too small for making spin flip a viable tool in polarizing a stored beam. This invalidates a recent proposal to use co-moving polarized positrons to polarize a stored antiproton beam.

2009-04-27

110

Flip-flop sequence for restoring Zeeman order in the laboratory reference frame

No abstract prepared.

2008-01-01

111

Entanglement of systems of dipolar coupled nuclear spins at the adiabatic demagnetization

... spin-lattice relaxation angular momentum electronic circuits magnetic

112

Electron Spin Resonance Study of Manganese Ion Species Incorporated into Novel Aluminosilicate Nanospheres with Solid Core/Mesoporous Shell Structure

We consider the adiabatic demagnetization in the rotating reference frame (ADRF) of a system of dipolar coupled nuclear spins $s=1/2$ in the external magnetic field. The demagnetization starts with the offset of the external magnetic field (in frequency units) from the Larmor frequency being several times greater than the local dipolar field. For different subsystem sizes, we have found from numerical simulations the temperatures at which subsystems of a one-dimensional nine-spin chain and a plane nine-spin cluster become entangled. These temperatures are of the order of microkelvins and are almost independent of the subsystem size. There is a weak dependence of the temperature on the space dimension of the system.

2008-01-01

113

Transverse and longitudinal excitation modes in interacting multispin systems

Full Text Available

2010-12-01

114

Spinning tachyons as particle constituents

Magnetic excitation in coupled multispin system is studied theoretically focusing on Cu_2Fe_2Ge_4O_1_3 and Cu_2CdB_2O_6 as typical examples of such system. These compounds consist of spin dimer and spin monomer parts and show an antiferromagnetic phase transition at low temperatures due to the spin monomer part. A multispin containing a spin dimer and spin monomers is treated as a basis unit. The multispin forms a spin multiplet and its energy levels are separated into high and low regions reflecting the characteristic energies of the dimer and monomer parts. We regard the system as interacting multispins and apply an extended Holstein-Primakoff theory by introducing bosons for each energy level of a spin multiplet. In the low-energy region, the obtained magnon dispersion and dynamical spin correlation function agree ...

2010-08-01

115

Spin-up of He II in a cylindrical vessel of finite height

The motions of a classical free spinning point particle are extended to include the range of superluminal velocities. There is no formal change in the constraint-dependent functional relationship between observable mass and spin, i.e., trajectory, accompanying this extension. However, the theory now permits the specification, for superluminal velocities, of a linearly rising trajectory and naturally yields tachyon confinement. Therefore, unlike their subluminal counterparts, these tachyons can be considered candidates for elementary particle constituents.

116

Spin-1/2 equations with tachyons and complex energies in small external fields

The spin-up problem of He II in a cylindrical container of infinite and finite height is considered on the basis of the Hall-Vinen-Bekarevich-Khalatnikov equations. The boundary conditions include the assumption of the generation of superfluid vorticity at the walls of the container. In the lowest order approximation with respect to viscosity, the problem is reduced to a Stefan problem for a single diffusion-type equation. Examples of solutions are given which show that the method used gives a good insight into the physical development of the spin-up flow.

1990-01-01

117

Second quantization of fields associated with spin-1 tachyons

One normally identifies the prediction of tachyons with a higher spin problem. We show that the same phenomenon also happens with certain spin-1/2 equations, in exactly the same circumstances. Furthermore, we prove that these equations also have the defect of possessing solutions with complex energies, even with the smallest external fields. The consequences of these results are analyzed.

118

Second quantization of fields associated with spin-1 tachyons

Lorentz invariant theory of second quantization of superluminal electromagnetic fields has been constructed in purely group theoretical manner by using the reduced expansion of four-vector fields for imaginary mass system in terms of standard helicity representations of Poincare group. It has been shown that the usual relationship of spin and statistics need not be inverted for Lorentz invariance of the theory of spin-1 tachyons. 15 refs.

1982-01-01

119

(Research in theoretical physics): Annual performance report, (1986)

Lorentz invariant theory of second quantization of superluminal electromagnetic fields has been constructed in purely group theoretical manner by using the reduced expansion of four-vector fields for imaginary mass system in terms of standard helicity representations of Poincare group. It has been shown that the usual relationship of spin and statistics need not be inverted for Lorentz invariance of the theory of spin-1 tachyons. (author).

120

Use of lanthanide shift reagents together with silver trifluoroacetate for quantitative analysis of mixtures of aromatic hydrocarbons

Results are reported in the areas of: chiral fermions and anomalies, superstring finiteness, superstring phenomenology, spin splittings in heavy quarkonia, low-energy limits of superstring, a supersymmetric electroweak model with a light squark, scalar quark bound states, fermionic tachyons and Poincare representations, relativistic dynamics of spin-one particles and deuteron-nucleus scattering, interactions involving higher spin massless particles, and classical action at a distance theories which contain a cutoff. (LEW)

1986-01-01

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121

Uniform and Residue-specific {sup 15}N-labeling of Proteins on a Highly Deuterated Background

The shifts induced by equimolar mixture of typical lanthanide shift reagent such as 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octadionato europium with silver trifluoroacetate in /sup 1/H NMR spectra of aromatic hydrocarbons have been used for analytical purposes; the NMR determination of m- and p-xylenes in mixtures has been chosen as an example. The use has been made of the difference between induced shifts of methyl group signals in the /sup 1/H NMR spectra of m- and p-xylenes. The magnitude of induced shifts of methyl groups signal in m-xylene is always larger than that of p-isomer, irrespective of contents of m- and p-xylenes in mixture.

1980-01-01

122

Silica Polyamine Composites: New Supramolecular Materials for Cation and Anion Recovery and Remediation

A general method for stable-isotope labeling of large proteins is introduced and applied for studies of the E. coli GroE chaperone proteins by solution NMR. In addition to enabling the residue-specific {sup 15}N-labeling of proteins on a highly deuterated background, it is also an efficient approach for uniform labeling. The method meets the requirements of high-level deuteration, minimal cross-labeling and high protein yield, which are crucial for NMR studies of structures with sizes above 150 kDa. The results obtained with the new protocol are compared to other strategies for protein labeling, and evaluated with regard to the influence of external factors on the resulting isotope labeling patterns. Applications with the GroE system show that these strategies are efficient tools for studies of structure, dynamics and intermolecular interactions in large supramolecular complexes, when combined with TROSY- and CRINEPT-based experimental ...

2004-07-15

123

British Library Electronic Table of Contents (United Kingdom)

Summary: The surface coverage of amorphous silica gels used in the synthesis of silica polyamine composites has been investigated by 29Si NMR. By diluting the polyamine anchor silane, chloropropyl trichlorosilane, with methyl trichlorosilane it was found that surface coverage could be markedly improved for a range of amine polymers after grafting to the silica surface. The commensurate decrease in the number of anchor points and increase in the number of free amines results in an increase in metal capacity and/or an improvement in capture kinetics. Solid state CPMAS-13C NMR has been employed to investigate the structure and metal ion binding of a series of these composite materials. It is reported that the highly branched polymer, poly(ethyleneimine) (PEI) exhibits much broader 13C NMR res...

2006-01-01

124

Magnetic resonanse imaging in otorhinolaryngology. With special reference to the influence of factors upon NMR parameters and differential diagnosis of otorhinolaryngic lesions

Spin-polarized Auger-electron diffraction study of the magnetic poisoning of Fe(001) by sulfur

MRI diagnosis for malignant tumors are made possible by direct comparison to the results obtained by the brain and it seems possible to differentiate malignant tumors from other benign lesions. Cystic lesions, and mycotic sinusitis sometimes resemble malignant tumors in MR Image. In the present report, we investigated the relationships between the biochemical contents of cystic lesions and NMR-parameters to clarify why some inflammatory lesions appeared similar to malignant tumors in MRI. The variation of relaxation time depends upon the amount of protein in the cystic contents and the amount of glucose affects the relaxation time. We conclude that NMR-parameters are useful for the differential diagnosis of malignant tumors, cystic lesions and mycositic sinusitis by using the multiple variation analysis.

1987-07-01

125

Magnetization of undoped 2-leg S=1/2 spin ladders in La{sub 4}Sr{sub 10}Cu{sub 24}O{sub 41}

Spin-polarized angle-resolved sulfur L_2_,_3VV Auger-electron spectra have been recorded for the c(2x2)S/Fe(001) system. The data show the modulation of the sulfur Auger spin polarization as a function of emission angle, which represents an observation of spin-polarized Auger-electron diffraction (SPAED), a potentially powerful tool for the study of local magnetic structure at surfaces, interfaces, and thin films. Theoretical modeling of the SPAED data indicates a large decrease in the magnetization of the top iron layer, suggesting a magnetic poisoning induced by the sulfur overlayer. These findings are independently supported by the observation of a large decrease of secondary electron spin polarization upon sulfur adsorption.

126

A New Spin Foam Model for 4d Gravity

Magnetization data of single crystalline La{sub 4}Sr{sub 10}Cu{sub 24}O{sub 41} are presented. In this compound, doped spin chains and undoped spin ladders are realized. The magnetization, at low temperatures, is governed by the chain subsystem with a finite interchain coupling which leads to short range antiferromagnetic spin correlations. At higher temperatures, the response of the chains can be estimated in terms of a Curie-Weiss law. For the ladders, we apply the low temperature approximation for a S = 1/2 2-leg spin ladder.

2007-09-01

127

Measurements of single and double spin asymmetry in pp elastic scattering in the CNI region with a polarized atomic hydrogen gas jet target

Starting from the Plebanski formulation of gravity as a constrained BF theory we propose a new spin foam model for 4d Riemmanian quantum gravity that generalises the well-known model of Barrett-Crane and resolves the ultralocality problem that this model is known to possess. It is well known that the BF formulation of 4d gravity possesses two sectors: one corresponding to gravity and the other topological. The model presented here is shown to give a quantisation of the gravitational sector. The present model is dual to the recently proposed spin foam model of Engle et al. which, we show, corresponds to the topological sector of the theory. One important outcome of our approach is that it also allow us to introduce the Immirzi parameter into the framework of spin foam quantisation. We generalize some of our considerations to the Lorentzian setting and obtain a new spin foam model in that context as well.

2007-01-01

128

A singlet - triplet T_+ based qubit

Precise measurements of the single spin asymmetry AN, and the double spin asymmetry ANN, in proton-proton (pp) elastic scattering in the region of four-momentum transfer squared 0.0012 have been performed using a polarized atomic hydrogen gas jet target and the Relativistic Heavy Ion Collider (RHIC) polarized proton beam. We present measurements of AN and ANN at center-of-mass energies ?(s)=6.8 and 13.7 GeV. These spin-dependent observables are sensitive to the poorly known hadronic spin-dependent amplitudes. Comparing AN at different energies, a ?(s) dependence of the hadronic single spin-flip amplitude is suggested. A hadronic double spin-flip amplitude from the ANN data is consistent with zero within a 2-? level. We also present ??T, estimated from the measured ANN data. The results for ??T are consistent with zero. Our results provide significant constraints ...

2009-05-01

129

Structure of human insulin monomer in water/acetonitrile solution

We theoretically model a nuclear-state preparation scheme that increases the coherence time of a two-spin qubit in a double quantum dot. The two-electron system is tuned repeatedly across a singlet-triplet level-anticrossing with alternating slow and rapid sweeps of an external bias voltage. Using a Landau-Zener-Stueckelberg model, we find that in addition to a small nuclear polarization that weakly affects the electron spin coherence, the slow sweeps are only partially adiabatic and lead to a weak nuclear spin measurement and a nuclear-state narrowing which prolongs the electron spin coherence. This resolves some open problems brought up by a recent experiment. We also show that the electronic two-spin states singlet and triplet T_+ are promising candidates for the implementation of a qubit in GaAs double quantum dots (DQD). A coherent superposition of the ...

2010-03-21

130

Strategies for the uses of lanthanide NMR shift probes in the determination of protein structure in solutio. Application to the EF calcium binding site of carp parvalbumin.

Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Starting from structures calculated by the ...

2008-01-15

131

Solid-state ¹³C NMR spectroscopy of a ¹³C carbonyl-labeled polypeptide

The homologous sequences observed for many calcium binding proteins such as parvalbumin, troponin C, the myosin light chains, and calmodulin has lead to the hypothesis that these proteins have homologous...Full Text Available

1980-10-01

132

Non-contiguous regions of Z-DNA in a DNA dodecamer.

High resolution structural elucidation of macromolecular structure by solid-state nuclear magnetic resonance requires the preparation of uniformly aligned samples that are isotopically labeled. In...Full Text Available

1992-06-01

133

Multivariate analysis of {sup 1}H NMR spectral data of Brazilian wines from the Sao Francisco region (Pernambuco); Analise multivariada dos dados espectrais de RMN de {sup 1}H dos vinhos elaborados no submedio Sao Francisco

The conformation of the self-complimentary DNA dodecamer d(br5CGbr5CGAATTbr5CGbr5CG) has been investigated in a variety of salt and solvent conditions by one and two-dimensional 1H NMR. In low salt...Full Text Available

1989-10-11

134

Long-lived states to sustain hyperpolarized magnetization

No abstract prepared.

2008-07-01

135

Insertion of a Bulky Rhodium Complex into a DNA Cytosine-Cytosine Mismatch: An NMR Solution Study

Major breakthroughs have recently been reported that can help overcome two inherent drawbacks of NMR: the lack of sensitivity and the limited memory of longitudinal magnetization. Dynamic nuclear polarization...Full Text Available

2009-11-03

136

Hydroxylation of 3-Nitrotyrosine and Its Derivatives by Gamma Irradiation

The bulky octahedral complex, Rh(bpy)₂chrysi³⁺ (chrysi = 5, 6- chrysenequinone diimine), binds single base mismatches in a DNA duplex with micromolar binding affinities...Full Text Available

2007-10-10

137

HCN polymers characterized by solid state NMR: Chains and sheets formed in the neat liquid

... the hydroxyl group with the benzene ring. The molar extinction coefficients for the various species at their respective absorption ... Glya Recorded by 1H-NMR Spectroscopy TABLE 2 Molar Extinction Coeff...

138

Ensemble quantum computing by NMR?spectroscopy

Hydrogen cyanide polymerizes readily under a variety of conditions and significant prebiotic roles have been suggested for these polymers due to the abundance of HCN in universe. However, the structures...Full Text Available

2009-04-07

139

Dynamic NMR effects in breast cancer dynamic-contrast-enhanced MRI

A quantum computer (QC) can operate in parallel on all its possible inputs at once, but the amount of information that can be extracted from the result is limited by the phenomenon of wave function...Full Text Available

1997-03-04

140

Different distribution of fluorinated anesthetics and nonanesthetics in model membrane: a 19F NMR study.

The passage of a vascular-injected paramagnetic contrast reagent (CR) bolus through a region-of-interest affects tissue ¹H₂O relaxation and thus MR image intensity. For longitudinal...Full Text Available

2008-11-18

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141

Antioxidant activity and {sup 1}H and {sup 13}C NMR data of isocatalpanol and a derivative of tecomaquinone of Lippia sidoides; Atividade antioxidante e dados RMN {sup 1}H e {sup 13}C do isocatalpanol e um derivado da tecomaquinona de Lippia sidoides

Despite their structural resemblance, a pair of cyclic halogenated compounds, 1-chloro-1,2,2-trifluorocyclobutane (F3) and 1,2-dichlorohexafluorocyclobutane (F6), exhibit completely different anesthetic...Full Text Available

1997-04-01

142

¹³C-NMR Assessment of the Pattern of Organic Matter Transformation during Domestic Wastewater Treatment by Autothermal Aerobic Digestion (ATAD)

No abstract prepared.

2005-07-01

143

¹H-NMR-Based Metabolomic Profiling of CSF in Early Amyotrophic Lateral Sclerosis

The pattern of biodegradation and the chemical changes occurring in the macromolecular fraction of domestic sludge during autothermal thermophilic aerobic digestion (ATAD) was monitored and characterised...Full Text Available

2009-08-01

144

[Experimental and kinetic modeling of acid/base and redox reactions over oxide catalysts

BackgroundPathophysiological mechanisms involved in amyotrophic lateral sclerosis (ALS) are complex and none has identified reliable markers useful in routine patient evaluation....Full Text Available

145

NMR study of one-dimensional ionic conductor with hollandite-type structure (IV) Rb-priderite

The research has involved the characterization of catalyst acidity, [sup 2]D NMR studies of Bronsted acid sites, and kinetic, calorimetric, and spectroscopic studies of methylamine synthesis and related reactions over acid catalysts. Approach of this work was to explore quantitative correlations between factors that control the generation, type, strength, and catalytic properties of acid sites on zeolite catalysts. Microcalorimetry, thermogravimetric analysis, IR spectroscopy, and NMR spectroscopy have provided information about the nature and strength of acid sites in zeolites. This was vital in understanding the catalytic cycles involved in methylamine synthesis and related reactions over zeolite catalysts.

1993-01-01

146

NMR analysis of the structure of synaptobrevin and of its interaction with syntaxin

Conduction properties of Rb"+ ion in Rb-Al-priderite and K"+ ion and Rb"+ ion in (K,Rb)-Al-priderite, were investigated by NMR using "2"7Al in the framework as a probe. Size effect was observed remarkably in the activation energies. Frequency dependence of T_1 in Rb-Al-priderite at a low temperature indicates that the relaxation behavior of "2"7Al in Rb-Al-priderite can be described by the continuum model. Barrier height distributions and 'attempt frequencies' in both samples obtained by a curve-fitting method are discussed in comparison with those of K-Al-priderite. (orig.).

1985-08-18

147

Contrast factors in nuclear magnetic resonance imaging

Synaptobrevin is a synaptic vesicle protein that has an essential role in exocytosis and forms the SNARE complex with syntaxin and SNAP-25. We have analyzed the structure of isolated synaptobrevin and its binary interaction with syntaxin using NMR spectroscopy. Our results demonstrate that isolated synaptobrevin is largely unfolded in solution. The entire SNARE motif of synaptobrevin is capable of interacting with the isolated C-terminal SNARE motif of syntaxin but only a few residues bind to the full-length cytoplasmic region of syntaxin. This result suggests an interaction between the N- and C-terminal regions of syntaxin that competes with core complex assembly.

1999-07-15

148

A preliminary design for a one GHz NMR spectrometer magnet

In Nuclear Magnetic Resonance (NMR) imaging, contrast is dependent on the emission of radiofrequency waves by atomic nuclei, balanced by several parameters. The high information content of NMR images is due to the multiplicity of its parameters. However, this advantage introduces a difficulty in the interpretation of the contrast. There are three contrast parameters for each tissue: hydrogen nuclei density; relaxation time T1; relaxation time T2. Contrast may be enhanced towards any of these parameters by increasing the emission of radiowaves by atomic nuclei using particular pulse sequences.

1985-01-01

149

Relativistic mean-field approach to nuclear surface properties and spin-orbit effects

The authors have performed a preliminary design for a persistent GHz NMR magnet at 23.5 T and 1.8 K operating conditions. In this paper the authors shall address the issues of realistic conductor selection, the coil design, the magnetic and mechanical analysis of the coil, and the required field uniformity. In addition, they shall describe the GHz magnet cryostat with a practical 1.8 K J-T refrigerator system. Finally vibration isolation system and field shield design and its associated field harmonics will be analyzed.

1993-09-20

150

On the temperature dependence of the magnetic excitations

We treat symmetric semi-infinite nuclear matter in the relativistic mean-field approximation for the scalar-vector field theoretical model. Using special-type Dirac spinors the nucleonic Dirac equation is decoupled into two sets of differential equations for the spin-orientation dependent orbital nucleon Dirac spinors. We also rewrite the Dirac equation in terms of second-order differential equations with the spin-orbit interaction appearing explicitly. These equations can be solved if the spin-orbit part is left out. The spin-orbit effects thus can be isolated, and are shown to reduce the surface energy coefficient a/sub s/ as well as the surface thickness t in such a way that their ratio remains practically unchanged. For realistic lagrangians - in linear as well as non-linear forms - consistent with the empirical spin-orbit single-partial level splittings, a/sub s/ is reduced by ...

1989-02-20

151

Control effects of the flow and the aerodynamic force around the downstream cylinder by a spinning upstream cylinder in uniform flow

We compare experimental data for temperature dependence of the magnetic order parameter and the magnetic excitations (spin waves) in materials with a quenched orbital moment and a well-defined spin quantum number. It is observed that the thermal decrease of the two quantities proceeds according to the same analytical function of the type y(T)=1-cT"#epsilon# with an identical exponent #epsilon#. This power function applies not only asymptotically for T->0 but holds over a wide temperature range. The exponent #epsilon# is universal, i.e. independent of spin order type and lattice symmetry and depends only on the dimensionality of the relevant interactions and on whether the spin quantum number is integer or half-integer. The different T"#epsilon# functions are identified as representations of stable universality classes. The fact that order parameter and magnetic excitations follow the same T"#epsilon# ...

2005-07-15

152

Triangle identity and free differential algebra of massless higher spins

The aerodynamic forces and wake structure of the non-rotating downstream circular cylinder, of which the uniform free stream flow is interfered with another spinning upstream cylinder having the same diameter that is located upstream in a line have been investigated experimentally. When the spin rate of the downstream cylinder defined as the ratio of tangential surface velocity of the spinning cylinder to the free stream velocity increases gradually from zero to 1.4, the change of surface pressure distribution, aerodynamic forces of the non-rotating downstream cylinder were measured in case of several distance ratios of 1.5, 3.0, and 4.5 defined as the ratio of distance between the centers of two cylinders to the diameter. The wake flow patterns behind the cylinder were also investigated in each case. From the present experiments, it has been found that the spin rate significantly influences the ...

1998-03-01

153

The identification of the 1/2"+[660] proton orbitals at high spins in rare-earth nuclei

In terms of Berezins's theory of symbols of operators, the integral formulation is suggested for the free differential algebra which gives rise to consistent equations of motion of interacting massless fields of all spins 0#<=#s<#infinity# in the frameworks of gravity. In the first nontrivial order of the expansion in powers of curvatures, Frobenius consistency conditions for higher-spin equations of motion are shown to reduce to the simple geometrical fast that there are two ways for splitting any quadrangle in two triangles. To clarify our construction, we illustrate how it works in the simplest case of pure gravity. (orig.).

1989-09-01

154

Spin-Lattice Relaxation in Metal-Organic Platinum; 3, Complexes

Decay sequences based on the 1/2"+[660] proton orbital have been identified in "1"7"1Ta and "1"7"7Re based on spin, parity, and large alignment. This decay sequence is observed higher in energy than predicted in cranking calculations based on modified oscillator potentials. Similarly known 1/2"-[541] decay sequences in these and other neighbouring isotopes are observed lower in energy than predicted. A reduction in the strength of the spin-orbit potential for protons is suggested as a solution to these problem. (orig.).

155

Spin operator matrix elements in the quantum Ising chain: fermion approach

The dynamics of spin-lattice relaxation (slr) of metal-organic Pt(II) compounds is studied. Often, such systems are characterized by pronounced zero-field splittings (zfs) of the lowest-lying triplets. Previous expressions for the Orbach slr process do not allow to treat such splitting patterns properly. We discuss the behavior of a modified Orbach expression for a model system and present results of a fit of the temperature dependence of the spin-lattice relaxation rate of Pt(2-thpy)$_2$ based on the modified expression.

1999-01-01

156

Separation of variables for the quantum SL(2,R) spin chain

Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite length. The derivation is based on the approach recently used to derive factorized formula for Z_N-spin operator matrix elements between ground eigenstates of the Hamiltonian of the Z_N-symmetric superintegrable chiral Potts quantum chain. The obtained factorized formulas for the matrix elements of Ising chain coincide with the corresponding expressions obtained by the Separation of Variables Method.

2010-01-01

157

Resonance spin-echo option on neutron reflectometers for the study of dynamics of surfaces and interfaces

We construct representation of the Separated Variables (SoV) for the quantum SL(2,R) Heisenberg closed spin chain and obtain the integral representation for the eigenfunctions of the model. We calculate explicitly the Sklyanin measure defining the scalar product in the SoV representation and demonstrate that the language of Feynman diagrams is extremely useful in establishing various properties of the model. The kernel of the unitary transformation to the SoV representation is described by the same "pyramid diagram" as appeared before in the SoV representation for the SL(2,C) spin magnet. We argue that this kernel is given by the product of the Baxter Q-operators projected onto a special reference state.

2003-01-01

158

Proton and deuteron spin structure function measurements in the resonance region

The applications of neutron reflectometry to study dynamic phenomena at surface and interfaces have been restricted so far. This was mainly due to the low intensity of neutron sources, but now high-intensity spallation neutron sources are under construction in Japan (J-PARC) and US (SNS). We are planning to install a spin-echo option on the J-PARC neutron reflectometer with horizontal sample geometry for studies of dynamics of surfaces and interfaces. This option is based on the resonance spin-echo method and aimed at dynamics up to hundreds of nanoseconds. In this contribution, the plan and status of development are introduced together with the principle and characteristics of this option.

2005-02-15

159

Physics with Polarized Antiprotons

The RSS collaboration has measured the spin structure functions of the proton and the deuteron at Jefferson Lab using the Hall C HMS spectrometer, a polarized electron beam and a polarized solid target. The asymmetries A and A were measured in the region of the nucleon resonances (0.82 GeV < W < 1.98 GeV) at an average four momentum transfer of Q2 = 1.3 GeV2. The extracted spin structure functions and their kinematic dependence will make a significant contribution in the study of higher-twist effects and polarized duality tests. A description of the experiment and the latest findings of the analysis will be presented.

2003-07-01

160

Photon-assisted spin-polarized transport in carbon nanotubes with impurities

Polarized antiprotons produced by spin filtering with an internal polarized gas target provide access to a wealth of single- and double-spin observables, thereby opening a window to physics uniquely accessible with the HESR at FAIR. This includes a first measurement of the transversity distribution of the valence quarks in the proton, and a first measurement of the moduli and the relative phase of the time-like electric and magnetic form factors G{sub E,M} of the proton. In polarized and unpolarized pp-bar elastic scattering open questions like the contribution from the odd charge-symmetry Landshoff-mechanism at large |t| and spin-effects in the extraction of the forward scattering amplitude at low |t| can be addressed.

2006-04-15

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161

Occurrence of magnetism in superconductors

Impurity effects on the photon-assisted spin-polarized transport through armchair carbon nanotubes connected with ferromagnetic leads are investigated theoretically. The impurity induces one resonant state whose position depends on the impurity strength, which can break the electron-hole symmetry. Whether the impurity suppresses or enhances the spin-coherent current depends on the nanotube length. When the microwave fields are applied on the nanotube, additional small side peaks caused by the photon-assisted tunneling are found. With increasing the impurity strength, one new current peak appears under the influence of both the microwave fields and the impurity.

2006-12-25

162

Nuclear quadrupole resonance of "9"3Nb in intermetallic compounds with A-15 crystal strucutre

We discuss how magnetic phenomena affect superconductivity in simple metals, transition metals and alloys thereof, and dilute Rare-Earth alloys. It is shown both qualitatively and quantitatively that superconductors are sensitive probes for studying itinerant spin excitations, local spin excitations associated with nearly magnetic impurities, the effect of the atomic environment on the stability of local magnetic moments, and the nature of the spin order in Rare-Earth alloys. Also, we discuss how magnetic impurities can be used to study the electronic configuration which is responsible for superconductivity in Laves-phase crystals like A-15 compounds and ..beta..-W crystals, for example.

1970-12-14

163

Identification of the 1/2/sup +/(660) proton orbitals at high spins in rare-earth nuclei

The impulse method has been used to study "9"3Nb (nuclear quadrupole resonance (NQR) parameters quadrupole connection constant, spin-lattice and spin-spin relaxation times) in binary intermetallic compounds of Nb_3X (x=Al, Ga, Ge, Sn, Pt, Os, Ir, Sb) and in some ternary phases on the basis of the Nb_3Al compound. The discussion on experimental data obtained is carried out in approximation of a tight connection for d-electrons.

1981-02-01

164

Higher spin symmetries and w_#infinity# algebra in the conformal affine Toda model

Decay sequences based on the 1/2/sup +/(660) proton orbital have been identified in /sup 171/Ta and /sup 177/Re based on spin, parity, and large alignment. This decay sequence is observed higher in energy than predicted in cranking calculations based on modified oscillator potentials. Similarly known 1/2/sup -/(541) decay sequences in these and other neighbouring isotopes are observed lower in energy than predicted. A reduction in the strength of the spin-orbit potential for protons is suggested as a solution to these problem.

1983-12-08

165

Fe clusters on Ni and Cu: size and shape dependence of the spin moment

As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w_#infinity# algebra) is established. (orig.).

1992-05-01

166

Electronic properties of thin Ni{sub 2}MnIn Heusler films

We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)

2006-01-01

167

Collective charge excitation of Sr_1_4_-_xCa_xCu_2_4O_4_1. A fingerprint of novel charge ordered state?

The half-metallic Heusler alloy Ni{sub 2}MnIn is of high interest for use in spin electronics since at the Ni{sub 2}MnIn/InAs interface a spin polarization of 100% is predicted. We prepare high-quality thin films of 20-60nm thickness by co-evaporation and DC magnetron sputtering. Point-contact Andreev reflection spectroscopy yields a spin polarization of up to 54%. By spectral generalized magneto-optical ellipsometry, the dielectric and magneto-optical properties are determined and ferromagnetic behavior below the Curie temperature T{sub C}=318K is proved.

2005-04-15

168

Tensors, spinors, and functions on the unit sphere

We review recent progress on experimental studies of collective charge excitations in hole-doped spin ladder system Sr_1_4_-_xCa_xCu_2_4O_4_1, focusing on anomalous features of phase excitation. We also discuss possible candidates for related charge ordered state, together with a controversial issue of the hole density transferred from spin chain layers to spin ladder layers. (author)

2007-04-01

169

T1-weighted MR Imaging of the Neonatal Brain at 3.0 Tesla: Comparison of Spin Echo, Fast Inversion Recovery, and Magnetization-prepared Three Dimensional Gradient Echo Techniques

A representation of tensors and spinors at a point of space-time as spin and conformally weighted functions on the unit sphere is derived. Methods for performing algebraic operations on tensors and spinors in this representation are discussed. (author).

170

Spin-down of protostars through gravitational torques

Full Text Available

2007-12-01

171

British Library Electronic Table of Contents (United Kingdom)

Abstract Young protostars embedded in circumstellar discs accrete from an angular momentum rich mass reservoir. Without some braking mechanism, all stars should be spinning at or near breakup velocity. In this paper, we perform simulations of the self-gravitational collapse of an isothermal cloud using the orion adaptive-mesh refinement code and investigate the role that gravitational torques might play in the spin-down of the dense central object. While magnetic effects likely dominate for low-mass stars, high-mass and Population III stars might be less well magnetized. We find that gravitational torques alone prevent the central object from spinning up to more than half of its breakup velocity, because higher rotation rates lead to bar-like deformations that enable efficient angular mome...

2011-01-01

172

Spin-density-wave transition and #mu#SR in the heavy-fermion Ce(Ru, T)_2Si_2, T = Rh, Pd

Spin polarisation and anomalous Hall effect in NiMnSb films

... 900526-11-8 277 p. MATERIALS SCIENCE antiferromagnetic materials cerium

1999-02-28

173

Spin freezing in the re-entrant spin glass FeNiMn close to the frustration limit

NiMnSb has attracted a great deal of interest as a spin injector/detector in spintronic devices because it has a Curie temperature of 728 K and is predicted to be half-metallic (100% spin polarized). NiMnSb has been reported to have greatly reduced surface polarization, and to lose its half metallicity above 80 K. Here we report the investigation of the surface polarisation and electronic structure of NiMnSb by measurement of the transport spin polarization using point contact Andreev reflection spectroscopy, and anomalous Hall effect in thin films on Si(0 0 1). A comparison to bulk properties is made.

2004-05-01

174

Search for extended conformal algebra

In the invar alloy (Fe{sub 0.65}Ni{sub 0.35}){sub 1-} {sub x} Mn {sub x} we measured the magnetic form factor s(Q) and the intermediate scattering function s(Q,t) for a sample close to the critical Mn concentration (x {sub c}=0.139), at which the sample turns to a re-entrant spin glass phase. The aim was to check whether the magnetic behaviour would approach the Q-independent relaxation behaviour of a classical spin glass when x=x {sub c}. The experiment showed a quite similar spin freezing as for a more ferromagnetic sample with x=0.113. The intermediate scattering function and the form factor were determined by paramagnetic NSE. The normalized scattering function S(Q,t)=s(Q,t)/s(Q)=exp[(-{gamma}t) {sup n}] was fitted by stretched exponential decay. As a function of temperature T<200 K the inverse time constant {gamma} showed the change of more than four orders of magnitude from frozen spin ...

2007-07-15

175

Propulsion and Power Rapid Response R&D Support ...

The authors search for the extended conformal algebra with two spin-s (s:integer) and one spin-1 generators. This search is inspired by the existence of chiral algebra in the Gaussian model for rational radius. For odd s, the conformal properties of the three-point functions imply that a general fusion rule can be reduced to those of the Gaussian model. For arbitrary even s, these conditions are weaker. In particular, for s = 2 the authors show that the chiral algebra of the Gaussian model is the unique extended conformal algebra with the value of the central charge fixed to be c = 1. It is also shown that the conformal generator is necessarily a bilinear of the spin-1 generator just as the Gaussian model. The authors conjecture that this remains true for arbitrary value of s.

1990-08-01

176

Nuclear data sheets for A=242

... Results of the AXI5345-18 Motor, Jeti Spin 99 Controller and the APC 27 x 13 Propeller in use with a Linearized Fuel Cell Model Assuming Voc ...

2008-12-01

177

Limitations of silicon devices for quantum computing

The available nuclear structure information for all nuclei with mass number A=242 is presented. Various decay and reaction data are evaluated. Adopted data, levels, spin and parity assignments are given.

178

High-efficiency Resonant rf Spin Rotator with Broad Phase Space Acceptance for Pulsed Polarized Cold Neutron Beams

There is considerable interest in the use of silicon devices as qubits for quantum computing. The existence of nuclear spin in a silicon isotope and the complex band structure of silicon are unfavourable for this application of silicon devices. (viewpoint)

2004-04-28

179

Gravity_on_Spinning_Cylinders - NASA Quest

High precision fundamental neutron physics experiments have been proposed for the intense pulsed spallation neutron beams at JSNS, LANSCE, and SNS to test the standard model and search for new physics. Certain systematic effects in some of these experiments have to be controlled at the few ppb level. The NPD Gamma experiment, a search for the small parity-violating {gamma}-ray asymmetry A{sub Y} in polarized cold neutron capture on parahydrogen, is one example. For the NPD Gamma experiment we developed a radio-frequency resonant spin rotator to reverse the neutron polarization in a 9.5 cm x 9.5 cm pulsed cold neutron beam with high efficiency over a broad cold neutron energy range. The effect of the spin reversal by the rotator on the neutron beam phase space is compared qualitatively to rf neutron spin flippers based on adiabatic fast passage. We discuss the design of the spin rotator and describe two ...

2008-08-01

180

Gamow-Teller and spin-dipole strength in the "4"0","4"8Ca(p vector,n vector) reactions at 135 MeV

You can find a discussion of time travel and Tipler's cylinder at this site: http://www.star-names.freeserve.co.uk/travel.htm ...

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

181

Frustration in R{sub 2}PdSi{sub 3} (R=Tb,Er): Spin-glass or magnetic short-range order? Neutron diffraction studies

Spin-flip probabilities for "4"8Ca(p vector, n vector)"4"8Sc reveal that at 0"0 the apparent continuum under and adjacent to the Gamow-Teller giant resonance is also primarily 1"+ strength. A comparison of "4"0Ca(p vector,n vector)"4"8Sc shows no discernable signature of Gamow-Teller strength in the region -30 > Q(MeV) > -45. The spin-flip component of the dipole resonance for "4"0Ca is broader than the non-spin-flip component. (orig.).

182

Frustration in R_2PdSi_3 (R=Tb,Er): Spin-glass or magnetic short-range order? Neutron diffraction studies

No abstract prepared.

2006-07-01

183

Exclusive ?0 electroproduction on transversely polarized protons

... dipole moments magnetic fields monocrystals neutron diffraction order-disorder

2006-03-27

184

Deposition of inhaled aerosols in beagle dogs

The exclusive electroproduction of ?0 mesons was studied with the HERMES spectrometer at the DESY laboratory by scattering 27.6 GeV positron and electron beams off a transversely polarized hydrogen target. Spin density matrix elements for this process were determined from the measured production- and decay-angle distributions of the produced ?0 mesons. These matrix elements embody information on helicity transfer and the validity of s-channel helicity conservation in the case of a transversely polarized target. From the spin density matrix elements, the leading-twist term in the single-spin asymmetry was calculated separately for longitudinally and transversely polarized ?0 mesons. Neglecting s-channel helicity changing matrix elements, results for the former can be compared to calculations based on generalized parton distributions, which are sensitive to the contribution of the total angular momentum of the quarks to the ...

2009-08-17

185

Application of the grazing angle polarized neutron reflectometry to study the magnetism in thin films and stratified media

Additional measurements have been made of deposition and retention of inhaled radioactively labeled iron oxide aerosols generated by a spinning top aerosol generator.

1977-05-01

186

A Magnetic Suspension and Excitation System for Spin Vibration ...

From optical point of view and due to the magnetic interaction of the cold neutrons with the unpaired electron shell, magnetic materials hae a neutron spin-dependent refractive index n[sup +] [spin up] and n[sup -] [spin down]. Magnetic media such as Fe, Co and Ni react like birefringent uniaxial crystals in ordinary optica. n[sup +] and n[sup -] are the equivalent of the ordinary and extraordinary refractive indices. The specular reflection of spin polarized neutrons which is due to the discontinuity of the magnetic induction at the surface of the ferromagnet is a sensitive probe of surface and interface magnetism. We shall first give the background of the art of polarized neutron optics. Secondly, some recent examples from surface and interface magnetism will be given to illustrate the power of this technique such as the magnetic coupling in thin films and multilayers and flux penetration in ...

1992-12-01

187

Use of lanthanide shift reagents with [sup 31]P FT-NMR spectroscopy to analyze concentrated lake-water samples

High Cycle Fatigue Initiative Workshop -Active Vibration. Control/Engine. Health Monitoring Session December 10,. 1996. The presentation was titled "Active ...

188

Silica Polyamine Composites: New Supramolecular Materials for Cation and Anion Recovery and Remediation

Several lanthanide shift reagents (LSR) were synthesized from praseodymium, europium, dysprosium, and terbium using ethylenediaminetetraacetic acid, trans-1,2-diaminocyclohexane-N,N,N[prime],N[prime]-tetraacetic acid, and diethylenetriaminepentaacetic acid for the purpose of separating overlapping [sup 31]P FT-NMR spectral signals of dissolved organic phosphorus compounds present in concentrated lake-water samples. The extent of change in signal position and line width of several known phosphorus compounds dissolved in pure water was examined as a function of solution pH and the molar ratio of LSR to phosphorus. Praseodymium ethylenediaminetetraacetate (PrEDTA) was determined to be the most effective LSR. Concentrated lake-water samples mixed with PrEDTA were examined with [sup 31]P FT-NMR. The use of PrEDTA provided separation of overlapping signals, indicated that phosphorus compounds were becoming isolated from the solution environment ...

1994-08-01

189

NMR study on the formation mechanism of #beta#-SiAlON from zeolite by nitridation using ammonia gas

The surface coverage of amorphous silica gels used in the synthesis of silica polyamine composites has been investigated by 29Si NMR. By diluting the polyamine anchor silane, chloropropyl trichlorosilane, with methyl trichlorosilane it was found that surface coverage could be markedly improved for a range of amine polymers after grafting to the silica surface. The commensurate decrease in the number of anchor points and increase in the number of free amines results in an increase in metal capacity and/or an improvement in capture kinetics. Solid state CPMAS-13C NMR has been employed to investigate the structure and metal ion binding of a series of these composite materials. It is reported that the highly branched polymer, poly(ethyleneimine) (PEI) exhibits much broader 13C NMR resonances than the linear polymers poly(allylamine) (PAA) and poly(vinylamine) (PVA). These results are understood in terms of the low energy ...

2006-03-01

190

Monitoring of the insecticide trichlorfon by phosphorus-31 nuclear magnetic resonance ({sup 31}P NMR) spectroscopy

#beta#-SiAlON was synthesized from a zeolite by NH_3 gas nitridation and its formation mechanism was investigated using X-ray diffraction and "2"9Si and "2"7Al NMR spectroscopy. It was revealed that most of the Si and Al atoms react to form #beta#-SiAlON via amorphous forms of Si-Al-O-N and O-SiAlON. Nitridation using NH_3 gas is an effective means of preventing mullite formation and promoting the introduction of nitrogen into aluminosilicate materials at lower temperatures than temperatures required by the carbothermal reduction nitridation process. Further, the NMR spectra showed that the siliceous part of the system changed into low z-value of Si_6_-_zAl_zO_zN_8_-_z (#beta#-SiAlON) and the incorporation of Al components into the #beta#-SiAlON was promoted in the later stages of the reaction. (author)

2008-09-01

191

Crystalline O,O'-di-sec-butyl and O,O'-diethyl dithiophosphate platinum(II) complexes: Synthesis, 13C and 31P CP/MAS NMR, single crystal X-ray diffraction studies and thermal behaviour

Trichlorfon is an organophosphorus insecticide, which is extensively being used for protection of fruit crops. Trichlorfon is a thermal labile compound, which cannot be easily determined by gas chromatography (GC) and has no suitable group for sensitive detection by high performance liquid chromatography (HPLC). In this study, a {sup 31}P nuclear magnetic resonance ({sup 31}P NMR) has been described for monitoring of trichlorfon without any separation step. The quantitative works of {sup 31}P NMR spectroscopy has been performed in the presence of an internal standard (hexamethylphosphoramide). Limit of detection (LOD) for this method has been found to be 55 mg L{sup -1}, without any sample preparation, and the linear working range was 150-5500 mg L{sup -1}. Relative standard deviation (R.S.D.%) of the method for three replicates within and between days was obtained {<=}9%. The average recovery efficiency was approximately 99-112%. This ...

2006-08-25

192

British Library Electronic Table of Contents (United Kingdom)

Crystalline bis(O,O'-di-sec-butyldithiophosphato)platinum(II) was prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the platinum(II) compound is comprised of one centrosymmetric mononuclear molecule [Pt{S2P(O-sec-C4H9)2}2], in which the dithiophosphate groups display structural equivalence in both 31P NMR and XRD data. A pair of the dithiophosphate ligands exhibit the same S,S'-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from...

2011-01-01

193

Acidity of H-Y zeolites: Role of extralattice aluminum

Tidal spin-up and magnetic braking in cataclysmic variables

The nature of extralattice aluminum and its effect on acidity in zeolites was studied. A series of zeolites (some commercial), dealuminated by various methods, were obtained having Si/Al ratios between 1.5 and 20. These were characterized using volumetric sorption, XRD, AA, NMR, and reaction studies. Samples dealuminated using ammonium hexafluorosilicate were found to contain little or no extralattice aluminum. In contrast, steam-dealuminated zeolites had large amounts of extralattice aluminum. In some cases a significant portion of the extralattice aluminum was unobservable by [sup 27]Al NMR, suggesting the existence of an aluminum species of low symmetry. Proton NMR indicated that all the protons were associated with the lattice aluminum atoms. Depending on the preparation history, different groups of H-Y zeolites exhibited different maxima in catalytic activity as a function of aluminum content. The maxima in catalytic ...

1993-02-01

194

Studies of off-shell amplitudes in string theory

Based on proposed models for the tidal spin-up and magnetic braking of stars with a convective outer envelope, it is suggested that the rotation of secondaries in cataclysmic variables is not necessarily synchronized with the orbital revolution. This may provide an explanation for the observed large range in the mass transfer rate (at the same orbital period) of cataclysmic variables above the period gap. (author).

195

Spin resonance strength calculations

Off-shell amplitudes for the open bosonic string and the closed spinning string are considered. Due to the presence of corners on the open string world sheet, strict Weyl invariance is broken. A consistent gauge-fixing procedure to treat this anomaly is described. Factorization of amplitudes with one or two off-shell strings and any number of on-shell tachyons is established. An attempt is made to construct a propagator for the spinning string. The inherent ambiguities in the choice of boundary conditions for the fermionic coordinates are outlined.

1989-01-01

196

Spin polarization and structure of the sup(181, 182, 187)Re and "1"7"7Ta states

In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

2008-10-06

197

Spin fluctuation changes in Ge doped YbPd_2Si_2

The properties of "1"7"7Ta and sup(181, 182, 187)Re states are discussed in the framework of the rotational model with the Coriolis coupling. The relations are obtained for calculating magnetic moments by this model in the jlK representation. The valent-nucleon spin polarization found on the basis of a comparison of the experimental values of magnetic moments with the calculated ones, is shown to depend on the number of nucleons of the same type.

1978-03-01

198

Spin evolution in wind-fed X-ray binaries

In YbPd_2Si_2, the valence of Yb is very close to 3+. Ge substitution of Si induces a negative pressure effect and the valence of Yb decreases. For the low Ge concentrations studied, the spin fluctuation temperature T_s_f increases and #chi#4f, the Yb derived 4f susceptibility, obeys the scaling law #chi#4f(T)=F(T/T_s_f). (orig.).

199

Spectroscopic, Structural, and Functional Characterization of the Alternative Low-Spin State of Horse Heart Cytochrome c

Global angular momentum balance suggests that the neutron stars in Be/X-ray binaries are not spinning in equilibrium. This requires an X-ray lifetime ''approx <'' 10"5 yr, and suggests that there are many 'dead' Be/X-ray binaries in the Galaxy. Some of these may be turned up as millisecond radio pulsars with Be star companions. (author).

200

Quenching of the 2psub(1/2)-2psub(3/2) proton spin-orbit splitting in the Sr-Zr region

The alternative low-spin states of Fe³⁺ and Fe²⁺ cytochrome c induced by SDS or AOT/hexane reverse micelles exhibited the heme group in a less...Full Text Available

2008-05-15

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201

Observation of inverse predissociation of spin-polarized atomic hydrogen at low temperatures

The constancy in excitation energy of the lowest 2/sup +/ state in the Sr isotopes across the N=56 subshell closure is shown to result from a reduction in the 2psub(1/2)-2psub(3/2) proton spin-orbit splitting as the 2dsub(5/2) neutron orbital is filled.

1984-06-14

202

Nuclear effective forces and isotope shifts

Measurements of the two-body recombination of spin-polarized atomic hydrogen in a magnetic field of 40 kG have been extended to temperatures above 0.5/sup 0/K. The rate constant for the formation of parahydrogen shows an unexpected increase with temperature, which is explained by inverse predissociation into the v = 14,J = 4 level of H/sub 2/. Data indicate the level is bound by 0.7 +- 0.1/sup 0/K.

1986-10-01

203

Multilayer structures with giant magnetoresistance

Presently available relativistic and nonrelativistic effective interactions do not predict the same behavior for the isotope shifts in the Pb region.We analyze this difference and find that it is related to the characteristics of the spin-orbit term used in the parametrizations. We show that a simple modification of the spin-orbit contribution to the nonrelativistic Skyrme functional solves this problem. ((orig.))

1995-02-27

204

Electromagnetic properties of generalized Majorana particles

The phenomenological description of the giant magnetoresistance effect as well as discussion of the requirements which must be fulfilled in giant magnetoresistance thin film structures are given in the first part of our review. In the second part the magnetization reversal and giant magnetoresistance effect of antiferromagnetically coupled multilayers, spin Valve and pseudo-spin valve thin film structures are explained. For these structures we also discuss the influence of the structure defects such as surface roughness and pinholes on the giant magnetoresistance effect. (author)

2001-09-23

205

Dynamics of itinerant ferromagnets above T/sub c/

We prove a theorem stating that a massive Majorana particle (a CPT-self-conjugate particle) with arbitrary spin J can possess only an anapole moment and multipoles of that. We also show that massless Majorana particles, except those of spin (1/2, do not have any single-photon electromagnetic form factor.

1989-02-20

206

Depth profile of uncompensated spins in an exchange bias system

The existence of propagating spin waves above T/sub c/ in Ni and Fe has been widely accepted since this picture was first advocated in 1973. In this brief review of our current neutron scattering experiments on Fe and Ni we will present convincing evidence showing that this picture is incorrect. In addition, we will demonstrate that over wide ranges of ..omega.., q and temperature, both Fe and Ni follow a simple paramagnetic scattering function of the spin diffusion type. 19 references.

1984-04-01

207

Conductive, spin-cast carbon films from polyacrylonitrile

We have used the unique spatial sensitivity of polarized neutron and soft x-ray beams in reflection geometry to measure the depth dependence of magnetization across the interface between a ferromagnet and antiferromagnet. The new uncompensated magnetization near the interface responds to applied field, while the uncompensated spins in the antiferromagnetic bulk are pinned, thus providing a means to establish exchange bias.

2005-05-17

208

Competition between strong and decoupling schemes in "1"8"7Ir

Polyacrylonitrile films have been spin cast and pyrolyzed to produce thin (500--1500 A) carbon films. These films have higher electrical conductivities than films produced by other methods at similar temperatures. The conductivity can be varied by at least four orders of magnitude by changing the pyrolysis temperature. Ultraviolet, infrared, and Raman spectroscopies were used to investigate the chemical structure of the films during different stages of processing.

1987-05-18

209

Closed smooth strings on a torus

Low spin states (Jspin states is found in "1"8"7Ir to which this theory is applied. (Auth.).

210

Spacetime constraints on accreting black holes

The free energy of a gas of closed strings with extrinsic curvature (smooth strings) is evaluated on a torus. This is compared with the free energy of a collection of free particles, and hence the mass spectrum of excitations of the smooth strings is deduced. It is found that above a critical value of the coupling constant of the curvature term the spectrum is free of tachyons. Furthermore, there are no massless spin-2 excitations. The absence of massless spin-2 fields is a consequence of the fact that the smooth-string theory is not modular invariant.

1988-02-15

211

Quantum frustration in organic Mott insulators: from spin liquids to unconventional superconductors

We study the spin dependence of accretion onto rotating Kerr black holes using analytic techniques. In its linear regime, angular momentum transport in MHD turbulent accretion flow involves the generation of radial magnetic field connecting plasma in a differentially rotating flow. We take a first principles approach, highlighting the constraint that limits the generation and amplification of radial magnetic fields, stemming from the transfer of energy from mechanical to magnetic form. Because the energy transferred in magnetic form is ultimately constrained by gravitational potential energy or Killing energy, the spin dependence of the latter allows us to derive spin-dependent constraints on the success of the accreting plasma to expel its angular momentum. We find an inverse relationship between this ability and black hole spin. If this radial magnetic field generation forms the basis for angular ...

2009-06-15

212

Gravitational field and equations of motion of spinning compact binaries to 2.5 post-Newtonian order

We review the interplay of frustration and strong electronic correlations in quasi-two-dimensional organic charge transfer salts, such as k-(BEDT-TTF)_2X and Et_nMe_{4-n}Pn[Pd(dmit)2]2. These two forces drive a range of exotic phases including spin liquids, valence bond crystals, pseudogapped metals, and unconventional superconductivity. Of particular interest is that in several materials there is a direct transition as a function of pressure from a spin liquid Mott insulating state to a superconducting state. Experiments on these materials raise a number of profound questions about the quantum behaviour of frustrated systems, particularly the intimate connection between spin liquids and superconductivity. Insights into these questions have come from a wide range of theoretical techniques including first principles electronic structure, quantum many-body theory and quantum field theory. In this review we introduce the basic ...

2010-01-01

213

"Spin" and "Orbital" Flows in a Circularly Polarized Paraxial Beam: Orbital Rotation without Orbital Angular Momentum

We derive spin-orbit coupling effects on the gravitational field and equations of motion of compact binaries in the 2.5 post-Newtonian approximation to general relativity, one PN order beyond where spin effects first appear. Our method is based on that of Blanchet, Faye, and Ponsot, who use a post-Newtonian metric valid for general (continuous) fluids and represent pointlike compact objects with a delta-function stress-energy tensor, regularizing divergent terms by taking the Hadamard finite part. To obtain post-Newtonian spin effects, we use a different delta-function stress-energy tensor introduced by Bailey and Israel. In a future paper we will use the 2.5PN equations of motion for spinning bodies to derive the gravitational-wave luminosity and phase evolution of binary inspirals, which will be useful in constructing matched filters for signal analysis. The gravitational field derived here may help ...

2001-01-01

214

Polymers and paper as packaging materials of irradiated food

In light beams with circular or elliptic polarization, the transverse energy flow consists of the "spin" and "orbital" parts. Both of them can induce the orbital motion of microparticles suspended within the field of a light beam, and this should be taken into account in experiments on the spin-to-orbital angular momentum conversion. The character of the spin, orbital and total transverse energy flows in circular Laguerre-Gaussian beams is studied analytically; graphical representations of the flows in the beam cross section (flow maps) are calculated and analyzed. The spin circulatory flow can be directed oppositely to the orbital one and/or to the polarization handedness. As a result, the total transverse energy circulation of a beam with homogeneous circular polarization can be of different handedness in different regions of the beam cross section, which are separated by the contours of zero ...

2009-01-01

215

Patagonicosides B and C, two antifungal sulfated triterpene glycosides from the sea cucumber Psolus patagonicus.

Effects of #gamma#-irradiation on synthetic polymers and paper used as packaging materials for irradiated food have been studied by NMR. Polystyrene, polybutadiene and some copolymers were studied before and after the #gamma#-irradiation treatment and in the presence or absence of antioxidants and stabilisers. In the absence of additives, the effect of #gamma#-irradiation on polystyrene is negligible even irradiating at high doses. In turn, the role of antioxidants and stabilisers is crucial in polybutadiene and butadiene-containing copolymers. Wood pulp paper was also studied by NMR. Preliminary measurements on #gamma#-irradiated wood pulp sheets show a shortening in the T_2 relaxation time component due to the bound water, i.e. some of the bound water is lost. (author)

2000-03-01

216

Investigation of the electronic structure of base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) and related compound types

Two new triterpene glycosides, patagonicosides B and C (2 and 3, resp.), together with the known patagonicoside A (1), have been isolated from the EtOH extract of the sea cucumber Psolus patagonicus. The structures of the new compounds were established on the basis of extensive NMR spectroscopic analysis ((1)H- and (13)C-NMR, (1)H,(1)H-COSY, HMBC, HSQC, TOCSY, and NOESY), HR-ESI-MS data, and chemical transformations. Compounds 1-3 and their desulfated analogs showed antifungal activities against the phytopathogenic fungus Cladosporium cladosporoides in a dose-dependent fashion. PMID:21404430

2011-03-01

217

Evaluation of gels obtained from acetylation of chitosan in heterogeneous medium

The purpose of this work is the elucidation of the f"n electronic structure of neutral mono base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) (Cp_2Ln). The available data on related compounds like bis adducts and anionic mono adducts of the same moiety was also analyzed. The first aim was to derive the experimental crystal field splitting pattern from optical, magnetooptical and magnetochemical measurements and to reproduce it using an empirical Hamiltonian operator. The eigenvalues and eigenvectors obtained in this manner were used for a quantitative interpretation of the magnetochemical, EPR- and NMR-spectroscopic properties. For the latter subject it was necessary to develop an own procedure for the NMR analysis of paramagnetic compounds. This method is based on factor analysis and as demonstrated in the second part of this work, is clearly superior to all previous procedures. (orig.).

218

Endophytic fungus Trichothecium roseum LZ93 antagonizing pathogenic fungi in vitro and its secondary metabolites

Chitosan was acetylated during 2, 5 and 10 h and physical gels were obtained at different polymer concentrations in N,N-dimethylacetamide containing 5% of LiCl. Acetylation was confirmed by infrared spectroscopy and "1"3C NMR, and degrees of acetylation in the range of 0.82-0.91 were determined by NMR. The O-acetylation degree (0.12-0.15) was exclusively determined by a volumetric method. Rheological studies showed that the storage modulus values were smaller for the more acetylated samples and increased with the temperature and the polymer concentration. All the gels presented storage modulus superior to loss modulus, evidencing more elastic than viscous characteristics. The results obtained in this work suggest a gelation process based on a balance between O and N-acetylation and intermolecular bonds. (author)

219

British Library Electronic Table of Contents (United Kingdom)

The endophytic fungus Trichothecium roseum LZ93 from Maytenus hookeri was found to antagonize other pathogenic fungi in vitro. To identify which compound contributed substantially to the antagonism, we fermented the strain and purified its fermentation products. Eleven compounds were obtained, including two trichothecenes, five rosenonolactones, two cardiotonic cyclodepsipeptides, and two sterols. Compound 11?-hydroxyrosenonolactone (1) was assigned according to 1D and 2D-NMR data for the first time. At the same time, the 1H and 13C-NMR assignments for 6?-hydroxyrosenonolactone (2) were revised. Of all of them, only trichothecin (6) showed strong antifungal activity. Based on our observations of the antagonistic activity and the other experimental results, we suggest that the antifungal co...

2010-01-01

220

Effects of molecular mobility on high resolution solid state NMR spectra: model systems

Cationic cyclization of purified natural rubber in latex form with a trimethylsilyl triflate as a novel catalyst

It is the intention of this paper to point to some of the problems due to molecular motion and to suggest a few solutions to those problems. A few examples will be presented of model systems which demonstrate the effects of motion on the NMR spectroscopy and a very qualitative example of severe spectral distortion in fulvic acids will be shown. In the following discussions we will use concepts derived from the oft repeated thermodynamic picture shown in figure 1. When dealing with a homogeneous, pure compound this picture is sufficient but in a heterogeneous mixture, it is likely that there will be different compounds and different domains all with slightly different versions of figure 1 with poor thermodynamic contact between them. Thus optimal conditions for cross polarization in one domain may be totally inappropriate for another. 59 refs., 10 figs.

1986-01-01

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221

British Library Electronic Table of Contents (United Kingdom)

Cyclization of deproteinized natural rubber (DPNR) or purified natural rubber latex was effectively performed in latex phase by using trimethylsilyl-trifluoromethane sulfonate or trimethylsilyl triflate (TMSOTF) as a novel catalyst, which is still not reported in the case of natural rubber latex. Various cyclization conditions affecting the degree of cyclization were studied, such as dry rubber contents, temperature, TMSOTF concentrations, and time. The cyclized products were characterized by FTIR, Raman, 1H-, and 13C-NMR spectroscopies, as well as DSC and TGA. The degree of cyclization was estimated by 1H-NMR spectrum. It was found that the degree of cyclization in NR was a function of cyclization conditions. The thermal stability of cyclized DPNR increased with the degree of cyclization....

2007-01-01

222

Asymmetric Hydrogenation with Highly Active IndolPhos-Rh Catalysts: Kinetics and Reaction Mechanism

British Library Electronic Table of Contents (United Kingdom)

The mechanism of the IndolPhos-Rh-catalyzed asymmetric hydrogenation of prochiral olefins has been investigated by means of X-ray crystal structure determination, kinetic measurements, high-pressure NMR spectroscopy, and DFT calculations. The mechanistic study indicates that the reaction follows an unsaturate/dihydride mechanism according to Michaelis-Menten kinetics. A large value of KM (KM=5.01+-0.16 M) is obtained, which indicates that the Rh-solvate complex is the catalyst resting state, which has been observed by high-pressure NMR spectroscopy. DFT calculations on the substrate-catalyst complexes, which are undetectable by experimental means, suggest that the major substrate-catalyst complex leads to the product. Such a mechanism is in accordance with previous studies on the mechanism...

2010-01-01

223

A non-uniformly sampled 4D HCC(CO)NH-TOCSY experiment processed using maximum entropy for rapid protein sidechain assignment

/sup 109/Ag NMR spectra of aqueous silver ions coordinated with nitroxide radical. Silver-TANOL complex and TANOL as a doping agent

One of the stiffest challenges in structural studies of proteins using NMR is the assignment of sidechain resonances. Typically, a panel of lengthy 3D experiments are acquired in order to establish connectivities and resolve ambiguities due to overlap. We demonstrate that these experiments can be replaced by a single 4D experiment that is time-efficient, yields excellent resolution, and captures unique carbon-proton connectivity information. The approach is made practical by the use of non-uniform sampling in the three indirect time dimensions and maximum entropy reconstruction of the corresponding 3D frequency spectrum. This 4D method will facilitate automated resonance assignment procedures and it should be particularly beneficial for increasing throughput in NMR-based structural genomics initiatives.

2010-05-01

224

PKU-RBRC Workshop on Transverse Spin

The effects of TANOL radical have been examined on chemical shifts and relaxation rates of /sup 109/Ag NMR in aqueous solution of silver salts. The silver ion in aqueous solution is found to coordinate with TANOL radical. A small amount of TANOL is added as a doping agent(0.020M), since /sup 109/Ag signals are obtained for (1.0M) silver ion within 30 minutes. The /sup 109/Ag chemical shifts of silver salt in aqueous solutions were found within the range of 0 to -1000 ppm relative to that of 1.0M AgNo/sub 3/.

1982-09-01

225

Room temperature synthesis of tri-, tetrasubstituted imidazoles and bis-analogues by mercaptopropylsilica (MPS) in aqueous methanol: application to the synthesis of the drug trifenagrel

Understanding the structure of the nucleon is a fundamental question in subatomic physics, and it has been under intensive investigation for the last several years. Modern research focuses in particular on the spin structure of the nucleon. Experimental and theoretical investigations worldwide over the last few decades have established that, contrary to nave quark model expectations, quarks carry only about 30% of the totd spin of the proton. The origin of the remaining spin is the key question in current hadronic physics and also the major driving forces for the current and future experiments, such as RHIC and CEBAF in US, JPARC in Japan, COMPASS at CERN in Europe, FAIR at GSI in Germany. Among these studies, the transverse-spin physics develops actively and rapidly in the last few years. Recent studies reveal that transverse-spin physics is closely related to many fundamental ...

2008-06-30

226

British Library Electronic Table of Contents (United Kingdom)

The heterogeneous solid catalyst, mercaptopropylsilica (MPS), has been prepared by a modified procedure in water and its structure confirmed by solid state carbon-13 CP-MAS NMR spectrum. This catalyst has been efficiently utilized for the synthesis of a wide variety of tri-, tetrasubstituted imidazoles and their bis-analogues at room temperature. The protocol was further explored for the synthesis of the drug trifenagrel.

2010-01-01

227

Reactivity of aliphatic amines toward platinum(II) complexes

Quantum molecular dynamics and molecular interactions studied by NMR and INS[Nuclear magnetic resonance; Proton tunnelling; Hydrogen bond

Reaction kinetics for the displacement of 5-aminoquinoline (5-Aq) and diethyl sulfide (SEt{sub 2}) from cis-[PtPh{sub 2}(CO)(L)] (L = 5-Aq or SEt{sub 2}) by aliphatic amines was measured for a wide array of amines. Reaction products were characterized by IR and NMR spectroscopies and crystalk structures of selected products were reported. Steric effects on the substitutions were discussed.

1994-08-31

228

Quality control in Nuclear Magnetic Resonance Imaging. Indications et strategies pour le controle de qualite en IRM

The wavefunction of a particle extends into the classically forbidden barrier region of the potential energy surface. The consequence of this partial delocalisation is the phenomenon of quantum tunnelling, an effect which enables a particle to penetrate a potential barrier of magnitude greater than the energy of the particle. The tunnelling probability is an exponential function of the particle mass. The effect is therefore an important contribution to the behaviour of light atoms, in particular the proton. The hydrogen bond has long been appreciated to be an essential component of many biological and chemical systems, and the proton transfer reaction in the hydrogen bond is fundamental to many of these processes. The proton behaviour in the hydrogen bonds of benzoic acid, acetylacetone and calix-4-arene has been studied. A variety of techniques, both experimental and computational, were adopted for the study of the three hydrogen bonded systems. The complementary spectroscopic ...

2002-07-01

229

Physical basis of the effect of hemoglobin on the "3"1P NMR chemical shifts of various phosphoryl compounds

In this article, the authors recall the factors apt to influence image quality in NMR Imaging and present the european works that have been developed in MRIQA to set 5 quality assurance tests: EUROSPIN 1 to 5.

1993-01-01

230

Phospholamban and its Phosphorylated Form Interact Differently with Lipid Bilayers: A ³¹P, ²H and ¹³C Solid-State NMR Spectroscopic Study

The marked difference between the intra- and extracellular "3"1P NMR chemical shifts of various phosphoryl compounds when added to a red cell suspension may be largely understood in terms of the effects of hemoglobin on the "3"1P NMR chemical shifts. The presence of [oxy- or (carbonmonoxy)-] hemoglobin inside the red cell causes the bulk magnetic susceptibility of the cell cytoplasm to be significantly less than that of the external solution. This difference is sufficient to account for the difference in the intra- and extracellular chemical shifts of the two phosphate esters trimethyl phosphate and triethyl phosphate. However, in the case of the compounds dimethyl methylphosphonate, diethyl methylphosphonate, and trimethylphosphine oxide as well as the hypophosphite, phenylphosphinate, and diphenylphosphinate ions, hemoglobin exerts an additional, much larger, effect, causing the "3"1P NMR resonances to shift to lower ...

231

Molecules with polymerizable ligands as precursors to porous doped materials

Phospholamban (PLB) is a 52-amino acid integral membrane protein that helps to regulate the flow of Ca²⁺ ions in cardiac muscle cells. Recent structural studies on the PLB pentamer...Full Text Available

2006-11-07

232

Model for ionic hopping in Li/sub 3/N

Titanium and aluminum alkoxide derivatives with polymerizable ligands such as 2-(methacryloyloxy)ethylacetoacetate (HAAEMA), oleic acid and geraniol (HOGE) have been obtained. The various compounds have been characterized by FT-IR and NMR {sup 1}H. Copolymerization with styrene and divinylbenzene affords porous doped organic materials which have been characterized by scanning electron microscopy (SEM), elemental analysis, density measurements.

1996-12-31

233

Medium-chain fatty acid binding to albumin and transfer to phospholipid bilayers.

Analysis of published NMR relaxation data of /sup 6/Li and /sup 7/Li in Li/sub 3/N leads to a unique model fo Li/sup +/ hopping along the c-axis. It is one in which an ion goes directly from one Li(1) plane to another Li(1) plane by passing through the intermediate Li(2) plane.

1980-08-01

234

Measurement of the susceptibility of solid "3He along the melting curve from 20 mK down to the nuclear ordering temperature

Temperature-dependent (5-42 degrees C) 13C NMR spectra of albumin complexes with 90% isotopically substituted [1-13C]decanoic acids (3 mol of fatty acid per mol of albumin) showed a single peak at greater...Full Text Available

1989-04-01

235

Fatty acid distribution in systems modeling the normal and diabetic human circulation. A 13C nuclear magnetic resonance study.

The susceptibility of solid "3He is deduced from multiple echoes observed in pulsed NMR experiments. It follows a Curie Weiss law at high temperature, increases faster than this law below 5 mK and drops abruptly around 1 mK. (Auth.).

1977-02-01

236

Effect of steric hindrance on carbon dioxide absorption into new amine solutions. Thermodynamic and spectroscopic verification through solubility and NMR analysis

A nonperturbing 13C nuclear magnetic resonance (NMR) method was used to monitor the equilibrium distribution of carboxyl 13C-enriched fatty acids (FA) between distinct binding sites on human serum albumin,...Full Text Available

1991-04-01

237

Characterization of polymers for microcellular foams

Aqueous solutions of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD), a sterically hindered amine, was examined as a potential CO{sub 2} absorbent and compared with the most commonly used absorbent, monoethanolamine (MEA) solution, through equilibrium solubility measurements and {sup 13}C NMR spectroscopic analyses. The solubilities of CO{sub 2} in aqueous 10 mass % AHPD solutions were higher than those in aqueous 10 mass% MEA solutions above 4 kPa at 298.15 K, but lower below 4 kPa. The solubility difference between these two solutions increased with the CO{sub 2} partial pressures above the crossover pressure. Equilibrated CO{sub 2}-MEA-H{sub 2}O and CO{sub 2}-AHPD-H{sub 2} solutions at various CO{sub 2} partial pressures ranging from 0.01 to 3000 kPa were analyzed by {sup 13}C NMR spectroscopy. AHPD contains more hydroxyl groups than nonhindered MEA, and hence the chemical shifts in its {sup 13}C NMR spectra were strongly ...

2003-04-15

238

Calculation of the knight shift in the system CaCdsub(1-x)Tlsub(x) by using relativistic APW wave functions

We have measured, by {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR), the percent deuteration, the tacticity and the purity of several polymers and one solvent used in the preparation of microcellular foams. The percent deuteration was measured for polystyrene, polyacrylonitrile and polyethylene. The tacticities of polystyrene and polyacrylonitrile were determined. The purity and degradation products of polyacrylonitrile and maleic anhydride were examined. This report documents the experimental procedures and results of these measurements.

1992-03-01

239

Besarhanamides A and B from the marine cyanobacterium Lyngbya majuscula

For the intermetallic system CaCdsub(1-x)Tlsub(x), 0 <= x <= 1, the Knight shift Ksub(s) of the Cd-NMR and the Tl-NMR were calculated as a function of x, Ksub(s) = Ksub(s)(x). The theoretical investigations were performed on the basis of relativistic augmented-plane-wave (RAPW) band-structure calculations for the boundary phases CaCd and CaTl respectively, and by using the rigid band model for the ternary phases. The density of states and the matrix elements of the relativistic hyperfine operator for electron states at the Fermi surface were calculated in detail. The obtained values were compared with nonrelativistic calculations. The effect of using different exchange potentials was studied for Ksub(s)(Tl). For the Cd-NMR the relativistic effects enhance the nonrelativistic results by a factor of about 1.4. The theoretical value for the Knight shift is smaller than the experimental one by a factor of 1.13. The band ...

240

British Library Electronic Table of Contents (United Kingdom)

Besarhanamides A (1) and B (2) are fatty acid amides purified from the marine cyanobacterium, Lyngbya majuscula, collected from Pulau Hantu, Singapore. The structure determination of these secondary metabolites was carried out using extensive 2D NMR spectral data as well as chemical manipulations including the Marfey's method. In addition, besarhanamide A exhibited moderate toxicity with LD50 at 13mM in the brine shrimp toxicity bioassay.

2008-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

241

Tuning the spin state of iron phthalocyanine by ligand adsorption

Study of the cyclotron feature in MXB 0656-072

The future use of single-molecule magnets in applications will require the ability to control and manipulate the spin state and magnetization of the magnets by external means. There are different approaches to this control, one being the modification of the magnets by adsorption of small ligand molecules. In this paper we use iron phthalocyanine supported by an Au(111) surface as a model compound and demonstrate, using x-ray photoelectron spectroscopy and density functional theory, that the spin state of the molecule can be tuned to different values (S #approx# 0, 1/2, 1) by adsorption of ammonia, pyridine, carbon monoxide or nitric oxide on the iron ion. The interaction also leads to electronic decoupling of the iron phthalocyanine from the Au(111) support. (fast track communication)

2010-12-01

242

Spin transition in octahedral metal complexes containing tetraazamacrocyclic ligands

We have monitored a Type II outburst of the Be/X-ray binary MXB 0656-072 in a series of pointed RXTE observations during October through December 2003. The source spectrum shows a cyclotron resonance scattering feature at 32.8 +/- 0.5 keV, corresponding to a magnetic field strength of (3.67 +/- 0.06) x 10^12 G and is stable through the outburst and over the pulsar spin phase. The pulsar, with an average pulse period of 160.4 +/- 0.4 s, shows a spin-up of 0.45 s over the duration of the outburst. From optical data, the source distance is estimated to be 3.9 +/- 0.1 kpc and this is used to estimate the X-ray luminosity and a theoretical prediction of the pulsar spin-up during the outburst.

2006-01-01

243

British Library Electronic Table of Contents (United Kingdom)

This review focusses on spin crossover complexes with octahedral metal ions which are bound to a tetraazamacrocyclic ligand and additionally either to two monodentate ligands or to one bidentate ligand. Macrocyclic ligands with a sufficiently large ring size prefer to coordinate to metal ions in an equatorial fashion yielding trans-octahedral coordination environments. In contrast, twelve-membered tetraazamacrocycles with high steric rigidity, such as 2,11-diaza[3.3](2,6)pyridinophanes or 2,11-dithia[3.3](2,6)pyridinophane, are prone to form cis-octahedral complexes. While the electronic and the steric properties of the coordinated tetraazamacrocycle in trans-octahedral complexes are very likely responsible for the paucity of observed spin transitions, the cis-octahedral coordination mode ...

2009-01-01

244

Spin qubits in antidot lattices

DEFF Research Database (Denmark)

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

2008-01-01

245

Spin compensation cloud and the Kondo effect

Spin compensation cloud and the Kondo effect

We have used polarised neutrons to measure the integrated magnetic cross-section of a dilute alloy of Ce in Y a Kondo system, T{sub K}{approx}40 K. Previous polarised neutron measurements of the field-induced magnetic form factor found no anomalies that could be attributed to the formation of a spin compensation cloud around the Ce ion. The present measurements, focused on the diffuse low-Q range, represent information over a very wide length scale in real space. Again, they show no changes in the Q-dependence of the form-factor at low temperatures that could be attributed to the formation of a spin compensation cloud. An alternative interpretation of the phenomenon based on the dynamical magnetic susceptibility of Y-Ce is proposed.

2008-04-01

246

How do Black Holes Spin in Chern-Simons Modified Gravity?

We have used polarised neutrons to measure the integrated magnetic cross-section of a dilute alloy of Ce in Y a Kondo system, T_K#approx#40 K. Previous polarised neutron measurements of the field-induced magnetic form factor found no anomalies that could be attributed to the formation of a spin compensation cloud around the Ce ion. The present measurements, focused on the diffuse low-Q range, represent information over a very wide length scale in real space. Again, they show no changes in the Q-dependence of the form-factor at low temperatures that could be attributed to the formation of a spin compensation cloud. An alternative interpretation of the phenomenon based on the dynamical magnetic susceptibility of Y-Ce is proposed.

2008-04-01

247

Fabrication of colloidal crystals on hydrophilic/hydrophobic surface by spin-coating

No Kerr-like exact solution has yet been found in Chern-Simons modified gravity. Intrigued by this absence, we study stationary and axisymmetric metrics that could represent the exterior field of spinning black holes. For the standard choice of the background scalar, the modified field equations decouple into the Einstein equations and additional constraints. These constraints eliminate essentially all solutions except for Schwarzschild. For non-canonical choices of the background scalar, we find several exact solutions of the modified field equations, including mathematical black holes and pp-waves. We show that the ultrarelativistically boosted Kerr metric can satisfy the modified field equations, and we argue that physical spinning black holes may exist in Chern-Simons modified gravity only if the metric breaks stationarity, axisymmetry or energy-momentum conservation.

2007-01-01

248

British Library Electronic Table of Contents (United Kingdom)

Herein, we demonstrate the structure of the PS colloidal crystals which were fabricated on the hydrophilic/hydrophobic Si wafers by a spin-coating technique. Monodisperse PS colloids are spin-coated onto self-assembled monolayers of 3-(aminopropyl)triethoxysilane and propyltrimethoxysilane coated Si wafers. PS spheres organized as ordered close-packed face-centered cubic structure with (111) planes on the hydrophilic surface while they gathered without the crystal structure on the hydrophobic surface. This paper also reports a simple and rapid method to fabricate the close-packed structure of hollow TiO2 spheres. The colloidal crystal of TiO2 hollow spheres was prepared using the PS sphere template on the hydrophobic surface. The mechanism for the growing multilayers of self-assembled PS p...

2011-01-01

249

Dimensional Reductions for the Computation of Time-Dependent Quantum Expectations

Baxter Q-operator and Separation of Variables for the open SL(2,R) spin chain

We consider dimensional reduction techniques for the Liouville-von Neumann equation for the evaluation of the expectation values in a mixed quantum system. In applications such as nuclear spin dynamics the main goal for simulations is being able to simulate a system with as many spins as possible, for this reason it is very important to have an efficient method that scales well with respect to particle numbers. We describe several existing methods that have appeared in the literature, pointing out their limitations particularly in the setting of large systems. We introduce a method for direct computation of expectations via Chebyshev polynomials (DEC) based on evaluation of a trace formula combined with expansion in modified Chebyshev polynomials. This reduction is highly efficient and does not destroy any information. We demonstrate the practical application of the scheme for a nuclear spin system and compare with several ...

2010-01-01

250

Solution conformations of CaCl sub 2 and Ca(NO sub 3 ) sub 2 complexes of chiral tetramethyl 18-crown-6 macrocycles: A 1D and 2D sup 1 H and sup 13 C NMR investigation

We construct the Baxter Q-operator and the representation of the Separated Variables (SoV) for the homogeneous open SL(2,R) spin chain. Applying the diagrammatical approach, we calculate Sklyanin's integration measure in the separated variables and obtain the solution to the spectral problem for the model in terms of the eigenvalues of the Q-operator. We show that the transition kernel to the SoV representation is factorized into the product of certain operators each depending on a single separated variable. As a consequence, it has a universal pyramid-like form that has been already observed for various quantum integrable models such as periodic Toda chain, closed SL(2,R) and SL(2,C) spin chains.

2003-01-01

251

Pressure driven spinning: A multifaceted approach for preparing nanoscaled functionalized fibers, scaffolds, and membranes with advanced materials

One- and two-dimensional NMR techniques have been used to investigate the solution structures of (2S,6S,11S,15S)-2,6,11,15-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane (I) and (2R,3R,11R,12R)-2,3,11,12-tetramethyl-1,4,7,10,13,16-hexaoxyacyclooctadecane (II) macrocycle complexes of CaCl{sub 2} and Ca(NO{sub 3}){sub 2} in CDCl{sub 3}. Previous chiroptical studies of these and similar crown complexes by circularly polarized luminescence (CPL), total luminescence (TL), and circular dichroism (CD) spectroscopy have shown that the macrocycle asymmetric carbons in these complexes constrain the ring such that the sense of the ring twist in the S chiral ring complexes is opposite to that in the R chiral ring complexes. These studies have also shown that there is an added chirality element in the di- and trivalent (alkaline earth and lanthanide metal, respectively) nitrate complexes of I and II associated with the twist of the nitrate anions relative to one another as ...

1989-10-04

252

Osmotically Induced Removal of Water from Fungal Cells as Determined by a Spin Probe Technique 1

Electrospinning, a flexible jet-based fiber, scaffold, and membrane fabrication approach, has been elucidated as having significance to the heath sciences. Its capabilities have been most impressive...Full Text Available

253

High spin states of some nuclei around the N=Z=28 double closed shell

Effects of physical environment on plasma membrane semipermeability and osmotic induction of changes in aqueous cytoplasmic volume were studied in vegetative and spore cells of a plant pathogenic fungus,...Full Text Available

1978-11-01

254

High spin states of some nuclei around the N=Z=28 double closed shell

A spectroscopic study is performed for high spin states of {sup 55}Fe, {sup 55}Co and {sup 57}Ni. To populate the investigated residues with a relevant cross section, the fusion evaporation reactions of {sup 30}Si({sup 28}Si, 2pn){sup 55}Fe, {sup 30}Si({sup 28}Si, 2pn){sup 55}Co and {sup 4}He({sup 54}Fe, n){sup 57}Ni were chosen. To identify the new {gamma} transitions and to build the energy level schemes, {gamma}-{gamma} coincidence techniques together with excitation functions were employed. Angular distributions and {gamma}-{gamma} angular correlations allowed us to assign the spin values of the nuclear states. The previous level scheme of {sup 55}Fe is extended into the region between 6.5-11 MeV of excitation energy, up to spin 27/2, while the yrast decay pathos of {sup 57}Ni and {sup 55}Co are reported here for the first time. Experimental data are fairly well reproduced by Glaudemans' shell model ...

1989-12-01

255

First principle calculation on the electronic structure of the copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine)

A spectroscopic study is performed for high spin states of "5"5Fe, "5"5Co and "5"7Ni. To populate the investigated residues with a relevant cross section, the fusion evaporation reactions of "3"0Si("2"8Si, 2pn)"5"5Fe, "3"0Si("2"8Si, 2pn)"5"5Co and "4He("5"4Fe, n)"5"7Ni were chosen. To identify the new #gamma# transitions and to build the energy level schemes, #gamma#-#gamma# coincidence techniques together with excitation functions were employed. Angular distributions and #gamma#-#gamma# angular correlations allowed us to assign the spin values of the nuclear states. The previous level scheme of "5"5Fe is extended into the region between 6.5-11 MeV of excitation energy, up to spin 27/2, while the yrast decay pathos of "5"7Ni and "5"5Co are reported here for the first time. Experimental data are fairly well reproduced by Glaudemans' shell model calculations. (orig.).

1989-01-01

256

Comment on fermionic tachyons and Poincare representations

Cu"2"+ ions are alternatively bridged by end-on and asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine). The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method based on the density functional theory. The spin populations have been found to be strongly positive on the Cu"2"+ ions, weakly positive on the terminal nitrogen atoms of the azido groups as well as on the nitrogen atoms of the benzylamine, and feeble on the central nitrogen atoms of the azido groups. Based on the spin distribution obtained from calculation, the ferromagnetic coupling through the azido groups has been analyzed as resulting from a spin delocalization from the Cu"2"+ ions toward the azido groups. But the result also indicates that the spin polarization ...

2005-03-01

257

Comment on ''High-spin-state spectroscopy with the reaction /sup 88/Sr(rho/sub pol/,. pi. /sup -/)/sup 89/Zr''

We extend Winger's work on the wave equations for integer-spin particles to the spinorial case. A recent suggestion that the neutrino might be a fermionic tachyon is examined. We point out that a four-component Dirac equation cannot describe fermionic tachyon. (orig.).

1985-08-15

258

APOD: 2010 September 5 - GRO J1655 40: Evidence for a Spinning...

A Comment on the Letter by M. C. Green et al., Phys. Rev. Lett. 53, 1893 (1984).

1985-03-18

259

APOD: 2006 May 28 - GRO J1655 40: Evidence for a Spinning Black...

Black Hole Credit: April Hobart, CXC Explanation: In the center of a swirling whirlpool of hot gas is likely a beast that has never been seen directly: a black hole....

2011-10-07

260

APOD: 2003 June 1 - GRO J1655 40: Evidence for a Spinning Black...

Black Hole Drawing Credit: A. Hobart, CXC Explanation: In the center of a swirling whirlpool of hot gas is likely a beast that has never been seen directly: a black hole....

2011-10-07

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

261

APOD: 2001 May 8 - GRO J1655 40: Evidence for a Spinning Black...

Black Hole Drawing Credit: A. Hobart, CXC Explanation: In the center of a swirling whirlpool of hot gas is likely a beast that has never been seen directly: a black hole....

2011-10-07

262

A protocol for the production of recombinant spider silk-like proteins for artificial fiber spinning

Black Hole Drawing Credit: A. Hobart, CXC Explanation: In the center of a swirling whirlpool of hot gas is likely a beast that has never been seen directly: a black hole....

2011-10-07

263

A New Spin on Research Translation: The Boston Consensus Conference on Human Biomonitoring

The extreme strength and elasticity of spider silks originate from the modular nature of their repetitive proteins. To exploit such materials and mimic spider silks, comprehensive strategies...Full Text Available

2009-01-01

264

Two-dimensional (half-) integer spin conformal theories with central charge c < 1

BackgroundTranslating research to make it more understandable and effective (research translation) has been declared a priority in environmental health but does not always include...Full Text Available

2009-04-01

265

Trapping of neutral atoms with resonant microwave radiation

A generalized integral representation involving two types of charges is explored to construct correlation functions on the plane for c = 1 - 6/(m(m + 1)) < 1 discrete unitary Virasoro series. The various local operator product algebras emerging contain integer, or half-integer, spin fields along with scalar fields. The examples also include a generalization for arbitrary m of the Z/sub 2/sup -// statistics of the Ising model order-disorder fields.

1988-01-01

266

Towards a realistic model of Fe-Cu-Fe spin valve systems using tight-binding methods

We duscuss a resonant microwave trap for neutral atoms. Because of the long spontaneous radiation time this trap is remarkably different from the optical trap. It also has advantages over static magnetic traps that trap the excited spin state of the lowest electronic level, in that atoms predominantly in the spin ground state can be trapped. We analyze the relaxation-ejection lifetime of atoms in such a trap using the formalism of dressed atomic states. Results are appliedi to atomic hydrogen and the possibility of Bose-Einstein condensation is considered.

1989-05-15

267

Synthesis of polyacrylonitrile (PAN) with different stereoregularity by urea radiation inclusion polymerization and its application to carbon fiber

Full text: Magnetic multilayer materials are becoming technologically important as they provide a more efficient means of magnetic reading and storage through utilisation of their giant magnetoresistance and oscillatory magnetic coupling. This study presents preliminary tight-binding calculations with a view of developing a consistent tight-binding model of `spin valve` Fe-Cu-Fe tri-layer materials. Further work involves using a self-consistent tight-binding approach to obtain a more accurate picture of this system and a better understanding of surface effects at the Fe-Cu interface 1 fig., 4 refs.

1996-12-31

268

Spin Duality on the Neutron (^3He)

Application to carbon fiber started in this Year. In this paper, a spinning and calcination process are explained. Fiber was obtained by wet spinning of the PAN solution. Ten solvents were tested and the results proved that dimethyl sulfoxide (DMSO) was the best solvent. Glycerine was used as a coagulating bath. The thin fiber (10 to 50 denier) was produced under the conditions of about 20wt% concentration at about 110degC. Heat-treat temperature was about 270 to 275degC. The viscosity-tacticity relationship and T{sub sol} vs. inverse tacticity were shown in the paper. (S.Y.)

1998-01-01

269

Quark-hadron duality in structure functions

Thomas Jefferson National Accelerator Facility experiment E01-012 measured the 3He spin structure functions and virtual photon asymmetries in the resonance region in the momentum transfer range 1.0 < Q2 < 4.0 (GeV/c)2. Our date, when compared with existing deep inelastic scattering data, can be used to test quark-hadron duality in g1 and A1 for 3He and the neutron. Preliminary results for A{sub 1}{sup {sup 3}He} are presented, as well as some details about the experiment.

2007-02-01

270

Quantum mechanics of spin-1/2 tachyons

I review recent developments in quark-hadron duality in inclusive electron-nucleon scattering. Matrix elements of twist-4 operators extracted from moments of the spin-dependent g1 structure function suggest that duality violating higher twists are small above Q2 {approx} 1 GeV2. The x dependence of local duality is analyzed within a quark model framework, and mechanisms are identified for spin-flavor symmetry breaking which underpin the behavior of structure functions at large x.

2004-10-01

271

Nuclear tetrahedral configurations at spin zero

The wave equation for spin;1/2 tachyons is derived from the Dirac equation and the principle of relativity extended to superluminal Lorentz frames. From this wave equation and the Dirac equation infinite velocity spinor transformations are obtained. They yield bispinors of the plane-wave states of the tachyon, their interpretation and covariant orthogonality relations satisfied by them. The transformation properties of the bispinors under Lorentz transformation are discussed. The boundary conditions for the free propagator of wave functions of tachyons are obtained and the propagator is constructed. Then the covariant S-matrix for scattering from an electromagnetic field is derived. It is applied to the scattering of electron-tachyons from the Coulomb field.

272

Fragmentation and ion-molecule reaction of diethylmercury radical cations: an ESR study in irradiated frozen freon matrices and spin trapping in liquid phase

The possibility of the existence of stable tetrahedral deformations at spin zero is investigated using the Skyrme-HFBCS approach and the generator coordinate method (GCM). The study is limited to nuclei in which the tetrahedral mode has been predicted to be favored on the basis of non self-consistent models. Our results indicate that a clear identification of tetrahedral deformations is unlikely as they are strongly mixed with the axial octupole mode. However, the excitation energies related to the tetrahedral mode are systematically lower than those of the axial octupole mode in all the nuclei included in this study.

2008-01-01

273

Extended conformal algebras with N=1 supersymmetry

The mono- and intramolecular cation-radicals (CR) reactions of diethylmercury in the CFCl_3, CFCl_2CF_2Cl matrices and CF_2BrCF_2Br and CFCl_3 freons vitrified mixture (1:1) were studied through the EPR method. Formation of radical products of transformations of the initial CR diethylmercury (X-ray radiation dose - 100-200 Gy at the temperature of 293 K) was studied through the spin trap of 2.4.6 - tri-tret-butylnitrosebenzene.

274

Evolution of the white dwarf mass and spin in cataclysmic variables

Extended conformal algebras with supersymmetry (super-W/sub n/ algebra) is constructed and the algebras are shown to exist for special values of the central charge c. The super-W/sub n/ algebra containing currents of spin (5/2, 3) has a unitary representation (c=10/7) and a non-unitary one (c=-5/2), and the super-W/sub n/ algebra containing currents of spins (2, 5/2) has a non-unitary representation (c=-6/5).

1988-12-29

275

Effect of 9. 6-GHz pulsed microwaves on the orb web spinning ability of the cross spider (Araneus diadematus)

We consider the spin-up of the white dwarf in non-magnetic cataclysmic variables (CVs) during secular evolution. If this is unresisted, CVs are quenched as boundary-layer emitters once the binary period has decreased by #approx# 1 hr. Angular momentum loss in nova explosions may, however, prevent the star reaching breakup. If the explosions remove (1 + #epsilon#) x the mass accreted between outbursts, values 0.5 < #approx# #epsilon# < #approx# 1 allow CVs to be modest boundary-layer emitters for most of their lifetimes. Spectral effects will limit their detection as soft X-ray sources. (author).

276

Depolarization in the SLC collider arcs

Eight cross spiders (Araneus diadematus) were exposed overnight (16 h) during web-building activity to pulsed 9.6-GHz microwaves at average power densities of 10, 1, and 0.1 mW/sq. cm. (estimated SARs 40, 4, and 0.4 mW/g). Under these conditions, 9.6-GHz pulsed microwaves did not affect the web-spinning ability of the cross spider.

1986-01-01

277

Adsorption of ammonia and pyridine on copper(II)-doped magnesium-exchanged smectite clays studied by electron spin resonance

In the 1993 running cycle of the Stanford Linear Collider electron spin polarization measurements with a Moller polarimeter at the end of the linac and a Compton polarimeter near the interaction point (IP) indicated a relative polarization loss of up to 20% across the arc. We present calculations of the depolarizing effects where variations in energy, energy spread and transverse emittance as well as changes in orbit and initial spin orientation are taken into account. We compare our results with measurements and conclude that, in standard operating conditions, the relative polarization loss is only 3+/-2%.

1994-06-27

278

Tertiary structure prediction of C-peptide of ribonuclease A by multicanonical algorithm

The interaction between N-donor adsorbates such as ammonia and pyridine with Cu(II)-exchanged montmorillonite, beidellite, flourohectorite into smectite clays has been studied by electron spin resonance. Cu(II) cations exchanged into smectites coordinate five ammonia or pyridine molecules in beidellite, four ammonia of pyridine molecules in hydroxyhectorite. Thus, the Cu(II) cations bound to the interior surfaces of these smectite clays constitute strong Lewis acid sites. 26 refs., 7 figs., 1 tab.

1993-01-14

279

Synthesis, characterization and antitumor activity study of some cyclometalated organoplatinum(II) complexes containing aromatic N-donor ligands

We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The lowest-energy ...

1998-01-01

280

British Library Electronic Table of Contents (United Kingdom)

A general approach has been designed to synthesize some mononuclear and binuclear cyclometalated platinum(II) complexes, containing aromatic N-donor ligands with the presence of one Cl- trans to carbon. In this way, cyclometalated platinum(II) complex [Pt(C^N)Cl(dmso)], 1, C^N = N(1),C(2prime)-chelated, deprotonated 2-phenylpyridine and dmso = dimethylsulfoxide, was used as a precursor to react with imidazole derivatives (1-methylimidazole, 2a, imidazole, 2b,), monodentate pyridine derivatives (4-methylpyridine, 2c, pyridine, 2d,) and bidentate pyridine derivative (4,4prime-bipyridine, 3 and 4,). Synthesized complexes were fully characterized by using multinuclear NMR spectroscopy (1H, 13C{1H} and 195Pt), correlation NMR spectroscopy (1H-1H COSY, 13C{1H}-1H Heteronuclear Multiple Quantum C...

2011-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

281

Synthesis of Poly (D L-lactide-co-dl-3,6 dimethyl-morpholine, 2,5 - dione)

Structural studies of the O-antigenic polysaccharide from Escherichia coli O177

Polypeptides, copolymers of #alpha#-amino acids and #alpha#-hydroxy acids, could prove to be a valuable new class of synthetic biodegradable polymers. In this paper. steps in synthesis of poly (dl-lactide-co-3, 6-dimethylmorpholine-2,5-dione) from dl-lactide and dl-3,6-dimethylmorpholine-2,5-dione was explained. dl-Lactide was synthesized from lactic acid. In the reaction of 2-bromopropionyl chloride and dl-alanine, N-(2-bromopropionyl)-dl-alanine was prepared and this material was converted to its salt and finally this salt was converted to 3,6-dimethylmorpholine-2,5-dione in a sublime r. These two monomers, that is d l-lactide and dl-3,6-dimethylmorpholine-2,5-dione was polymerized by ring-opening polymerization. F T-IR, "1H NMR, "1"3C NMR Spectra were used for structure elucidation of all intermediate compounds and final product.

2001-09-01

282

British Library Electronic Table of Contents (United Kingdom)

The structure of the O-antigen polysaccharide (PS) from Escherichia coli O177 has been determined. Component analysis together with 1H and 13C NMR spectroscopy experiments was used to determine the structure. Inter-residue correlations were determined by 1H,13C-heteronuclear multiple-bond correlation and 1H,1H-NOESY experiments. PS is composed of tetrasaccharide repeating units with the following structure: 2)-a-l-Rhap-(13)-a-l-FucpNAc-(13)-a-l-FucpNAc-(13)-b-d-GlcpNAc-(1 An a-l-Rhap residue is suggested to be present at the terminal part of the polysaccharide, which on average is composed of 20 repeating units, since the 1H and 13C chemical shifts of an a-linked rhamnopyranosyl group could be assigned by a combination of 2D NMR spectra. Consequently, the biological repeating unit has a 3-...

2011-01-01

283

Stereospecific ligands and their complexes. Part VII. Synthesis, characterization and in vitro antitumoral activity of platinum(II) complexes with O,Oprime-dialkyl esters of (S,S)-ethylenediamine-N,Nprime-di-2-(4-methyl)pentanoic acid

British Library Electronic Table of Contents (United Kingdom)

Platinum(II) complexes (1-4) with bidentate N,Nprime-ligands, O,Oprime-dialkyl esters (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), of (S,S)-ethylenediamine-N,Nprime-di-2-(4-methyl)pentanoic acid were synthesized and characterized by IR, 1H NMR and 13C NMR spectroscopy and elemental analysis. DFT calculations were performed for the complexes and it was found that only one diastereoisomer could be formed. Cytotoxic activity of complexes 1-4 was determined against chronic lymphocytic leukemia cells (CLL) and compared to the activity of ligand precursors L12HCl-L42HCl and corresponding palladium(II) complexes, [PdCl2L] (L = L1-L4). The complexes were found to exhibit significantly higher antitumor activities than cisplatin on CLL cells. Cytotoxic effect of platinum(II) complexes on CLL cel...

2011-01-01

284

Recognition and Detoxification of the Insecticide DDT by Drosophila melanogaster Glutathione S-Transferase D1

Pressure effect of the /sup 1/H NMR spectra of organic compounds in the presence of lanthanide shift reagents. A formally associative process characterized by volume expansion

GSTD1 is one of several insect glutathione S-transferases capable of metabolizing the insecticide DDT. Here we use crystallography and NMR to elucidate the binding of DDT and glutathione to GSTD1. The crystal structure of Drosophila melanogaster GSTD1 has been determined to 1.1 {angstrom} resolution, which reveals that the enzyme adopts the canonical GST fold but with a partially occluded active site caused by the packing of a C-terminal helix against one wall of the binding site for substrates. This helix would need to unwind or be displaced to enable catalysis. When the C-terminal helix is removed from the model of the crystal structure, DDT can be computationally docked into the active site in an orientation favoring catalysis. Two-dimensional {sup 1}H,{sup 15}N heteronuclear single-quantum coherence NMR experiments of GSTD1 indicate that conformational changes occur upon glutathione and DDT binding and the residues that broaden upon DDT ...

2010-06-14

285

Pozzolanic behaviour of compound-activated red mud-coal gangue mixture

Following the successful application of hydrostatic pressure in mechanistic investigations of organic reactions, chemists have launched a vigorous effort to apply this tool to substitution reactions of coordination compounds. The authors began to study pressure effects in the NMR spectra of keton-lanthanide combination with the hope that the increase shifts anticipated might enhance the utility of the method, perhaps even expand its applicability to new classes of compounds. 5-Phenyl- and 5-tert-butyladamantan-2-one, piperidine, tetrahydrofuran, and cyclopentanol exhibited pressure-reduced lanthanide-induced shifts with Eu(fod)/sub 3/; Yb(fob)/sub 3/ and the shielding reagent Pr(fod)/sub 3/ showed the same effect with adamantanone. Solvent variations (CD/sub 2/Cl/sub 2/, CCl/sub 4/) caused minor changes in the magnitude of these shifts but did not reverse any. With the objective of learning whether these effects are due to a suppressed equilibrium population or to ...

1987-11-11

286

Pozzolanic behaviour of compound-activated red mud-coal gangue mixture

The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and {sup 27}Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue-lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud coal gangue-lime systems at ambient temperature are essentially aluminous C-S-H and Ca{sub 3}Al{sub 2}O{sub 6} center dot xH{sub 2}O. From TG analysis results, it is thought that the high amount of Ca(OH){sub 2} in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest. {sup 27}Al MAS NMR proved to be an effective technique to obtain valuable ...

2011-03-15

287

Novel recombinant insulin analogue with flexible C-terminus in B chain. NMR structure of biosynthetic engineered A22^G-B31^K-B32^R human insulin monomer in water/acetonitrile solution

The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and 27Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue - lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud-coal gangue - lime systems at ambient temperature are essentially aluminous C-S-H and Ca3Al2O6.xH2O. From TG analysis results, it is thought that the high amount of Ca(OH)2 in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest, 27Al MAS NMR proved to be an effective technique to obtain valuable information of Al[4] in C-S-H and Al[6] in ...

2011-03-01

288

British Library Electronic Table of Contents (United Kingdom)

A tertiary structure of recombinant A22^G-B31^K-B32^R-human insulin monomer (insulin GKR) has been characterized by ^1H, ^1^3C NMR at natural isotopic abundance using NOESY, TOCSY, ^1H/^1^3C-GHSQC, and ^1H/^1^3C-GHSQC-TOCSY spectra. Translational diffusion studies indicate the monomer structure in water/acetonitrile (65/35vol.%). CSI analysis confirms existence of secondary structure motifs present in human insulin standard (HIS). Both techniques allow to establish that in this solvent recombinant insulin GKR exists as a monomer. Starting from structures calculated by the program CYANA, two different refinement protocols used molecular dynamics simulated annealing with the program AMBER; in vacuum (AMBER_VC), and including a generalized Born solvent model (AMBER_GB). From these calculation...

2011-01-01

289

Moderately heavy, heavy-fermion compound YbPd_2Si_2 at low temperatures

Moderately heavy, heavy-fermion compound YbPd sub 2 Si sub 2 at low temperatures

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd_2Si_2 are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd_2Si_2, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-T properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple resonant-level model ...

290

In vivo phosphorylation of histones H1 and H5 in calf thymus and chicken erythrocytes as studied by /sup 31/P nuclear magnetic resonance spectroscopy

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

1992-07-01

291

Gd-25 DTPA-MAb, a potential NMR contrast agent for MRI in the xenografted nude mouse: preliminary studies

The /sup 31/P NMR method was first applied to characterize in vivo phosphorylation of H1 and H5 in calf thymus and chicken erythrocytes as well as in vitro phosphorylation of H1 and H5 by cAMP-dependent protein kinase. The amino acid residues phosphorylated in vivo in the histones were exclusively serine residues, and the mole fraction of phosphoserine was estimated to be 0.34 and 0.27 per molecule of calf thymus H1 and chicken erythrocyte H5, respectively. Interestingly, chicken erythrocyte H1 was not phosphorylated in vivo. Three H1 subtypes from calf thymus H1 varied in the /sup 31/P NMR spectra, and the bisected fragments of calf thymus H1 and chicken erythrocyte H5 exhibited characteristic spectral patterns, indicating that there are considerable diversities of the degree of phosphorylation and phosphorylation sites in very-lysine-rich histones. Furthermore, it was found that the microenvironment of phosphoserine residues phosphorylated in ...

1987-08-01

292

Effect of external pH on the cytoplasmic and vacuolar pHs in Mung bean root-tip cells. A T P nuclear magnetic resonance study

Monoclonal antibodies (MAbs) 19-9 and 73-3 specific for human colon adenocarcinoma were labelled with a high number of gadolinium atoms. Twenty five DTPA were chelated per MAb, with only slight loss of immunoreactivity. The NMR contrast agent Gd-25 DTPA-MAb 19-9 or 73-3 ((Gd) 17 mumole/kg, (MAb) 60 microM) was injected into nude mice bearing human colon adenocarcinoma (SW948). Tumors were removed 24 hr after injection and T1 was measured in vitro. T1 relaxation time varied according to MAb specificity against tumour targets; T1 decreased 20% for MAb 19-9 and MAb 73-3 with SW948 tumor. Imaging was performed with this model. Very good contrast was obtained 24 hr after Gd-25 DTPA-MAb injection.

1988-01-01

293

Effect of external pH on the cytoplasmic and vacuolar pHs in Mung bean root-tip cells

The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the T P nuclear magnetic resonance (NMR) method. The T P NMR spectra showed three peaks caused by cytoplasmic G-6-P, cytoplasmic Psub(i) and vacuolar Psub(i). The cytoplasmic and vacuolar pHs could be determined by comparing the Psub(i) chemical shifts with the titration curve. When the external pH was changed over a range from pH 3 to 10, the cytoplasmic pH showed smaller changes than the vacuolar pH, suggesting that the former is regulated more strictly than the latter. The H -ATPase inhibitor, DCCD, caused the breakdown of the mechanism that regulates the intracellular pH. H -ATPase appears to have an important part in the regulation of the intracellular pH.

1984-12-01

294

Constituents of fruit pulp of Maytenus salicifolia and complete 1D/2D NMR data of 3?-hydroxy-D:B-friedo-olean-5-ene

The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the "3"1P nuclear magnetic resonance (NMR) method. The "3"1P NMR spectra showed three peaks caused by cytoplasmic G-6-P, cytoplasmic Psub(i) and vacuolar Psub(i). The cytoplasmic and vacuolar pHs could be determined by comparing the Psub(i) chemical shifts with the titration curve. When the external pH was changed over a range from pH 3 to 10, the cytoplasmic pH showed smaller changes than the vacuolar pH, suggesting that the former is regulated more strictly than the latter. The H"+-ATPase inhibitor, DCCD, caused the breakdown of the mechanism that regulates the intracellular pH. H"+-ATPase appears to have an important part in the regulation of the intracellular pH. (author).

295

British Library Electronic Table of Contents (United Kingdom)

A mixture of long-chain hydrocarbons constituted by nonacosane (29C, 7.5%), hentriacontane (31C, 48.3%), and tritriacontane (33C, 30.1%), the ester 1?-acetyloxymethylpentacosa-20?-enyl 10-hydroxydecanoate (2), ?-amyrin (3), friedelin (4), and lupeol (5), and 3?-hydroxy-D:B-friedo-olean-5-ene (6) were identified as constituents of fruits of Maytenus salicifolia Reissek (Celastraceae). The structural formula and the stereochemistry of compound 6 were established by the data obtained through 1H and 13C NMR spectroscopy, including DEPT-135 and 2D (HMQC, HMBC, and NOESY) experiments. By analysis of the spectral data, it was possible to correct seven chemical shift assignments of compound 6, which were erroneous attributed and published in the scientific literature.

2010-01-01

296

Clinical trial of NMR-CT, (4). Clinical evaluation of hybrid image

Characterization of proton exchange membrane materials for fuel cells by solid state nuclear magnetic resonance

In our evaluation we utilized the Asahi Mark-J NMR-CT system, with a resistive vertical quadrupolar electromagnet (0.1 Tesla) and a proton resonance frequency of 4.5 MHz. Our main imaging methods are the inversion-recovery or IR, saturation-recovery, or SR, and calculated T/sub 1/. Difference, or D images, constructed by subtracting the data of the IR signal from that of the SR signal, have also been obtained in some cases. The system allows averaging of raw data. Hybrid images were constructed from two or more images to obtain clear definition of areas of interest. By using the hybrid image, several tissues of different relaxation times can be shown in the same image. Application in our study of the newly developed hybrid image indicates its importance in the detection and diagnosis of lesion, especially the detection of the differentiation of an edematous lesion from a tumor, and also abnormal fluid collection such as the pleural effusion or ascites. We hope that ...

1985-01-01

297

Synthesis and characterization of nickel(II), chromium(III), cobalt(II), copper(II), zinc(II), and cadmium(II) complexes with isatin- isonicotinoylhydrazone

Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the normal hydration ...

2010-03-15

298

Syntheses and phosphorus-31 NMR studies of five-coordinate platinum(II) complexes of tris(2-(diphenylphosphino)ethyl)phosphine and monodentate phosphorus ligands

A few metal complexes of isatin-isonicotinoylhydrazone with Ni(II), Cr(III), Co(II), Cu(II), Zn(II) and Cd(II) have been prepared and characterized on the basis of elemental analyses, infrared and electronic spectra as well as "1H NMR spectra, conductivity and magnetic measurements. In view of the results obtained, it has been found that two molecules of isatin-isonicotinoylhydrazone are chelated to the central metal ion as bis-uninegative ONO tridentate ligand forming non-electrolytic octahedral metal complexes. (author)

1997-03-01

299

Radiation induced synthesis of low molecular weight of PTFE and their crosslinking in acetone medium

The first preparation and characterization of the platinum (II) complexes containing five phosphorus ligands are reported herein. The complexes are represented by the formulae (Pt(PP/sub 3/)(P(OR)/sub 3/)Cl/sub 2/, where R = Me or Et, and (Pt(PP/sub 3/)(PEt/sub 3/))Cl/sub 2/. The /sup 31/P spectra of the complexes are presented. 10 references, 2 tables.

1987-12-02

300

Osmoregulation in methanogens. Progress report, May 15, 1991--January 15, 1993

Polytetrafluoroethylene was obtained by radiation induced polymerization of tetrafluoroethylene in acetone at 195 K. An average diameter of the products was very small compared with commercial one; it was about 0.3 micro-meters. The yield was reached to 100% with a dose of 4 kGy. The crystallinity of the products is decreasing with increasing dose. The products become amorphous, for higher irradiation doses. It was found that PTFE obtained by irradiation of TFE in acetone at 195 K has branching structure. This was demonstrated by means of "1"9F MAS NMR. (Author)

2007-09-03

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

301

Osmoregulation in methanogens

Our major goal of our work has been to develop and use NMR techniques to study how methanogenic archaebacteria deal with osmotic stress with the hope of providing insights into increasing the salt tolerance of other cells. The project has three main sections: (i) in vivo studies of methanogens; (ii) use of {sup l3}C- and {sup l5}N- labeled potential precursors and in vitro analyses of specific label uptake for elucidation of osmolyte dynamics and biosynthetic pathways of osmolytes in these organisms, and isolation of key biosynthetic enzymes; and (iii) collaborative studies on identification of organic solutes in other methanogens.

1993-01-01

302

Orthophosphoric acid interactions with ultrastable zeolite Y: Infrared and NMR studies

Our major goal of our work has been to develop and use NMR techniques to study how methanogenic archaebacteria deal with osmotic stress with the hope of providing insights into increasing the salt tolerance of other cells. The project has three main sections: (i) in vivo studies of methanogens; (ii) use of [sup l3]C- and [sup l5]N- labeled potential precursors and in vitro analyses of specific label uptake for elucidation of osmolyte dynamics and biosynthetic pathways of osmolytes in these organisms, and isolation of key biosynthetic enzymes; and (iii) collaborative studies on identification of organic solutes in other methanogens.

1993-01-01

303

Nuclear magnetic resonance on oriented XVTa and XXTa

Zeolite Y is the active component of most commercial cracking catalysts. Interaction of H[sub 3]PO[sub 4] with extraframework aluminum of ultra-stable zeolite (USY) leads to the formation of different types of aluminum phosphates, while there is no indication of the formation of SAPO zeotype structures. The total acidity of USY slightly decreases upon the H[sub 3]PO[sub 4] treatment, while the maximum in the distribution of acid strength is shifted to milder acidities. Dealumination of the zeolite and creation of POH sites associated with AIPO[sub 4] are responsible for the modifications observed. 37 refs., 8 figs., 3 tabs.

1994-01-01

304

Nuclear magnetic moments of "1"7"5Ta and "1"7"7Ta

XVTa and XXTa nuclei were oriented at low temperature as dilute impurities in Fe. The magnetic hyperfine splitting frequencies = B sub(HF)/Ih of the XVTa and XXTa ground states have been measured to be 320.45(11) and 317.552(55) MHz by using the technique of NMR-ON. Taking the known hyperfine field of Y Ta in Fe, the magnetic moments have been deduced: ( XVTa, 7/2 ) =2.270(45) and ( XXTa, 7/2 ) =2.250(45) sub(N). These values of the magnetic moments are discussed in the framework of the rotational model.

1984-08-01

305

Mechanism of the metal-mediated carbalkoxylation of vinyl electrophiles. 2. Preparation, molecular structure, and reductive couplings of {sigma}-alkoxycarbonyl {sigma}-vinyl platinum(II) complexes

"1"7"5Ta and "1"7"7Ta nuclei as dilute impurities in Fe were oriented at low temperatures. Using the technique of NMR/ON the magnetic moments have been measured: "+#mu#("1"7"5Ta, 7/2"+,"+=2.270(45) #mu# sub(N) and "+#mu#("1"7"5Ta, 7/2"+)"+=2.250(45) #mu# sub(N). These values are discussed in the framework of the rotational model. (author).

306

Effect of Cl substituent in the aromatic tetracycline ring on its reactivity with solvated electrons

The authors continued their efforts in studying the mechanism of carbalkoxylation of {sigma}-vinyls bound to platinum(II). In this work, the focus was specifically on the reductive elimination of {alpha},{beta}-unsaturated carboxylic esters form the carbonylated, alkoylated intermediates. Crystal structures of the carbonylated (12) and alkoxylated (13) intermediates were reported. Kinetic and NMR studies indicate that reductive elimination proceeds via a preequilibration involving phosphine dissociation, followed by a rate-determining trans-cis isomerization. 35 refs., 3 figs., 5 tabs.

1992-03-01

307

Design of intelligent nucleobases and DNA HOMO mapping.

Decomposition yields of tetracycline hydrochloride (TC.HCl) and chlorotetracycline hydrochloride (ClTC.HCl) in methanol solution saturated with Ar or N/sub 2/O were determined. Rate constants of the reaction esub(s)/sup -/ with some antibiotics were obtained. It was demonstrated by /sup 1/H NMR that the radical formed by degradation of 7-C-Cl group is recombined with the H atoms leading to ClTC.HCl being converted into tetracycline hydrochloride (TC.HCl).

1984-09-18

308

Continuous coal hydrogenation; processes and products, annual report July 1981 to June 1982

We have designed a new nucleobase, benzodeazaadenine (BDA) that has a stronger charge transport ability than guanine and is not destroyed during charge transport process. By incorporating this new nucleobase into DNA, we demonstrated a protocol for real DNA nano-wire that is far superior to natural DNA. We also demonstrated that the selectivity for the interaction of Mn(II) ion with guanine N7 in G runs is a HOMO-controlled process, and as a consequence, the selectivity for G-metal ion interactions obtained by 15N-NMR studies would directly reflect the HOMO distribution of G-containing sequences in B-DNA. PMID:12903077

2002-01-01

309

Chemical constituents of Galianthe brasiliensis (Spreng.) E.L.Cabral and Bacigalupo (Rubiaceae)

The first stage of the continuous coal hydrogenation unit has been used to test a number of coals with different processing strategies. This work has shown that conversion increases with product recycle, however after the second pass the increase is small but operability of the reactor is considerably improved. A kinetic model for the aromatic saturation of the recycle solvent in the second stage has been developed and will be used in the selection of conditions for oil upgrading processes. New insights into the structural composition of coal derived materials have been made due to the refinement of chromatographic or solubility separation analyses into routine operations and the development of a new technique in NMR spectroscopy.

1982-01-01

310

/sup 18/O isotope effect in carbon-13 nuclear magnetic resonance spectroscopy. Part 8. Oxygen exchange of 2,4,6-trimethylpyrylium cation

This paper describes the chemical constituents isolated from aerial parts of the plant Galianthe brasiliensis. From a methanol extract, the iridoid glycosides asperuloside, deacetylasperuloside, mixture of Z- and E-6-O-p-coumaroylscandoside methyl ester, the triterpene ursolic acid and the steroids stigmasterol, campesterol, b-sitosterol and 3-O-b-glucopyranosyl sitosterol were isolated. The structures of the natural products were identified on the basis of spectral data, including 2D NMR experiments. The antiproliferative properties of the crude methanolic extract were investigated against a series of nine human cancer cell lines. (author)

311

Positioning of the Alzheimer A{beta}(1-40) peptide in SDS micelles using NMR and paramagnetic probes

The rate of the oxygen-exchange reaction in an aqueous solution of a heterocyclic oxygen compound, 2,4,6-trimethylpyrylium perchlorate, was quantitated. The /sup 18/O isotope effect in /sup 13/C NMR spectroscopy affords a direct, continuous, and relatively simple analysis of the reaction and was used to obtain data on the incorporation of /sup 18/O from solvent H/sub 2//sup 18/O into the pyrylium salt. Due to the low solubility of this salt in aqueous solutions, 2,4,6-trimethyl(2-/sup 13/C)pyrylium perchlorate and 2,4,6-trimethyl(2,6-/sup 13/C/sub 2/)pyrylium perchlorate were synthesized to facilitate the acquisition of the data on an NTC-200 spectrometer operating at 50.31 MHz. Upon incorporation of /sup 18/O into the pyrylium salt, the /sup 13/C NMR signal of the directly bonded carbon atom is shifted upfield 0.038 ppm. A /sup 13/C isotope effect is also detected in the doubly /sup 13/C-enriched pyrylium salt where the /sup 13/C ...

1984-12-12

312

Acid/base and hydrogen bonding effects on the proton-coupled electron transfer of quinones and hydroquinones in acetonitrile: Mechanistic investigation by voltammetry, "1H NMR and computation

NMR spectroscopy combined with paramagnetic relaxation agents was used to study the positioning of the 40-residue Alzheimer Amyloid {beta}-peptide A{beta}(1-40) in SDS micelles. 5-Doxyl stearic acid incorporated into the micelle or Mn{sup 2+} ions in the aqueous solvent were used to determine the position of the peptide relative to the micelle geometry. In SDS solvent, the two {alpha}-helices induced in A{beta}(1-40), comprising residues 15-24, and 29-35, respectively, are surrounded by flexible unstructured regions. NMR signals from these unstructured regions are strongly attenuated in the presence of Mn{sup 2+} showing that these regions are positioned mostly outside the micelle. The central helix (residues 15-24) is significantly affected by 5-doxyl stearic acid however somewhat less for residues 16, 20, 22 and 23. This {alpha}-helix therefore resides in the SDS headgroup region with the face with residues 16, 20, 22 and 23 directed away ...

2007-09-15

313

Spin-resolved magnetic studies of focused ion beam etched nano-sized magnetic structures

This report seeks to address the role of hydrogen bonding with Bronsted acids and bases in proton-coupled electron transfer (PCET) as it pertains to concerted or stepwise pathways of quinone (Q) and hydroquinone (QH_2) electrochemistry. This study was performed using a series of techniques that included cyclic voltammetry (CV), digital simulations, computational chemistry and "1H NMR. Hydrogen bonding was inferred by a decrease in diffusion coefficient (D) values measured using a pulsed gradient echo- (PGE-) "1H NMR technique. Changes of 40.8% and 37.9% in D values were only noted after the addition of two equivalents of acetate to 1,4-hydroquinone (1,4-QH_2) and catechol (1,2-QH_2), respectively. In contrast, the D values for the addition of selected amines (pyridine, N,N-diisopropylethylamine and triethylamine) changed only 3.2% on average. Quantum mechanical calculations were conducted to determine the pK_a of all quinoid species to serve as ...

2010-09-01

314

Weak ferromagnets with integer and half-integer spin quantum numbers

Scanning ion microscopy with polarization analysis (SIMPA) is used to study the spin-resolved surface magnetic structure of nano-sized magnetic systems. SIMPA is utilized for in situ topographic and spin-resolved magnetic domain imaging as well as for focused ion beam (FIB) etching of desired structures in magnetic or non-magnetic systems. Ultra-thin Co films are deposited on surfaces of Si(1 0 0) substrates, and ultra-thin, tri-layered, bct Fe(1 0 0)/Mn/bct Fe(1 0 0) wedged magnetic structures are deposited on fcc Pd(1 0 0) substrates. SIMPA experiments clearly show that ion-induced electrons emitted from magnetic surfaces exhibit non-zero electron spin polarization (ESP), whereas electrons emitted from non-magnetic surfaces such as Si and Pd exhibit zero ESP, which can be used to calibrate sputtering rates in situ. We report on new, spin-resolved magnetic microstructures, such as magnetic 'C' states ...

2005-04-01

315

Ultra high field magnetic resonance imaging

Experimental investigations are presented which demonstrate that the weak ferromagnets are special materials of a larger group of magnets which exhibit two magnetic ordering structures. In weak ferromagnets the main order is antiferromagnetic with a small ferromagnetic component existing in addition. On the other hand, materials in which other combinations of the two basic ordering structures coexist are also known. Common to all these non-collinear spin structures is that the moment components of the two magnetic structures are orthogonal. In the weak ferromagnets this orthogonality manifests already in the paramagnetic phase as a crossover from an isotropic to an anisotropic susceptibility with respect to the applied magnetic field: at high temperatures the antiferromagnetic Curie-Weiss law of the total moment is observed while for T->Tc crossover to a second Curie-Weiss law due to the weak ferromagnetic component occurs. For T->Tc the ferromagnetic ...

2005-01-31

316

The Holst Spin Foam Model via Cubulations

Understanding human brain function, brain development and brain dysfunction is one of the great challenges of the twenty first century. Biomedical imaging has now run up against a number of technical constraints that are exposing limits to its potential. In order to overcome the current limits to high-field magnetic resonance cerebral imaging (MRI) and unleash its fullest potential, the Cea has built NeuroSpin, an ultra-high-field neuroimaging facility at its Saclay centre (in the Essonne). NeuroSpin already boasts three fully operational MRI systems. The first is a 3-tesla high-field system and the second is a very-high-field 7-tesla system, both of which are dedicated to clinical studies and investigations in humans, while the third is an ultra-high-field 17.65-tesla system designed for studies on small animals. In 2011, NeuroSpin will be commissioning an 11.7-tesla ultra-high-field system of unprecedented power that is ...

317

Suppression of band crossing in the neutron-rich nuclei {sup 172,173}Yb due to the absence of a static pair field

Spin Foam Models (SFM) are an attempt at a covariant or path integral formulation of canonical Loop Quantum Gravity (LQG). Traditionally, SFM rely on 1. the Plebanski formulation of GR as a constrained BF Theory. 2. simplicial triangulations as a UV regulator and 3. a sum over all triangulations via group field techniques (GFT) in order to get rid off triangulation dependence. Subtle tasks for current SFM are to establish 1. the correct quantum implementation of Plebanski's constraints. 2. the existence of a semiclassical sector implementing additional Regge constraints arising from simplicial triangulations and 3. the physical inner product of LQG via GFT. We propose a new approach which deals with these issues as follows: 1. The simplicity constraints are correctly implemented by starting directly from the Holst action which is also a proper starting point for canonical LQG. 2. Cubulations are chosen rather than triangulations as a regulator. 3. We give a direct ...

2008-01-01

318

Strain enhanced electron spin polarization observed in photoemission from InGaAs

High-spin states in the neutron-rich nuclei {sup 172,173}Yb have been populated in a {sup 170}Er({sup 7}Li,(p,d,t)xn) incomplete-fusion reaction and the emitted {gamma}-radiation was detected with the GASP array. The signature partners of the 7/2{sup +}[633] rotational band of the odd-N {sup 173}Yb isotope have been newly established and were observed up to spin values of (45/2{sup +}) and (43/2{sup +}), respectively. The ground-state band of the even-even nucleus {sup 172}Yb has been observed up to a spin value of (22{sup +}). No band crossings were found in these bands. To explain this observation, it is proposed that the static pair field is absent, considering that the neutron odd-even mass differences reach for these nuclei very small values and that the band crossing is absent in cranked shell modell calculations without pairing. The results indicate, however, that strong dynamic correlations are still present. ...

2005-10-01

319

Radio-frequency optical double-resonance spectrum of SrF: the X/sup 2/. sigma. /sup +/ state

Electron spin polarization in excess of 70% has been observed in photoemission from a 0.1 #mu#m-thick epitaxial layer of In_xGa_1_-_xAs with x #approx# 0.13 grown on a GaAs substrate. Under these conditions, the epitaxial layer is expected to be highly strained by the 0.9% lattice mismatch, as confirmed by x-ray diffractometer measurements of the lattice parameter. The electron polarization and the quantum efficiency have been measured as a function of the excitation photon energy from 1.25 to 2.0 eV. A significant enhancement of the electron polarization occurs in the vicinity of 1.33 eV where the expected strain-induced level splitting permits optical excitation of a single band transition. Measurements made on a control sample of 1.14 #mu#m thickness, significantly larger than the critical thickness for pseudomorphic strain, show no polarization enhancement. These measurements represent the first observation of strain-enhanced electron spin ...

1991-05-06

320

Pulsar Binary Birthrates with Spin-Opening Angle Correlations

The isotropic and anisotropic hyperfine constants of the ground X/sup 2/..sigma../sup +/ state of /sup 88/SrF and /sup 86/SrF are reported. Vibrational and rotational dependences are studied in a Dunham expansion analysis. Furthermore, the vibrational, rotational, and isotopic dependence of the spin-rotation constant is determined. The following values are obtained for X/sup 2/..sigma../sup +/, ..nu.. = 0, in /sup 88/SrF: ..gamma../sub 0/ = 74.79485 MHz, ..gamma../sub 1/ = 5.752 x 10/sup -5/ MHz, ..gamma../sub 2/ = -6.3 x 10/sup -10/ MHz, b/sub 0/ = 97.0834 MHz, b/sub 1/ = -3.300 x 10/sup -4/ MHz, c/sub 0/ = 30.268 MHz, C/sub I/ = 0.00230 MHz, where ..gamma.. is the spin-rotation parameter, b and c are the Frosch and Foley hyperfine parameters, and C/sub I/ is a nuclear spin-rotation correction. 4 figures, 4 tables.

1981-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

321

Optimizing the acquisition time profile for a planar integral measurement system with a spinning slat collimator

Empirical birthrate estimates for pulsar binaries depend on the fraction of sky subtended by the pulsar beam: the pulsar beaming fraction. This fraction depends on both the pulsar's opening angle and the misalignment angle between its spin and magnetic axes. Previous estimates use the average value for only two pulsars, i.e. PSRs B1913+16 and B1534+12. We explore how birthrate predictions depend on assumptions about opening angle and alignment, using empirically-motivated distributions to define an effective beaming correction factor, f_{b,eff}. For most known pulsars, we expect f_{b,eff} to be less than 6. We also calculate f_{b,eff} for PSRs J0737-3039A and J1141-6545, applying the currently available constraints for their beam geometry. Our median posterior birthrate predictions for tight PSR-NS binaries, wide PSR-NS binaries, and tight PSR-WD binaries are 89/Myr, 0.84/Myr, and 34/Myr, respectively. For pulsars with spin period between 10 ms ...

2009-01-01

322

New high-spin isomer and quasiparticle-vibration coupling in "1"8"7Ir

This article considers a hypothetical imaging device with a spinning slat collimator that measures parallel-planar-integral data from an object. This device rotates around the object 180 deg. and stops at N positions uniformly distributed over this 180 deg. . At each stop, the device spins on its own axis 180 deg. and acquires measurements at M positions uniformly distributed over this 180 deg. . For a fixed total imaging time, an optimal distribution of the scanning time among the data measurement locations is searched by a nonlinear programming method: Nelder-Mead's simplex method. The optimal dwell time is approximately proportional to the weighting factor in the backprojector of the reconstruction algorithm. By using an optimal dwell-time profile, the reconstruction signal-to-noise ratio has a gain of 23%-24% for the filtered backprojection algorithm and a gain of 10%-18% for the iterative algorithms, compared with the situation when a ...

2005-09-01

323

Microscopic analysis of the /sup 88/Sr(p,p') reaction at E/sub p/ = 201. 5 MeV

The high-spin structure of the Z=77 nucleus "1"8"7Ir has been studied using the fusion-evaporation reaction "1"8"6W("7Li6n) at a beam energy of 59 MeV. The excitation scheme of this nucleus has been extended by more than 110 new states, including extensions of all previously established rotational bands. The band crossing region of the h_9_/_2 negative-parity yrast band has been revised and new intrinsic high-K states have been identified. In particular, a 29/2"- isomeric state [T_1_/_2=1.8(5)#mu#s] at an excitation energy of 2487 keV has been observed for the first time, and on top of it, a rich level scheme reaching up to spin (59/2"-) and excitation energies around 7 MeV has been established.

2010-05-01

324

Microscopic analysis of the "8"8Sr(p,p') reaction at E_p = 201.5 MeV

Differential cross sections for 201.5 MeV proton scattering form /sup 88/Sr were measured. From the analysis of the elastic data, no unique optical-model potential could be obtained, but the radial moments are well determined. In a macroscopic analysis of the collective states it turns out that if the optical potential and transition potential are chosen consistently, unambiguous potential deformation lengths can be obtained even though the optical potential is not unique. Taking into account the range and density dependence of the underlying effective interaction reliable neutron deformation lengths can be obtained. For inelastic transitions of various character microscopic distorted-wave calculations with a density-dependent interaction based on the Paris potential were performed. The nuclear structure was taken from one broken-pair calculations in a large model space, calibrated by (e,e') data. In general a good description is obtained for states with ...

1988-04-25

325

Magnetic moments of C isotopes studied with antisymmetrized molecular dynamics

Differential cross sections for 201.5 MeV proton scattering form "8"8Sr were measured. From the analysis of the elastic data, no unique optical-model potential could be obtained, but the radial moments are well determined. In a macroscopic analysis of the collective states it turns out that if the optical potential and transition potential are chosen consistently, unambiguous potential deformation lengths can be obtained even though the optical potential is not unique. Taking into account the range and density dependence of the underlying effective interaction reliable neutron deformation lengths can be obtained. For inelastic transitions of various character microscopic distorted-wave calculations with a density-dependent interaction based on the Paris potential were performed. The nuclear structure was taken from one broken-pair calculations in a large model space, calibrated by (e,e') data. In general a good description is obtained for states with spins ranging ...

326

High-spin structure of odd $^{71-81}$Ga isotopes with shell model

We studied the magnetic dipole moments #mu# of even-odd C isotopes, ranging from proton-rich to neutron-rich nuclei, with antisymmetrized molecular dynamics (AMD). The results are in good agreement with the experimental data. In the "9C ground state the total intrinsic spin of the protons is found to be nonzero (S_p#not =#0), which is unusual in even-odd nuclei. The interesting point is that the spin-orbit force breaks slightly the coupling off of intrinsic spins of the even nucleon group in isospin T=3/2 nuclei. This result is consistent with the newly measured #mu# data that, when combined with "9Li data, indicate an unusual left-angle #sigma# right-angle value larger than unity. A #mu# moment -1.05#mu#_N of "1"7C is theoretically predicted. We also show a good reproduction of E2 transition data. copyright 1996 The American Physical Society.

327

Full Spin and Spatial Symmetry Adapted Technique for Correlated Electronic Hamiltonians: Application to an Icosahedral Cluster

The recently measured experimental data of Argonne National Laboratory for high-spin states in neutron-rich $^{71,73,75,77}$Ga isotopes have been interpreted in the framework of large-scale shell model. Calculations have been performed in $f_{5/2}pg_{9/2}$ model space with two recent effective shell model interactions, JUN45 and jj44b. We also predict high-spin states for $^{79,81}$Ga, where very little is known experimentally. The calculated results show that existence of band structure built on top of the 3/2$^-$, 5/2$^-$ and 9/2$^+$ levels in $^{71-77}$Ga. The collective structure reflected in experimental data is not well reproduced in calculated values. The calculated positive parity states in $^{71,73,75}$Ga are higher in energy in comparison to experimental finding, while for $^{77,79}$Ga, the positive parity states are in better agreement. Both the interactions predict, leading configuration of $\\pi(f_{5/2}^3)$ and ...

2011-01-01

328

Free-field representation of the quantum affine algebra U_q(sl_2) and form factors in the higher-spin XXZ model

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space ...

2010-01-01

329

Evaluation of paramagnetic species in coals with iodine doping technique; Yoso tenkaho wo mochiita sekitanchu no jojiseishu no hyoka

We consider the spin-k/2 XXZ model in the antiferromagnetic regime using the free-field realization of the quantum affine algebra U_q(sl_2) of level k. We give a free-field realization of the type-II q-vertex operator, which describes creation and annihilation of physical particles in the model. By taking a trace of the type-I and type-II q-vertex operators over the irreducible highest-weight representation of U_q(sl_2), we also derive an integral formula for form factors in this model. Investigating the structure of poles, we obtain a residue formula for form factors, which is a lattice analog of the higher-spin extension of Smirnov's formula in the massive integrable quantum field theory. This result as well as the quantum deformation of the Knizhnik-Zamolodchikov equation for form factors shows a deep connection in the mathematical structure of the integrable lattice models and the massive integrable quantum field theory. ((orig.)).

1994-12-01

330

Electronic structure and proton spin-lattice relaxation in PdH

Electron paramagnetic resonance (EPR) of coals was considered by using iodine doping technique. Sub-bituminous coal (WA) and bituminous coal (UF) were used to observe EPR spectra using microwaves. With the UF coal, strength of the narrow component of the spectra was found constant regardless of amount of the doped iodine, wherein radicals without interaction with iodine were detected. Strength of the broad component increased with the iodine doping amount, where in deviation of {pi} electrons was detected, which have been generated as a result of interaction between aromatic rings and iodine in the coals. Spin concentration of the WA coal with low coalification degree is constant regardless of the iodine doping amount, and the interaction of the iodine with the aromatic rings was found small. The higher the coalification degree, the more the aromatic ring structure grows, and electron donor capability for the iodine increases. In a system with the entire ...

1996-10-28

331

EPR, optical, infrared and Raman studies of VO"2"+ ions in polyvinylalcohol films

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact that the Fermi-surface geometry is similar. The field-induced conduction-electron ...

332

Continuous and Discrete (Classical) Heisenberg Spin Chain revised

Electron paramagnetic resonance (EPR), optical, infrared and Raman spectral studies have been carried out on vanadyl ions doped in polyvinylalcohol (PVA) films. The spin-Hamiltonian parameters (g and A) and the molecular orbital coefficients (#beta#_2"*"2 and k) have been evaluated. The values of spin-Hamiltonian parameters confirm that the vanadyl ions are present in PVA films as VO"2"+ molecular ions in an octahedral site with a tetragonal compression (C_4_v). The temperature variation EPR studies reveal that the variation of number of spins with temperature is in accordance with Boltzmann law. It is interesting to observe that the variation of susceptibility with temperature obeys Curie-Weiss law. The FT-IR and FT-Raman spectrum exhibits few bands, which are attributed to O-H, C-H, C-C and C-O groups of stretching and bending vibrations. The optical absorption spectrum exhibits two bands, which are assigned to ...

2007-01-15

333

Characterization and nanopatterning of Ni{sub 2}MnIn Heusler films

The Hamiltonian structure of the Classical Heisenberg Spin Chain (CHSC) has been extensively studied by a number of authors. First of all, we mention Faddeev and Thaktadjan that, in their fundamental monograph "Hamiltonian Methods in the Theory of Soliton", elucidate the main properties of both continuous and (semi-)discrete models. An analysis of the su(2) continuous model in the context of the reduction theory for Poisson Nijenhuis manifolds was performed by Magri et al in1985, while through a similar approach a few years later Ragnisco and Santini analyzed the discrete case. In the meantime, among the condensed matter community there was some renewed interest on Potts models, sort of generalized spin chains where the relevant field variable is allowed to take values at the $N^{th}$ roots of unity. The proper theoretical setting for such models, at least at the classical level, would have been the extension to NxN matrices of the approach ...

2006-01-01

334

Bis(acetylacetonato)ruthenium Complexes of Noninnocent 1,2-Dioxolene Ligands: Qualitatively Different Bonding in Relation to Monoimino and Diimino Analogues

The Heusler alloy Ni{sub 2}MnIn is a promising material as spin injector because of its predicted half-metallicity at the interface to InAs. We grow thin films of this Heusler alloy by thermal coevaporation of Nickel and the alloy MnIn. The alloy is grown on Si{sub 3}N{sub 4} membranes and amorphous carbon films for transmission-electron microscopy (TEM) as well as on Si and InAs. The degree of the transport spin polarization of the films grown on Si(100), InAs(100) and in-situ cleaved (110) surfaces of InAs is determined by point-contact Andreev reflection spectroscopy (PCAR). The almost perfect lattice match between InAs and Ni{sub 2}MnIn supports highly oriented growth, as we have proven by electron diffraction under grazing incidence. Lateral spin valves with Heusler electrodes are lithographically defined. In view of the temperature-sensitivity of the optical and electron-beam resists, the samples are grown at ...

2008-07-01

335

British Library Electronic Table of Contents (United Kingdom)

Abstract Coordination compounds [Ru(acac)2(Q)] (acac=acetylacetonate; Q=o-benzoquinone) were prepared as complexes 1 (Q=o-benzoquinone), 2 (Q=3-methoxy-o-benzoquinone), 3 (Q=4-methyl-o-benzoquinone), and 4 (Q=3,5-di-tert-butyl-o-benzoquinone). The structures of 1 and 2 were determined to reveal a RuIII/o-benzosemiquinone formulation, supported by analysis of experimental data (spectroscopy, magnetism of 1) and by DFT calculations. The S=1 ground state calculated for 1 stands in contrast to the spin-paired analogues with arylimino-o-benzosemiquinonato and diimino-o-benzoquinone ligands. The close contacts of about 5.3- possible between semiquinone O atoms of different molecules in the crystal allow for intermolecular spin-spin interactions and an overall complex magnetic behavior. One quasi...

2011-01-01

336

Alignments, additivity, and signature inversion in odd-odd "1"7"0Ta: A comprehensive high-spin study

X-ray magnetic form factor of UTe

High-spin states (I < or approx. 50(#Planck constant#/2#pi#)) of the odd-odd nucleus "1"7"0Ta have been investigated with the "1"2"4Sn("5"1V,5n) reaction. The resolving power of Gammasphere has allowed for the observation of eleven rotational bands (eight of which are new) and over 430 transitions (#approx#350 of which are new) in this nucleus. Many interband transitions have been observed such that the relative spins and excitation energies of the 11 bands have been established. This is an unusual circumstance in an odd-odd study. Configurations have been assigned to most of these bands based upon features such as alignment properties, band crossings, B(M1)/B(E2) ratios, and the additivity of Routhians. A systematic study of the frequency at which normal signature ordering occurs in the #pi#h_9_/_2#nu#i_1_3_/_2 band has been performed and it is found that its trend is opposite to that observed in the #pi#h_1_1_/_2#nu#i_1_3_/_2 bands. A ...

2010-06-01

337

X-ray magnetic form factor of UTe

A measurement of the magnetic form factor of a ferromagnetic actinide compound of UTe with circularly polarized X-rays is reported. The present geometrical configuration of the measurement gives a form factor of L(k)+0.3S(k), where L(k) and S(k) are the form factors of the orbital and the spin magnetic moment, respectively. We have combined the X-ray magnetic form factor with the neutron one which gives L(k)+2S(k) (G. Busch et al.: J. Phys. C 12 (1979) 1391), and have deduced L(k) and S(k) separately. The obtained profiles of L(k) and S(k) show that the orbital and the spin magnetic moments are spatially spread out more than those calculated for a free uranium ion. (author).

1995-07-01

338

What density-functional theory can tell us about the spin-density wave in

A measurement of the magnetic form factor of a ferromagnetic actinide compound of UTe with circularly polarized X-rays is reported. The present geometrical configuration of the measurement gives a form factor of L(k)+0.3S(k), where L(k) and S(k) are the form factors of the orbital and the spin magnetic moment, respectively. We have combined the X-ray magnetic form factor with the neutron one which gives L(k)+2S(k) (G. Busch et al.: J. Phys. C 12 (1979) 1391), and have deduced L(k) and S(k) separately. The obtained profiles of L(k) and S(k) show that the orbital and the spin magnetic moments are spatially spread out more than those calculated for a free uranium ion. (author).

339

Visualization of disturbed flow with spin-echo and cine MR imaging

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

2002-04-01

340

Tunneling magnetoresistance from a symmetry filtering effect

MR images of steady and pulsatile disturbed flow, obtained with use of flow-compensated spin-echo (SE) and cine pulse sequences, revealed excellent flow visualization in three dimensions. Phantoms, built from molds of actual blood vessels, reproduced laminar, disturbed, or turbulent flow. Video recording (VR), performed under conditions equivalent to those of the MR experiments, showed separation zones identical to those seen on SE images. Pulsatile flow studies showed complex patterns of vortical flow on cine images and VR. Varying pulse sequence details changed contrast but not flow patterns. The validation of MR observations by VR has implications for clinical cine imaging and low abnormal signals observed on MR angiograms.

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

341

The lost heat capacity and entropy in the helical magnet MnSi

This paper provides a brief overview of the young, but rapidly growing field of spintronics. Its primary objective is to explain how as electrons tunnel through simple insulators such as MgO, wavefunctions of certain symmetries are preferentially transmitted. This symmetry filtering property can be converted into a spin-filtering property if the insulator is joined epitaxially to a ferromagnetic electrode with the same two-dimensional symmetry parallel to the interface. A second requirement of the ferromagnetic electrodes is that a wavefunction with the preferred symmetry exists in one of the two spin channels but not in the other. These requirements are satisfied for electrons traveling perpendicular to the interface for Fe-MgO-Fe tunnel barriers. This leads to a large change in the resistance when the magnetic moment of one of the electrodes is rotated relative to those of the other electrode. This large tunneling magnetoresistance effect is ...

2008-04-01

342

Study of duality in the transition region at Jlab

We report results of measurements and analysis of the heat capacity of MnSi. The measurements included data collection at a magnetic field of 4T, which suppresses strongly the longitudinal spin fluctuations and the phase transition. To analyze the experimental data, calculations of the phonon spectrum and phonon density of states in MnSi were performed. Inelastic neutron scattering with a polycrystalline sample of MnSi was used to validate the computational results. The combination of the experimental and theoretical data turned out to be decisive in revealing some hidden features of the thermal excitations in MnSi. In particular, the analysis of the available data led conclusively to the existence of a negative contribution to the heat capacity and entropy in MnSi at T>Tc, implying that a specific spin ordering process did occur in the paramagnet phase of MnSi.

2011-03-01

343

Spin-cast carbon films from polyacrylonitrile

Inclusive double spin asymmetries obtained by scattering polarized electrons off polarized protons and deuterons have been analyzed to address the issue of quark-hadron duality in the polarized spin structure functions g^p_1 and g^d_1. A polarized electron beam, solid polarized NH_3 and ND_3 targets and the CEBAF Large Acceptance Spectrometer (CLAS) in Hall B were used to collect the data. The resulting g^p_1 and g^d_1 were averaged over the nucleon resonance energy region (M < W < 2.00 GeV), and three lowest lying resonances individually for tests of global and local duality.

2007-01-01

344

Partial width fluctuation method of determining nuclear level density

Carbon films have been made by a variety of techniques, including evaporation, sputtering, and laser or thermal pyrolysis of organic polymers. Polyacrylonitrile (PAN) is often used as a carbon precursor, since low-temperature thermo-oxidative pretreatment produces a material which can be pyrolyzed without loss of shape. This is the basis for the production of carbon fibers with good mechanical properties. We report here the formation of very thin films of carbon (500 to 1500 A) by pyrolysis of spin-cast PAN. Using this technique, large, conductive films can be made which are sufficiently robust to allow intact lift-off and transfer of the films from one substrate to another. Such films are chemically inert, but can be photolithographically patterned and etched with an oxygen plasma.

1987-01-01

345

One-electron reduction of chloroperoxidase by radiolytically generated electrons

A new method of determining the nuclear level density is presented. This method is based on the statistical analysis of the partial width fluctuations appearing in an excitation function of the radiative proton capture. The method was applied in the case of the /sup 88/Sr(p,..gamma..sub(..omega..))/sup 89/Y and /sup 89/Y(p,..gamma..sub(..omega..))/sup 90/Zr reactions. The density of levels with spin I/sup -/ in /sup 90/Zr and the densities of levels with spins 1/2/sup +/ and 3/2/sup +/ in /sup 89/Y at excitation energies from 10.9 to 11.6 MeV and from 9.3 to 10.8 MeV respectively, were determined with an uncertainty of about 35%.

1982-04-12

346

One-electron reduction of chloroperoxidase by radiolytically generated electrons

Upon irradiation of aqueous ethylene glycol/water solutions of native chloroperoxidase (CPO) with {sup 60}Co-gamma rays at 77K one observes the one-electron reduction of the enzyme active site by radiolytically generated thermolyzed electrons. In the present study the first absorption spectrum of a low-spin ferrous form of CPO is reported which has peaks at 438, 532 and 563 nm, similar to those observed previously for cytochrome P-450. All previously described ferrous forms of CPO are high spin. In order to observe the final results of the CPO reaction with electrons, the spectral changes of native enzyme after room temperature-gamma-irradiation have also been investigated. Evidence of changes is also presented probably connected with disruption of the tertiary structure of enzyme, correlated with decrease of enzyme activity.

1990-05-16

347

On 15-component theory of a charged spin-1 particle with polarizability in Coulomb and Dirac monopole fields

Upon irradiation of aqueous ethylene glycol/water solutions of native chloroperoxidase (CPO) with "6"0Co-gamma rays at 77K one observes the one-electron reduction of the enzyme active site by radiolytically generated thermolyzed electrons. In the present study the first absorption spectrum of a low-spin ferrous form of CPO is reported which has peaks at 438, 532 and 563 nm, similar to those observed previously for cytochrome P-450. All previously described ferrous forms of CPO are high spin. In order to observe the final results of the CPO reaction with electrons, the spectral changes of native enzyme after room temperature-gamma-irradiation have also been investigated. Evidence of changes is also presented probably connected with disruption of the tertiary structure of enzyme, correlated with decrease of enzyme activity.

1990-05-01

348

Observation of strain-enhanced electron-spin polarization in photoemission from InGaAs

The problem of a spin 1 charged particle with electromagnetic polarizability, obeying a generalized 15-component quantum mechanical equation, is investigated in presence of the external Coulomb potential. With the use of the Wigner's functions techniques, separation of variables in the spherical tetrad basis is done and the 15-component radial system is given. It is shown that there exists a class of quantum states for which the additional characteristics, polarizability, does not manifest itself anyhow; at this the energy spectrum of the system coincides with the known spectrum of the scalar particle. For j=0 states, a 2-order differential equation is derived, it contains an additional potential term 1/r^{4}. In analogous approach wave functions the generalized particle are examined in presence of external Dirac monopole field. It is shown that there exists one special state with minimal conserved quantum number j_{min}. It this solution, first, the polarizability ...

2006-01-01

349

Nucleonic versus nuclear spin-isospin polarization. A study of the /sup 48/Ca and /sup 88/Sr M1 form factors

Electron-spin polarization in excess of 70% has been observed in photoemission from a 0.1-#mu#m-thick epitaxial layer of In_xGa_1_-_xAs with x#approx#0.13 grown on a GaAs substrate. Under these conditions, the epitaxial layer is expected to be highly strained by the 0.9% lattice mismatch. The electron polarization and the quantum efficiency have been measured as a function of the excitation photon energy from 1.25 to 2.0 eV. A significant enhancement of the electron polarization occurs in the vicinity of 1.33 eV where the expected strain-induced level splitting permits optical excitation of a single-band transition.

350

Nucleonic versus nuclear spin-isospin polarization

We compare standard nuclear polarization mechanisms, ..delta..-hole-polarization and meson-exchange-current effects in the q-dependent quenching of isovector spin transitions. Calculations are performed for the M1-transition form factors of the 1/sup +/ states in /sup 48/Ca (10.23 MeV) and /sup 88/Sr (3.48 MeV). We obtain a satisfactory description of both form factors if the repulsive part of the residual interaction in the ..delta..-hole channel is of similar strength to that in the nucleon-hole channel. Meson-exchange currents lead to an enhancement of M1 transitions by an amount which is small in general, but sensitive to the particular nuclear state involved. 44 references.

1984-06-04

351

Memory of multiple aging stages above the freezing temperature in the Relaxor ferroelectric PLZT.

We compare standard nuclear polarization mechanisms, #DELTA#-hole-polarization and meson-exchange-current effects in the q-dependent quenching of isovector spin transitions. Calculations are performed for the M1-transition form factors of the 1"+ states in "4"8Ca (10.23 MeV) and "8"8Sr (3.48 MeV). We obtain a satisfactory description of both form factors if the repulsive part of the residual interaction in the #DELTA#-hole channel is of similar strength to that in the nucleon-hole channel. Meson-exchange currents lead to an enhancement of M1 transitions by an amount which is small in general, but sensitive to the particular nuclear state involved. (orig.).

352

Magnetization transfer contrast effect on multislice fast spin echo

The dynamic dielectric susceptibility and the elastic compliance of the relaxor ferroelectric lanthanum lead zirconate titanate (PLZT) 9/65/35 have been measured under different cooling and heating protocols in order to study aging and memory. The memory of multiple aging stages at different temperatures has been found (several dips in the susceptibility curves on heating), as in spin glass systems below the glass transition. Remarkably, in PLZT the memory of several aging stages is retained also above the freezing temperature deduced from the dynamic susceptibilities. The results are discussed in light of the existing models of aging and memory in spin and dipolar glasses. PMID:15447139

2004-08-24

353

Lattice chiral effective field theory with three-body interactions at next-to-next-to-leading order

Magnetization transfer contrast (MTC) on fast spin echo (FSE) images was evaluated in normal brain tissue as well as in brain tumors to better understand contrast of FSE images. On multislice FSE images, attenuation of the signal intensity of brain tissue due to MTC is observed. The rate of MTC (MTR) is obtained by comparing with additional single slice images. The effect of signal attenuation is greater on images with smaller interslice gap, larger number of slices, and longer echo train length. MTR of brain tumors is less than that of normal brain tissue. Among them, meningiomas have relatively high MTR, and cavernous malformation has relatively low MTR. Determination of MTC can be easily specified by obtaining multislice and single slice FSE images, and it may help differentiate brain tumors. (author).

1994-03-01

354

Isomeric states and spin polarization in A approx. 90 nuclei

We consider low-energy nucleons at next-to-next-to-leading order in lattice chiral effective field theory. Three-body interactions first appear at this order, and we discuss several methods for determining three-body interaction coefficients on the lattice. We compute the energy of the triton and low-energy neutron-deuteron scattering phase shifts in the spin-doublet and spin-quartet channels using Luescher's finite-volume method. In the four-nucleon system we calculate the energy of the {alpha}-particle using auxiliary fields and projection Monte Carlo. (orig.)

2009-07-15

355

Highly excited spin-1 states in "8"8Sr by the (#gamma#,#gamma#) reaction

The observed inhibition of M4 transitions in A approx. 90 nuclei has represented a long standing theoretical problem. In particular by calculating first- and second-order configuration mixing contributions to the inhibited M4 lifetimes of /sup 89/Y and /sup 87/Sr, it is found that the first-order perturbative treatment of the residual interaction usually used in shell-model calculations is unjustified in this case. Using random-phase approximation techniques, the renormalization effects of collective (''giant'') M4 resonances in /sup 88/Sr on the low energy M4 transitions in /sup 89/Y and /sup 87/Sr are investigated. It is concluded that the observed retardation of M4 lifetimes in these nuclei is consistent with the manifestation of nuclear spin polarization.

1980-04-01

356

High-spin-state spectroscopy with the reaction /sup 88/Sr(p/sub pol/,. pi. /sup -/)/sup 89/Zr

The resonant scattering of bremsstrahlung #gamma#-rays by a SrCO_3 target has been studied for #gamma#-ray energies of 5-11 MeV. Six #gamma#-transitions of energies between 6-8 MeV, which indicate six resonant states in "8"8Sr, were observed. The relative intensities of the resonantly scattered #gamma#-rays at 125 and 150"0 were found to be compatible only with the assignment of spin 1 to the six states. Radiative widths of the resonant states were deduced. The possibility that these states are components of the giant M1 resonance in "8"8Sr is discussed. (orig.).

357

Fermion-fermion and boson-boson amplitudes: surprising similarities

The pronounced selectivity of near-threshold (p,..pi../sup -/) reactions for high-spin two-particle, one-hole states is exploited, in the first spectroscopic application of a (p,..pi..) reaction, to identify previously unknown 25/2/sup +/ and 21/2/sup +/ (g/sub 9/2/)/sup 3/ states in /sup 89/Zr. Relative cross sections for the two transitions are well reproduced by simple model calculations. The analyzing power for the 25/2/sup +/ state is markedly similar to previous (p/sub pol/,..pi../sup -/) results for two-particle one-hole stretched states in lighter nuclei.

1984-11-12

358

Enhanced inactivation of bacteria by metal-oxide nanoparticles combined with visible light irradiation

Amplitudes for fermion-fermion, boson-boson and fermion-boson interactions are calculated in the second order of perturbation theory in the Lobachevsky space. An essential ingredient of the model is the Weinberg's 2(2j+1)-component formalism for describing a particle of spin j. The boson-boson amplitude is then compared with the two-fermion amplitude obtained long ago by Skachkov on the basis of the Hamiltonian formulation of quantum field theory on the mass hyperboloid, p_0^2 - p^2=M^2, proposed by Kadyshevsky. The parametrization of the amplitudes by means of the momentum transfer in the Lobachevsky space leads to same spin structures in the expressions of T-matrices for the fermion case and the boson case. However, certain differences are found. Possible physical applications are discussed.

2007-01-01

359

British Library Electronic Table of Contents (United Kingdom)

AbstractBackground In recent years nano-metaloxides which easily penetrate into the cells with special interest due to their higher chemical reactivity as compared to that of similar materials in the bulk form. Of particular interest are nano-TiO2 and ZnO, which have been widely used for their bactericidal and anticancerous properties. Purpose The aim of the present study was to examine the bactericidal properties of nano-TiO2 and ZnO combined with visible light on S. aureus and S. epidermitis, known for their high prevalence in infected wounds. Study Using the technique of electron-spin resonance (ESR) coupled with spin trapping, we examined the ability of TiO2 and ZnO nanoparticle suspensions in water to produce reactive oxygen species (ROS) with and without visible light irradiation. Th...

2011-01-01

360

Electronic properties of low temperature microcrystalline silicon carbide prepared by Hot Wire CVD

Effects of intradot electron-electron interaction on the photon-assisted Andreev tunneling through a finite-sized carbon-nanotube system

Microcrystalline silicon carbide ({mu}c-SiC) was prepared at low substrate temperatures using Hot Wire chemical vapor deposition (HWCVD). High crystalline volume fractions were achieved at high hydrogen dilution and high deposition pressure. Without intentional doping, such material shows high dark conductivity and high optical absorption below the band gap. The material prepared at low deposition pressure or low hydrogen dilution, on the other hand, shows much lower conductivity and sub-gap absorption, but high spin densities up to 5 x 10{sup 19} cm{sup -3}. This high absorption can be attributed to free carriers, different to {mu}c-Si:H where a correlation between the sub-gap absorption and the spin density is observed.

2008-01-15

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

361

Designed defects in 2D antidot lattices for quantum information processing

The effects of intradot electron-electron interaction on the photon-assisted Andreev tunneling of a superconductor/carbon-nanotube/superconductor system are studied by using nonequilibrium Green's function technique. The inverse supercurrent reflecting the #pi#-junction transition emerges in the spin-split energy-levels regime polarized by the Coulomb interaction. For the positive tunneling case, the supercurrent reaches its maximum when the spin-degenerate energy-levels are nearest to the Fermi surface. Conversely, for the negative tunneling case, the supercurrent reaches its maximum when two split energy-levels are symmetric with respect of the Fermi surface. The sign and the amplitude of the Andreev tunneling depend distinctly on the energy-level spacing tuned by photon-assisted tunneling. In order to fully understand the transport characteristics, the current-carrying density of states are investigated, which clearly shows the enhancement, ...

2007-01-01

362

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

2008-01-01

363

Crossover of the magnetic levels and adiabatic magnetization of the mesoscopic cluster V15

British Library Electronic Table of Contents (United Kingdom)

The magnetic three spin-1/2 model for nanometer-scale molecular cluster V15 is analyzed with the emphasis on the origin of the mixing of different spin levels in the resonance fields that is generally important for the problem of single molecular magnets. The zero-field splitting in the ground quadruplet (two Formula Not Shown levels) is shown to depend mainly on the normal component of AS exchange meanwhile the zero-field splitting in the excited Formula Not Shown multiplet is a second order effect with respect to in-plane components of AS exchange. The normal component of the AS exchange is shown to lead to the exact crossing of the magnetic sublevels at the arbitrary direction of the field. The positions of two crossing/anticrossing points in the ground manifold depend mainly on the iso...

2006-01-01

364

Competing Shapes And Alignments In Neutron-Rich Hf Nuclei

Bidding strategy for pumped-storage plant in pool-based electricity market

The talk will focus on spin-dependent competition between oblate and prolate shape minima in the potential energy landscape of "1"8"0Hf (the most neutron-rich stable isotope), mediated via the alignment of valence nucleons. Results of a prompt spectroscopic study, using deep inelastic reactions with Gammasphere and CHICO, bombarding a thin "2"3"2Th target with a "1"8"0Hf beam #approx#25% above the Coulomb barrier, will be presented. Nucleon alignments in both prolate and oblate minima will be discussed, as well as the favoring of oblate collective rotation at high spins, observed through a mixing with gamma vibrations built on the prolate shape.

2008-05-12

365

Analytic Thermodynamics and Thermometry of Gaudin-Yang Fermi Gases

This paper develops optimal bidding strategies for a pumped-storage plant in a pool-based electricity market. In the competitive regime, when compared to simple hydroelectric generator, profit of the pumped-storage plant is maximized by operating it as a generator when market clearing price is high and as a pump when the price is low. Based on forecasted hourly market clearing price, a multistage looping algorithm to maximize the profit of a pumped-storage plant is developed, considering both the spinning and non-spinning reserve bids and meeting the technical operating constraints of the plant. The proposed model is adaptive for the nonlinear three-dimensional relationship between the power produced, the energy stored, and the head of the associated reservoir. Different operating cycles for a realistic pumped-storage plant are considered and simulation results are reported and compared. (author)

2010-03-15

366

A polarized neutron reflectometry study of the spin glass freezing in a 29 nm thick AuFe film

We study the thermodynamics of a one-dimensional attractive Fermi gas (the Gaudin-Yang model) with spin imbalance. The exact solution has been known from the thermodynamic Bethe ansatz for decades, but it involves an infinite number of coupled nonlinear integral equations whose physics is difficult to extract. Here the solution is analytically reduced to a simple, powerful set of four algebraic equations. The simplified equations become universal and exact in the experimental regime of strong interaction and relatively low temperature. Using the new formulation, we discuss the qualitative features of finite-temperature crossover and make quantitative predictions on the density profiles in traps. We propose a practical two-stage scheme to achieve accurate thermometry for a trapped spin-imbalanced Fermi gas.

2009-10-02

367

UAl/sub 2/: Fine structure of the f bands

We performed polarized neutron reflectometry (PNR) experiments on a 29 nm thick Au{sub 93}Fe{sub 7} film in a temperature range from 295 K down to 2 K in a vertical magnetic field up to 6 T. These high-field experiments were performed on the C5 spectrometer in Chalk River, Canada, using a split-pair cryomagnet. The magnetization as determined by PNR can be described with a Brillouin function from 295 K down to 50 K assuming the magnetic moment of isolated Fe atoms, i.e. 4{mu}{sub B} per Fe atom. Below 50 K the onset of the spin-glass freezing is observed as a strong deviation from this Brillouin type behavior of isolated atoms.

2007-07-15

368

The triaxial motion in Mo isotopes

The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

1985-08-15

369

The triaxial motion in Mo isotopes

The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of [sup 87]Mo are studied in detail and explained by the evolution of the [gamma]-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N [>=] 47 for the spherical shape of the Mo isotopes. (orig.)

1993-11-22

370

The potential of power fluidics for plant protection

The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of "8"7Mo are studied in detail and explained by the evolution of the #gamma#-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N #>=# 47 for the spherical shape of the Mo isotopes. (orig.).

371

The nucleus {sup 143}Nd attempt on complete spectroscopy

The possibility of using Direct Flow Control (DFC) to avoid catastrophic accidents due to containment breaches in chemical plant is discussed. Recommendations are made for locating fluidic elements, and the effectiveness of simple DFC protection is analysed. More powerful methods of protection are outlined using spin diversion and the complementary properties of fluidic and conventional valves are exploited. (author).

372

The nucleus "1"4"3Nd attempt on complete spectroscopy

The 142Nd and 143Nd nucleus excited states have been studied using the {sup 142,143}Nd(p,p`) and {sup 140}Ce({alpha},n){sup 143}Nd reactions. The energy level schemes were determined as well as spectroscopic information about spin, parity and multipolarity of electromagnetic transitions. 54 refs, 25 figs, 9 tabs.

1991-09-01

373

The market efficiency in the stock markets

The 142Nd and 143Nd nucleus excited states have been studied using the "1"4"2","1"4"3Nd(p,p') and "1"4"0Ce(#alpha#,n)"1"4"3Nd reactions. The energy level schemes were determined as well as spectroscopic information about spin, parity and multipolarity of electromagnetic transitions. 54 refs, 25 figs, 9 tabs.

1991-01-01

374

The impact of fourth-order exchange interactions on the thermal variation of the order parameter

We study the temporal evolution of the market efficiency in the stock markets using the complexity, entropy density, standard deviation, autocorrelation function, and probability distribution of the log return for Standard and Poor's 500 (S&P 500), Nikkei stock average index, and Korean composition stock price index (KOSPI). Based on the microscopic spin model, we also find that these statistical quantities in stock markets depend on the market efficiency.

2007-01-01

375

The formation of counterrotating cores in elliptical galaxies

The thermal decrease of the order parameter can empirically be described by a single T{sup {epsilon}} power law with an exponent {epsilon} which depends on the dimensionality of the magnetic interactions and on whether the spin quantum number is integral or half-integral. We present experimental examples in which the order parameter shows a crossover between different T{sup {epsilon}} power laws as a function of temperature. This indicates that the magnetic interactions can change their dimensionality as a function of temperature. (orig.)

2002-07-01

376

Static-static-light-light tetraquarks in lattice QCD

The mechanism proposed by Kormendy (1984) for the formation of counterrotating cores in elliptical galaxies is investigated using self-consistent numerical simulations of mergers between a high- and a low-luminosity elliptical galaxies. The conditions for a counterrotation to appear are determined, observational properties of the remnants are described, and the evolution of the structural and kinematic parameters of the larger galaxy is analyzed. It is shown that a counterrotation results only when the merging orbits are retrograde, due to a large change in the secondary spin during the merger. 36 refs.

377

Soluble theory of massless scalar two-dimensional QED

I report on a lattice computation of the energy of a system of two light quarks and two static antiquarks as a function of the separation of the static antiquarks. In terms of hadrons such a system corresponds to a pair of B mesons and its energy to the hadronic potential. I present selected results for different isospin, spin and parity combinations of the individual B mesons mainly focusing on those channels relevant to determine, whether two B mesons may form a bound tetraquark state.

2011-01-01

378

Search for magnetic rotation in {sup 202}Pb and {sup 203}Pb

In this Brief Report, we analyze a generalized theory of massless scalar QED{sub 2} and show that, unlike the conventional scalar QED{sub 2}, it is free from infrared divergence problems. The model is exactly soluble and may describe, in a (1+1)-dimensional space-time, noninteracting spin-one tachyons. {copyright} {ital 1999} {ital The American Physical Society}

1999-03-01

379

SM Higgs properties measurement at ATLAS

High-spin states in {sup 202}Pb and {sup 203}Pb have been investigated by in-beam {gamma}-ray spectroscopy following the reaction {sup 198}Pt({sup 9}Be,xn). A search for magnetic rotational bands in these isotopes confirmed one of the two bands previously assigned to {sup 202}Pb and revealed a new band in this isotope. No evidence for magnetic rotation has been found in {sup 203}Pb. (orig.)

2000-11-01

380

Redundancy of the off-shell parameters in chiral effective field theory with explicit spin-3/2 degrees of freedom

The discovery of a new particle in the Higgs searches being prepared for LHC will not guarantee that the Standard Model Higgs boson has been seen. This paper discusses the possibilities for measuring the spin, parity and couplings of the particle, under the assumption that it does in fact behave like the Standard Model Higgs. The key question, which cannot alas be answered, is: if it looks like a dog, and barks like a dog, how much of the DNA must we analyse to be sure that it is a dog?

2009-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

381

Reduction of wave-function which transforms as field associated with spin zero tachyons

In this note we prove to all orders in the small scale expansion that all off-shell parameters which appear in the chiral effective Lagrangian with explicit DELTA(1232) isobar degrees of freedom can be absorbed into redefinitions of certain low-energy constants and are therefore redundant.

2010-01-18

382

Reduction of four-vector field in terms of standard helicity representation of inhomogeneous Lorentz group for imaginary mass system

Reduction of wavefunction which transforms as scalar field imaginary mass system has been derived in terms of irreducible representation of proper, orthochronous, inhomogeneous Lorentz group and it has been shown that only transformation properties of wavefunction are needed in the derivation while the reality condition and wave equations only restrict the number of independent representations. The properties of energy and momentum of tachyons have been analysed and it has been shown that the tachyons are unidirectional in space. (author).

383

Radiation treatment of crude drugs. Development of suitable methods of detection. Strahlenbehandlung von Arzneidrogen. Entwicklung geeigneter Nachweismethoden

The reduction of four-vector and electromagnetic fields produced by spin-1 tachyons has been derived in terms of standard helicity representations of inhomogeneous Lorentz group, and the conditions for these superluminal electromagnetic fields to satisfy the Maxwell's field equations have been derived. 16 refs.

1981-11-01

384

Pair formation in two-electron correlated chains

It may be necessary to reduce microbiological contamination of crude drugs (medicinal plants or their parts like roots, leaves, flowers). This can be done by treating the drugs with ionizing radiation. Meethods for detection of such an irradiation were developed. It could be pointed out that measurements of luminescence, viscosity and electron spin resonance were suitable for specific drugs, but not for all drugs. (orig.).

1992-09-01

385

Optimization of soft magnetic properties in Fe-B and Fe-B-Si amorphous alloys obtained by melt spinning method

We study two correlated electrons in a nearest-neighbour tight-binding chain, with both on-site and nearest-neighbour interaction. Both the cases of parallel and antiparallel spin are considered. In addition to the free electron band for two electrons, there are correlated bands with positive or negative energy, depending on whether the interaction parameters are repulsive or attractive. Electrons form bound states, with amplitudes that decay exponentially with separation. Conditions for such states to be filled at low temperatures are discussed.

2003-05-21

386

Observations of time delayed all-optical routing in a slow light regime

In the present paper the progress of optimization of soft magnetic properties have been studied by applying different experimental techniques (magnetic measurements, electric measurements, X-ray analysis, and high-resolution electron microscopy observation). It has been shown that an increase in magnetic permeability after optimization annealing can be mainly attributed to annealing out of microvoids. (author)

2001-09-23

387

Nuclear magnetic resonance and the question of 5f electron localization in the actinides

We report an observation of a delayed all-optical routing/switching phenomenon based on ultraslow group velocity of light via nondegenerate four-wave mixing processes in a defected solid medium. Unlike previous demonstrations of enhanced four-wave mixing processes using the slow light effects, the present observation demonstrates a direct retrieval of the resonant Raman-pulse excited spin coherence into photon coherence through coherence conversion processes.

2008-01-01

388

Nuclear magnetic resonance and the question of 5F electron localization in the actinides

Nuclear magnetic resonance results are presented for a number of NaCl-type compounds and cubic Laves-phase type compounds of uranium, neptunium, and plutonium. Special emphasis is placed on the Knight shift and spin-lattice relaxation time measurements and their interpretation in terms of localized or itinerant pictures of the 5f electrons. (author).

389

Modulation of the axial water hydrogen-bonding properties by chemical modification of the substrate in resting state, substrate-bound heme oxygenase from Neisseria meningitidis; Coupling to the distal H-bond network via ordered water molecules

Nuclear magnetic resonance results are presented for a number of NaCl-type compounds and cubic Laves-phase type compounds of uranium, neptunium, and plutonium. Special emphasis is placed on the Knight shift and spin-lattice relaxation time measurements and their interpretation in terms of localized or itinerant pictures of the 5Line integral electrons.

1976-01-01

390

Magnetism of the Ni(110) and Ni(100) surfaces: local-spin-density-functional calculations using the thin-slab linearized augmented-plane-wave method

The hydrogen bonding of ligated water in ferric, high-spin, resting-state substrate complexes of heme oxygenase from Neisseria meningitidis has been systematically perturbed...Full Text Available

2006-05-17

391

Magnetic and transport properties of Ba_2Co_9O_1_4 and Ba_1_._9A_0_._1Co_9O_1_4 (A=La or Na)

Results of self-consistent local-spin-density-functional calculations are reported for the first time for the Ni(110) surface, represented by one-, three-, and five-layer slabs. Calculations for one- and five-layer slabs of Ni(100) are also reported. The behavior of the surface magnetization with varying slab thickness elucidates the nature and origin of the surface magnetic moment. We predict a 13% enhancement of the Ni(110) surface magnetic moment compared to the bulk value. For the Ni(100) surface, we find a smaller surface enhancement about 7%, compared to bulk, which agrees with the results of Jepsen et al. The enhancement of surface magnetic moments on Ni(100) and Ni(110) surfaces is attributed to s-d dehybridization at the surface and to the presence of electrostatic shifts required to maintain layer-by-layer charge neutrality. We find that the total d-electron charge is the same in each layer, which contradicts the sp-to-d charge transfer found by Tersoff ...

392

Light particle emission as a probe of the rotational degrees of freedom in deep-inelastic reactions

The valence and spin-state distributions of Co ions and the complex structure of antiferromagnetic Ba_2Co_9O_1_4 have led to the suggestion that doped Ba_2Co_9O_1_4 compounds may be good thermoelectric materials. We have checked this suggestion by measuring the magnetic properties as well as the transport properties of nominal Ba_1_._9A_0_._1Co_9O_1_4 (A=La or Na). We show that although all compounds are indicated to be single phase by powder X-ray diffraction analysis, they are all p-type polaronic conductors with low mobile-hole concentrations. Magnetic-susceptibility data of the parent and La-doped compounds give evidence of a second magnetic phase with ferromagnetic order setting in below 215 K; but this second phase is not seen in the Na-doped sample. We conclude that the structure is stabilized by oxidation and that cation exolution from the Ba_2Co_9O_1_4 structure creates cation vacancies that oxidize the high-spin (HS) Co(II) to the ...

2010-11-01

393

Isobaric analog resonances in "8"9Y

The emission of #alpha# particles in coincidence with the most deeply inelastic heavy-ion reactions has been studied for "1"8"1Ta + "1"6"5Ho at 1354 MeV laboratory energy and /sup nat/Ag + "8"4Kr at 664 MeV. #alpha# particle energy spectra and angular distributions, in coincidence with a projectile-like fragment, were acquired both in the reaction plane and out of the reaction plane at a fixed in-plane angle. The in-plane data for both systems are employed to show that the bulk of the #alpha# particles in coincidence with the deep-inelastic exit channel can be explained by evaporation from the fully accelerated fragments. Average velocity diagrams, #alpha#-particle energy spectra as a function of angle in several rest frames, and #alpha#-particle angular distributions are presented. The out-of-plane #alpha# particle angular distributions and the #gamma#-ray multiplicities are used to study the transfer and partitioning of angular momentum between the two fragments. For the /sup nat/Ag ...

394

Influencing factors on ESR dose assessment in irradiated chicken legs

Three resonances at the proton energies 7.0, 7.08, and 7.53 MeV on the target "8"8Sr were chosen to investigate the possibility of determining the amplitudes of the weak coupling experimentally. The corresponding "8"9Sr levels under investigation were 1.93 MeV ("5/_2"+), 2.00 MeV ("3/_2"+), and 2.46 MeV ("3/_2"+). Angular distributions were measured on resonance at 7.0, 7.08, and 7.53 MeV from proton inelastic scattering to the 1.84 MeV (2"+) state of "8"8Sr for differential cross section, analyzing power, spin-flip probability, and spin-flip asymmetry. A polarized beam of protons was used to obtain the analyzing power. The spin-flip probability was obtained from the coincidence of the prompt gamma rays from the (p,p'#gamma#) reaction with the scattered protons. With the polarized beam, the gamma coincidence technique was further used to obtain a spin-flip asymmetry measurement. From these measurements, ...

395

Independent Media Center - Brazil | Newswire archive

Electron spin resonance (ESR) dosimetry of irradiated chicken legs is based on the additive dose or the calibration curve methods. In both cases the practical assumption is made that the behaviour of the chicken bone does not depend on factors such as temperature during irradiation, storage conditions and dose rate. So the aim of the present work was to investigate to what extent the above mentioned factors could influence the post-irradiation dose assessment using the ESR technique. (author).

1996-12-31

396

Wastenet

... Research Center, Washington DC May 23 BBC NEws: US used Nuclear Weapons in Afghanistan Jalalabad: New reference levels based on recent samples show uranium levels 45 times normal. New bioassay studies identify uranium internal contamination in Spin Gar (Tora Bora) area and the City ...

397

In a spin over power fluidics

Ghost properties of generalized theories of gravitation

In response to severe maintenance problems caused by the highly corrosive toxic and radioactive substance used in the nuclear reprocessing industry, AEA Technology (formerly the United Kingdom Atomic Energy Authority) has developed a series of power fluidics devices with no moving parts. These maintenance-free devices are described in this article which also explores applications in fields outside their original brief. (UK).

398

Generalized supersymmetry on Riemann surfaces and the associated string models

We investigate theories of gravitation, in which spacetime is non-Riemannian and the metric g/sub munu/ is nonsymmetric, for ghosts and tachyons, using a spin-projection operator formalism. Ghosts are removed not by gauge invariance but by a Lagrange multiplier W/sub ..mu../, which occurs due to the breaking of projective invariance in the theory. Unified theories based on a Lagrangian containing a term lambdag/sup munu/g/sub / are proved to contain ghosts or tachyons.

1982-10-15

399

Five-particle, shell-model calculation using a spin-dependent potential as applied to $sup 101$Tc and the nuclear decays of $sup 101$Mo, $sup 101$Tc, $sup 142$Xe, and $sup 142$Cs

The authors propose a generalization of the concept of supersymmetry non Riemann surfaces. Generators of this symmetry intermix M fields of different spin. Two types of statistics, i.e., bosonic and fermionic statistics, are allowed for parameters of infinitesimal transformations. They also study the possibility of string models associated with these symmetries. The algebraic structure of a part of generalized supersymmetry is regarded as a sort of an M-th root of the Virasoro algebra.

1988-11-01

400

Excited leptons and quarks at #gamma##gamma#/#gamma#e colliders

Thesis. Five-particle shell-model calculations, using a spin-dependent potential, were performed for the nucleus /sup 101/Tc. The effects of varying the single-particle energy differences and the strengths of the spin-dependent and pairing terms are discussed. The isobars /sup 101/Mo and /sup 101/Tc were chemically separated to enable the detailed study of their decay schemes. As a result, 184 gamma rays were observed in the decay of /sup 101/Mo, and 169 of them were assigned to 45 levels in /sup 101/Tc. In the decay of /sup 101/Tc, 27 gamma rays were observed, and 26 of them were assigned to 11 levels in /sup 101/Ru. In a study of the decays of /sup 142/Xe and /sup 142/Cs the TRI STAN on-line isotope separator was used to separate the 142 mass chain produced in /sup 235/U fission with /sup 142/2Xe as the emanating and accelerated nuclide. Isobaric separation of /sup 142/Xe and /sup 142/Cs was achieved with a ...

1974-03-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

401

Evidence for long-lived isomeric states in neutron-deficient /sup 236/Am and /sup 236/Bk nuclei

We discuss the search of excited leptons and quarks with spin 1/2 at #gamma##gamma# and at #gamma#e colliders. We show that #gamma##gamma# colliders have important advantages for the observation of excited leptons and quarks in comparison with ee, ep, and pp colliders discussed in previous papers. These collisions give a simple test for the chirality of the l"*l#gamma# transition. The anomalous magnetic moment of excited leptons can be observed when its value is not too small. (orig.).

402

Energy dependence of the yield of fission isomers in the /sup 241/Am(n,. gamma. ) and /sup 243/Am(n,. gamma. ) reactions

A 5.76 MeV alpha-particle group has been observed in Am and Bk sources separated from a CERN W target. The data are interpreted due to the production of long-lived isomeric states in /sup 236/Am and /sup 236/Bk which decay to /sup 236/Pu. The possibility of high spin states as well as of shape isomeric states is raised.

1987-06-04

403

Effects of strong and electromagnetic correlations on neutrino interactions in dense matter

Ratio of the fissile isomers and prompt fissions yields has been measured in processes of neutron capture by /sup 241/Am and /sup 243/Am nuclei in the neutron energy interval from 0.2 up to 1.3 MeV. The present data and the previous results suggest that the fission Am isomers are spin structure isomers rather than shape isomers.

1984-11-01

404

Conformal field theories via Hamiltonian reduction

An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and ...

1999-05-01

405

Conductance quantization in ferromagnetic Ni nano-constriction

Constraining the SL(3) WZW-model we construct a reduced theory which is invariant with respect to the new chiral algebra W_3"2. This symmetry is generated by the stress-energy tensor, two bosonic currents with spins 3/2 and the U(1) current. We conjecture a Kac formula that describes the highly reducible representation for this algebra. We also discuss the quantum Hamiltonian reduction for the general type of constraints that leads to the new extended conformal algebras. (orig.).

1991-01-01

406

Comparison of turbo inversion recovery magnitude (TIRM) with T2-weighted turbo spin-echo and T1-weighted spin-echo MR imaging in the early diagnosis of acute osteomyelitis in children

The conductance in ferromagnetic Ni nano-wire is quantized in units of 2e{sup 2}/h in the absence of magnetic field, while the units switch to e{sup 2}/h in the magnetic field. The fractional units of 0.7e{sup 2}/h and 1.4e{sup 2}/h with and without magnetic field appear under the application of high bias-voltage. The spin polarization and bias-voltage play an important role in the electric conduction.

2002-02-01

407

Charmonium with three flavors of synamical quarks

Objective. To compare turbo inversion recovery magnitude (TIRM) with standard T1-weighted (T1-W) and T2-weighted (T2-W) MR sequences in the very early detection of acute osteomyelitis in children. Materials and methods. In 15 children with osteomyelitis, 15 sets of T1-W spin-echo (SE) (TR/TE, 400-640/12-17), T2-W turbo spin-echo (TSE) (TR/TE/ETL, 3290-4465/112-120/11), and TIRM (TR/TE/TI, 4000-6120/60/160) images were acquired with a 1.0-T magnet. Contrast-to-noise (C/N) ratios and percentage of signal between lesion and normal bone marrow were analysed with a computer-assisted image analysing system in a region of interest (ROI). Results. In 13 of 15 patients, the absolute signal enhancement in a ROI on the TIRM images was better than on the T1-W SE and T2-W TSE images and in 14 of 15 cases, C/N ratios were also better on the TIRM images than on the other sequences. In the other cases, the TIRM signal was diagnostically equivalent. On the TIRM ...

1998-11-01

408

Calculation of Compton profiles of tantalum and tungsten

We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

2003-12-23

409

Bosonic realization of a universal W-algebra and Z_#infinity# parafermions

Calculations of the Compton profiles for the transition metals Ta and W are performed, using electron wave functions obtained from self-consistent augmented plane wave (APW) band structure calculations within the local density formalism of Hedin-Lundqvist. Relativistic effects are included except for the spin-orbit interaction. The observed structures of the Compton profiles in these metals are understood in terms of the topology of their Fermi surfaces. (author).

410

Bosonic colored group field theory

We construct a field theoretic representation of the universal W-algebra proposed by Pope, Romans and Shen, using a free complex boson in two dimensions. The resulting symmetry algebra is generated by conformal fields with spin 2, 3, 4, ... and has central charge c=2. Highest-weight representations are also given in terms of vertex operators. Furthermore, we discuss the relation of this representation to the theory of Z_#infinity# parafermions. (orig.).

1990-10-01

411

Validation of the GROMOS force-field parameter set 45A3 against nuclear magnetic resonance data of hen egg lysozyme

Bosonic colored group field theory is considered. Focusing first on dimension four, namely the colored Ooguri group field model, the main properties of Feynman graphs are studied. This leads to a theorem on optimal perturbative bounds of Feynman amplitudes in the ''ultraspin'' (large spin) limit. The results are generalized in any dimension. Finally, integrating out two colors we write a new representation, which could be useful for the constructive analysis of this type of models. (orig.)

2010-12-01

412

ent-Rosane and abietane diterpenoids as cancer chemopreventive agents

The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The 45A3 ensemble fulfills the atom-atom distance bounds derived from ...

2004-12-15

413

British Library Electronic Table of Contents (United Kingdom)

Two ent-rosane- (cuzcol, 1 and 6-dehydroxycuzcol, 2) and a abietatriene- (salvadoriol, 3) type diterpenoids have been isolated from Maytenus cuzcoina and Crossopetalum uragoga, respectively, along with five known diterpene compounds (4-8). Their stereostructures have been elucidated on the basis of spectroscopic analysis, including 1D and 2D NMR techniques, and computational data. The absolute configuration of cuzcol was determined by application of Riguera ester procedure. This is the first instance of isolation of ent-rosane diterpenoids from species of the Celastraceae. The isolated diterpenes were found to be potent anti-tumour-promoter agents, and carnosol (7) also showed a remarkable chemopreventive effect in an in vivo two-stage carcinogenesis model.

2011-01-01

414

The use of domestic microwave oven in experimental classes of organic chemistry: salicylaldehyde nitration; O uso de aparelhos de micro-ondas domesticos em aulas experimentais de quimica organica: nitracao de salicilaldeido

Synthesis, Herbicidal Activities and Comparative Molecular Field Analysis Study of Some Novel Triazolinone Derivatives

The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position isomers by thin layer chromatography and {sup 1}H NMR, or by their melting points. (author)

2010-07-01

415

British Library Electronic Table of Contents (United Kingdom)

A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...

2009-01-01

416

Structure and antimicrobial activity relationship of quaternary N-alkyl chitosan derivatives against some plant pathogens

British Library Electronic Table of Contents (United Kingdom)

In the present work, quaternary chitosans as water-soluble compounds were prepared based on three-step process. Schiff bases were firstly synthesized by the reaction between the amino groups of chitosan with aliphatic aldehydes followed by a reduction with sodium borohydride (NaBH4) to form N-(alkyl) chitosans. N,N,N-(dimethyl alkyl) chitosans were then obtained by a reaction of chitosan containing N-butyl, N-pentyl, N-hexyl, N-heptyl, and N-octyl substituents with methyl iodide. The compounds were characterized using IR and NMR spectroscopy. Subsequent experiments were conducted to test their antimicrobial activities against the most economic plant pathogenic bacteria of crown gall disease Agrobacterium tumefaciens, soft mold disease Erwinia carotovora, fungi of grey mold Botrytis cinerea...

2010-01-01

417

Solvothermal Synthesis of a New Photochromic Azo Polymer and its Self-assembly Behavior

British Library Electronic Table of Contents (United Kingdom)

An amphiphilic azobenzene diblock copolymer {2-[4-(4-methoxy phenyl azo)phenoxy]hexyl acrylate co-acrylic acid} was synthesized via reversible addition-fragmentation chain transfer polymerization in a hydrothermal reactor. The products were characterized by 1H-NMR, DSC, GPC and UV-Vis spectroscopy. Different self-assembly behaviors of this amphiphilic diblock copolymer in different organic solvent with different water content were investigated. In THF/H2O solution, the diblock copolymer self-assembled into spheres and the spheres would then change to vesicles with smaller size by increasing the volume of H2O. However, in DMSO/H2O solution, the sizes and morphologies of the self-assembled spheres would not change significantly with an enhanced amount of H2O. Photochromic behaviors of the am...

2010-01-01

418

Preparation and characterization of a novel polymeric based solid-solid phase change heat storage material

The relationship between microstructure and macro properties of different cementitious materials has been investigated. This study consists of the following tasks: using NMR and IR to better characterize the amorphous and poorly crystalline phases that occur in blended cements; characterizing the microstructure of the hydration products of modified Portland cement as a function of different percentages of pozzolan replacements by ESEM, SEM, and EDS; comparing the properties of blended cement pastes with a control group of normal Portland cements; and studying the engineering aspects of blended cement that are important for identifying and characterizing fundamental phenomena that are responsible for their durability. The overall influence of the nanoscale and microscale structure of blended and Portland cement on the properties of the resultant composite will be discussed.

1997-10-01

419

Premnalatifolin A, a novel dimeric diterpene from Premna latifolia Roxb

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, "1H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

2009-06-01

420

British Library Electronic Table of Contents (United Kingdom)

Premnalatifolin A (1), a unique icetexane diterpene dimer was isolated from the stem-bark of Indian medicinal plant, Premna latifolia. Its structure and relative stereochemistry were elucidated on the basis of detailed spectroscopic analysis, including HRESIMS and 2D NMR (COSY, HSQC, HMBC, and NOESY) spectra. The compound has dimeric carbon skeleton composed of two icetexane skeletal diterpenes linked via ether bond. Further, premnalatifolin A (1) was also evaluated for its cytotoxicity against cancer cell lines (HT-29, A-431, MCF-7, Hep-G2, PC-3, A-549, B-16 F10, and ACHN), which displayed potent activity against HT-29 and MCF-7 cell lines with the IC50 values of 12.15 and 1.11mg/mL, respectively.

2011-01-01

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421

Preliminary studies on the chemical characterization and antioxidant properties of acidic polysaccharides from Sargassum fusiforme

British Library Electronic Table of Contents (United Kingdom)

In order to investigate the antioxidant properties of the polysaccharides from the brown alga Sargassum fusiforme, the crude polysaccharides from S. fusiforme (SFPS) were extracted in hot water, and the lipid peroxidation inhibition assay exhibited that SFPS possessed a potential antioxidant activity. Hence, two purely polymeric fractions, SFPS-1 and SFPS-2 were isolated by the column of DEAE (2-diethylaminoethanol)-Sepharose Fast Flow, with their molecular weights of 51.4 and 30.3 kDa determined by high performance gel permeation chromatography (HPGPC). They were preliminarily characterized using chemical analysis in combination of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and found to contain large amounts of uronic acids and ?-glycosidical linkages. The antioxida...

2008-01-01

422

Polyester and multiwalled carbon nanotube composites: characterization, electrical conductivity and antibacterial activity

British Library Electronic Table of Contents (United Kingdom)

Abstract Poly(butylene terephthalate) (PBT) composites containing multiwalled carbon nanotubes (MWCNTs) were prepared using a melt-blending process and used to examine the effects on the composite structure and properties of replacing PBT with acrylic acid-grafted PBT (PBT-g-AA). PBT-g-AA and multihydroxyl-functionalized MWCNTs (MWCNTs-OH) were used to improve the compatibility and dispersibility of the MWCNTs within the PBT matrix. The composites were characterized morphologically using transmission electron microscopy, and chemically using Fourier transform infrared, solid-state 13C NMR and UV-visible absorption spectroscopy. The antibacterial and electrical conductivity properties of the composites were also evaluated. MWCNTs or MWCNTs-OH enhanced the antibacterial activity and electric...

2011-01-01

423

Palladium polypyridyl complexes: synthesis, characterization, DNA interaction and biological activity on Leishmania (L.) mexicana

Oxidation of polycaprolactone to induce compatibility with other degradable polyesters

This paper describes the search for new potential chemotherapeutic agents based on transition metal complexes with planar ligands. In this study, palladium polypyridyl complexes were synthesized and characterized by elemental analysis, NMR, UV-VIS and IR spectroscopies. The interaction of the complexes with DNA was also investigated by spectroscopic methods. All metal-to-ligand charge transfer (MLCT) bands of the palladium polypyridyl complexes exhibited hypochromism and red shift in the presence of DNA. The binding constant and viscosity data suggested that the complexes [PdCl{sub 2}(phen)] and [PdCl{sub 2}(phendiamine)] interact with DNA by electrostatic forces. Additionally, these complexes induced an important leishmanistatic effect on L. (L.) mexicana promastigotes at the final concentration of 10 {mu}mol L{sup -1} in 48 h. (author)

2008-07-01

424

British Library Electronic Table of Contents (United Kingdom)

Chemical modification of poly(?-caprolactone) PCL by oxidation with potassium permanganate in solution was investigated. According to the data obtained from Fourier transform infrared spectroscopy (FT-IR) and nuclear magnetic resonance 1H NMR, after the oxidation reactions the PCL chains exhibited new functional groups (vinyl and hydroxyl) and possible intermolecular recombination, producing an oxidized-polycaprolactone (PCL-OX). Solution viscometry indicated that degradation also occurred during the oxidation reactions (30% drop in viscosity average molecular weight was detected). Differential scanning calorimetry (DSC) also indicated that PCL was chemically modified and degraded. The successive self-nucleation/annealing (SSA) treatment confirmed that a reduction (or interruption) in line...

2007-01-01

425

Nuclear magnetic resonance on oriented "1"7"5Ta and "1"7"7Ta

Nuclear magnetic resonance imaging of the abnormal live rat and correlations with tissue characteristics

"1"7"5Ta and "1"7"7Ta nuclei were oriented at low temperature as dilute impurities in Fe. The magnetic hyperfine splitting frequencies #nu#="+#mu#B sub(HF)/Ih"+ of the "1"7"5Ta and "1"7"7Ta ground states have been measured to be 320.45(11) and 317.552(55) MHz by using the technique of NMR-ON. Taking the known hyperfine field of "1"8"1Ta in Fe, the magneticmoments have been deduced: "+#mu#("1"7"5Ta, 7/2"+)"+=2.270(45) and "+#mu#("1"7"7Ta, 7/2"+)"+=2.250(45)#mu# sub(N). These values of the magnetic moments are discussed in the framework of the rotational model. (author).

426

Neutron powder diffraction and solid-state deuterium NMR studies of Ca{sub 2}RuD{sub 6} and the stability of transition metal hexahydride salts

Nuclear magnetic resonance (NMR) images of live rats with sterile and pyogenic abscesses, hematomas, and various implanted and spontaneous neoplasms demonstrated good contrast differentiation between pathologic and surrounding normal tissues. This differentiation was maximal when both the T1 and T2 tissue relaxation times were used as criteria. Neoplasms have a broad range of T1 and T2 values and may be confused with abscesses or hematomas. Tissue rate constants (1/T1 and 1/T2) are mainly dependent on total water content, the exception being fat, which has a 1/T2 value much shorter than that expected on the basis of water content alone.

1981-10-01

427

Neutron powder diffraction and solid-state deuterium NMR studies of Ca2RuD6 and the stability of transition metal hexahydride salts

The crystal structure of Ca{sub 2}RuD{sub 6} has been determined by neutron powder diffraction: space group Fm3m, K{sub 2}PtCl{sub 6} structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340 K and 50 K. The deuterium nuclear quadrupole coupling constant, 54.7 kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A{sub 2}MH{sub 6} salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

2008-07-28

428

British Library Electronic Table of Contents (United Kingdom)

The crystal structure of Ca2RuD6 has been determined by neutron powder diffraction: space group Fm3m, K2PtCl6 structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340K and 50K. The deuterium nuclear quadrupole coupling constant, 54.7kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A2MH6 salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

2008-01-01

429

Mesodynamics in the SARS nucleocapsid measured by NMR field cycling

In situ ligand exchange of thiol-capped CuInS2/ZnS quantum dots at growth stage without affecting luminescent characteristics

Protein motions on all timescales faster than molecular tumbling are encoded in the spectral density. The dissection of complex protein dynamics is typically performed using relaxation rates determined at high and ultra-high field. Here we expand this range of the spectral density to low fields through field cycling using the nucleocapsid protein of the SARS coronavirus as a model system. The field-cycling approach enables site-specific measurements of R{sub 1} at low fields with the sensitivity and resolution of a high-field magnet. These data, together with high-field relaxation and heteronuclear NOE, provide evidence for correlated rigid-body motions of the entire {beta}-hairpin, and corresponding motions of adjacent loops with a time constant of 0.8 ns (mesodynamics). MD simulations substantiate these findings and provide direct verification of the time scale and collective nature of these motions.

2009-09-15

430

British Library Electronic Table of Contents (United Kingdom)

An aliphatic thiol ligand of CuInS2/ZnS core/shell quantum dots is replaced with a hydroxyl-terminated thiol ligand by utilizing `on-off state' of ligands during growth stage of the quantum dots. After the ligand-exchange, negligible differences were observed on both photoluminescence spectrum and luminescent quantum efficiency. The reason for the high retention of luminescent efficiency comes from no local agglomeration and no surface deterioration of QDs. It is also observed that 70% of initial ligands are exchanged by the replacing ligand, determined by FT-IR and 1H NMR. The proposed method provides the quantum dots with an excellent dispersibility in polar solvents, supported by identical luminescence decay characteristics of the QDs.

2011-01-01

431

Hydrocracking of Arabian mix asphaltenes in the presence of modified red mud

Heteropolyanion-based ionic hybrid solid: A green bulk-type catalyst for hydroxylation of benzene with hydrogen peroxide

Asphaltenes precipitated from an Arabian Mix vacuum residue were hydrocracked in a batch autoclave at 435 and 460{degree}C for 5-90 min. Experiments without catalyst, with modified red mud and with an industrial Co Mo/Al{sub 2}O{sub 3} catalyst were compared. The products were fractionated into gas, naphtha, oil, asphaltenes and coke. Feed asphaltenes and several product fractions were characterised by elemental analysis, by average molecular mass and by {sup 1}H n.m.r. Due to the hydrogenation activity, both catalysts caused - with similar efficiency - the decrease of coke formation and the increase of quantity and quality of oil. 21 refs., 9 figs., 5 tabs.

1996-11-01

432

British Library Electronic Table of Contents (United Kingdom)

A novel heteropolyanion-based ionic hybrid was prepared by combining the divalent ionic liquid (IL) cation of 1,1'-(butane-1,4-diyl)-bis(3-methylimidazolium) with the Keggin-structured V-containing heteropolyanion, and characterized by ^1H NMR, FT-IR, ESI-MS, XRD, SEM, TG, BET surface area, melting point, and elemental analysis. Its catalytic activity was evaluated in the hydroxylation of benzene with aqueous H2O2, including the testing of the influence of organic cations, catalytic reusability and optimization of reaction conditions. This hybrid is characterized to be semi-amorphous nanoparticles with a IL-like composition. The hybrid catalyst leads to the liquid-solid biphasic reaction system for hydroxylation of benzene with H2O2, presenting such advantages as high catalytic activity, c...

2011-01-01

433

Fullerene-Derivatized Amino Acids: Synthesis, Characterization, Antioxidant Properties, and Solid-Phase Peptide Synthesis

British Library Electronic Table of Contents (United Kingdom)

A series of [60]fullerene-substituted phenylalanine (Baa) and lysine derivatives have been prepared by the condensation of 1,2-(4prime-oxocyclohexano)fullerene with the appropriately protected (4-amino)phenylalanine and lysine, respectively. Conversion of the imine to the corresponding amine is achieved by di-acid catalyzed hydroboration. The reduction of the imine is not accompanied by hydroboration of the fullerene cage. The [70]fullerene phenylalanine derivative has also been prepared as have the di-amino acid derivatives. The compounds were characterized by MALDI-TOF mass spectrometry, UV/Vis spectroscopy, and cyclic voltammetry. 1H and 13C NMR spectroscopy allowed the observation of diastereomers. Fullerene-substituted peptides may be synthesized on relatively large scale by solid-pha...

2007-01-01

434

Flavonols and an oxychromonol from Piliostigma reticulatum

British Library Electronic Table of Contents (United Kingdom)

The leaf extract from the plant Piliostigma reticulatum was found to exhibit antimicrobial activity against some bacteria and fungi such as Staphylococcus aureus (NCTC 6571), Escherichia coli (NCTC 10418), Bacillus subtilis (NCTC 8236), Proteus vulgaris (NCTC 4175), Aspergillus niger (ATCC 10578) and Candida albicans (ATCC 10231). Upon investigation of the chemical constituents present in the leaf extract, a total of seven compounds were isolated and their structures were unambiguously established by spectroscopic methods including HR-MS and NMR spectrometry. Four of the isolated compounds were novel, namely 6-C-methyl-2-p-hydroxyphenyloxychromonol (piliostigmol), 1, 6,8-di-C-methylquercetin-3,3prime,7-trimethyl ether, 2, 6,8-di-C-methylquercetin-3,3prime-dimethyl ether, 3 and 3prime,6,8,-...

2008-01-01

435

Five naturally bioactive molecules including two rhamnopyranoside derivatives isolated from the Streptomyces sp. strain TN58

British Library Electronic Table of Contents (United Kingdom)

Extraction of 25 L fermentation broth of the newly isolated Streptomyces sp. strain TN58 and various separation and purification steps led to the isolation of five bioactive metabolites, namely brevianamide F (C1), reported from a streptomycete for the first time, N?-acetyltryptamine (C2), thiazolidomycin (C3), and two rhamnopyranosides (C4 and C5). These two rhamnopyranosides were produced directly, without precursor addition. The chemical structure of these five active compounds was established on the basis of 1H, 13C/APT and 2D NMR spectra, ESI and EI-MS data, and by comparison with data from the literature. According to the biological studies, we show in this work that the compounds C1, C2, C4 and C5 possess antimicrobial activities.

2009-01-01

436

Control of biofilm formation in marine environment using some N{sub 2}O{sub 2} donor Schiff bases

Complexation of nitrogen and sulphur donor Schiff's base ligand to Cr(III) and Ni(II) metal ions: Synthesis, spectroscopic and antipathogenic studies

The adhesion of microorganisms onto materials surface mediated by extracellular polymeric substances (EPS) lead to an important modification of the metal-solution interface. The requirement of modern civilization with the heightened sense of environmental responsibilities and quality of life can be met by using some eco-friendly microbiocides with different spectra of activity. Some N{sub 2}O{sub 2} donor Schiff base compounds were synthesized and characterized by IR, NMR and ESR spectroscopy. These compounds were found effective in controlling the growth of biofilm of E. coli, Pseudomonas fluorescens and Thiobacillus thiooxidans on copper surface. The optimum concentration of these compounds are in the range of 1--10 ppm. Various electrochemical, microbiological and surface-analytical techniques were used to monitor the biofilm in the presence of microbiocides.

1997-08-01

437

British Library Electronic Table of Contents (United Kingdom)

2,6-Diacetyl pyridine based ligand was synthesized by the reaction of 2,6-diacetyl pyridine with thiocarbohydrazide in presence of acetic acid. The coordination compounds with Cr(III) and Ni(II) metal ions having [Cr(L)X]X2 and [Ni(L)X]X compositions (where L=ligand and X=NO3^-, Cl^- and CH3COO^-) were synthesized and characterized by physicochemical and spectral studies. The studies like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV-Vis, NMR, mass and EPR reveal that the complexes are octahedral. The compounds were examined against the pathogenic fungal and bacterial strains like Alternaria brassicae, Aspergillus niger, Fusarium oxysporum, Xanthomonas compestris and Pseudomonas aeruginosa. A. niger causes the diseases Apergillosis and Oto...

2011-01-01

438

Chemical constituents of Galianthe brasiliensis (Spreng.) E.L.Cabral and Bacigalupo (Rubiaceae); Constituintes quimicos de Galianthe brasiliensis (Rubiaceae)

Chemical constituents and anti-inflammatory and antioxidant activities evaluation of the leaves extracts of Chomelia obtusa Cham. and Schltdl. (Rubiaceae)

The paper describes the chemical constituents isolated from aerial parts of the plant Galianthe brasiliensis. From a methanol extract, the iridoid glycosides asperuloside, deacetylasperuloside, mixture of Z- and E-6-O-p-coumaroylscandoside methyl ester, the triterpene ursolic acid and the steroids stigmasterol, campesterol, b-sitosterol and 3-O-b-glucopyranosyl sitosterol were isolated. The structures of the natural products were identified on the basis of spectral data, including 2D NMR experiments. The antiproliferative properties of the crude methanolic extract were investigated against a series of nine human cancer cell lines. (author)

2006-05-15

439

Antibacterial iridoid glucosides from Eremostachys laciniata

The phytochemical investigation of Chomelia obtusa leaves led to the isolation of four triterpenes (3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl quinovic acid, 3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl cincholic acid, and a mixture of ursolic and oleanolic acids), two flavonoids (3-O-#beta#-D-glycopyranosyl quercetin, 3-O-[#alpha#-L-rhamnopyranosyl-(1#->#6)-#beta#-D-galactopyranoside] quercetin), besides bornesitol and a mixture of 3,5- and 4,5-O-dicaffeoyl quinic acids. The structures of the isolated compounds were assigned on the basis of spectroscopic data, including two-dimensional NMR methods. The anti-inflammatory and antioxidant activities of the crude methanolic extract and of its fractions were evaluated. This is the first report on the chemical and biological investigation of the Chomelia genus. (author)

440

British Library Electronic Table of Contents (United Kingdom)

Eremostachys laciniata (L) Bunge (family: Lamiaceae alt. Labiatae; subfamily: Lamioideae) is one of the 15 endemic Iranian herbs of the genus Eremostachys. A decoction of the roots and flowers of E. laciniata has traditionally been taken orally for the treatment of allergies, headache and liver diseases. Three antibacterial iridoid glucosides, phloyoside I (1), phlomiol (2) and pulchelloside I (3) have been isolated from the rhizomes of this plant. The structures of these compounds were elucidated unequivocally by a series of 1D and 2D NMR analyses. The antibacterial activity and brine shrimp toxicity of these compounds were assessed using the resazurin microtitre assay and the brine shrimp lethality assay, respectively. All three iridoid glycosides 1-3 exhibited from low to moderate level...

2009-01-01

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441

A nontoxic antitumour compound from the leaves of Bauhinia scandens characterized as 1-O-alkyl glycerol by gas-liquid chromatography and evaluation of its antitumour property by Brine Shrimp bioassay

British Library Electronic Table of Contents (United Kingdom)

This is a report of extraction and identification of 1-O-alkyl glycerol present in the dried leaves of Bauhinia scandens. Fifty percent aqueous ethanolic extract of the plant at room temperature was fractionated over petroleum ether and diethyl ether. The diethyl ether soluble fraction showed positive bioactivity in Brine Shrimp bioassay. Isolation and purification of the active principle was subsequently done from diethyl ether fraction. The diethyl ether fraction was separated into acidic and neutral part. The acid free fraction was screened to be positive in Brine Shrimp bioassay. The NMR spectra (in CDCl3) indicated the probability of its lipoidal nature. The total lipid fraction was resolved into neutral, glyco, and phospho-lipids by column chromatography. Only the neutral fraction sh...

2008-01-01

442

A new vanadium Schiff base complex as catalyst for oxidation of alcohols

British Library Electronic Table of Contents (United Kingdom)

The monoanionic bidentate Schiff base, N-(phenolyl)-benzaldimine (HL), has been employed to synthesize a new vanadium(IV) complex of general composition [VO(L)2] (where L = O, N donor of Schiff base). The ligand and complex have been fully characterized by elemental analyses, molar conductance data, FT-IR, 1H- and 13C-NMR, and UV-Vis spectroscopies. Oxidation of alcohols to their corresponding aldehydes and ketones was conducted by this complex catalyst using Oxone as oxidant under biphasic reaction conditions (CH2Cl2/H2O) and tetra-n-butylammonium bromide as phase transfer agent under air at room temperature.

2010-01-01

443

Symmetries in nuclei near the centre of the f{sub 7/2} shell

{alpha}- and {beta}-Cyclodextrin [2]rotaxanes with (diethylenetriamine)platinum(II) stoppers

High-spin states in the mirror pair nuclei {sup 49}Cr and {sup 49}Mn and their cross-conjugate partners, the mirror pair {sup 47}V and {sup 47}Cr have been investigated using experimental {gamma}-ray spectroscopic techniques. The combination of high-efficiency EUROBALL cluster Germanium detectors and clean exit-channel gating afforded by a 31-element silicon ball used in conjunction with a 15-detector neutron wall allowed a revision and extension to the energy level schemes of all four nuclei up to J{sup {pi}}=31{sup -}/2. The difference in excitation energy between states of equivalent spin in the parent nucleus and its analogue partner have thus been established for both mirror pairs up to the f{sub 7/2}-shell band terminating state for the first time. This difference is assumed to be due almost entirely to the Coulomb effect and is therefore called the Coulomb energy difference (CED). The variation in the CED with spin ...

1998-10-01

444

Temperature-induced fusion of small unilamellar vesicles formed from saturated long-chain lecithins and diheptanoylphosphatidylcholine

A series of dinuclear platinum(II) complexes, [(dien)Pt(NH{sub 2}(CH{sub 2}){sub n}NH{sub 2})Pt(dien)]Cl{sub 4} (dien = diethylenetriamine, n = 8, 9, 10, and 12) and their corresponding [2]rotaxanes with {alpha}-cyclodextrin ({alpha}-CD), [(dien)Pt{l_brace}NH{sub 2}(CH{sub 2}){sub n}NH{sub 2}{center_dot}{alpha}-CD{r_brace}Pt(dien)]Cl{sub 4}, have been synthesized and characterized by {sup 1}H, {sup 13}C, and {sup 195}Pt NMR spectroscopy and electrospray mass spectrometry. The rotaxanes were prepared by reacting the {l_brace}NH{sub 2}(CH{sub 2}){sub n}NH{sub 2}{center_dot}{alpha}-CD{r_brace} pseudorotaxanes with [Pt(dien)]Cl, to stopper the included linear {alpha},{omega}-diaminoalkane chains with the inert Pt(II) end groups. The kinetics of the self-assembly and dissociation of the {beta}-CD rotaxane, [(dien)Pt{l_brace}NH{sub 2}(CH{sub 2}){sub 10}NH{sub 2}{center_dot}{beta}-CD{r_brace}Pt(dien)]{sup 4+}, were investigated by using {sup 1}H NMR ...

2005-12-15

445

Supramolecular selectivity of [60]-fullerene among equivalently photoactive porphyrins

Small unilamellar vesicles which form when gel-state long-chain phosphatidylcholines are mixed with micellar short-chain lecithins undergo an increase in size as the long-chain species melts to its liquid-crystalline form. Analysis of the vesicle population with quasi-elastic light scattering shows that the particle size increases from 90-A radius to greater than 5000-A radius. Resonance energy transfer experiments show total mixing of lipid probes with unlabeled vesicles only when the Tm of the long-chain phosphatidylcholine is exceeded. This implies that the large size change represents a fusion process. Aqueous compartments are also mixed during this transition. 31P NMR analysis of the vesicle mixtures above the phase transition shows a great degree of heterogeneity with large unilamellar particles coexisting with oligo- and multilamellar structures. Upon cooling the vesicles below the Tm, the original size distribution (e.g., small unilamellar vesicles) is ...

1989-10-03

446

Solid-state NMR and XRD study of #alpha#-SiAlON powders prepared by combustion synthesis

The photophysical investigation of different para-substituted tetraphenylporphyrins (TP), viz., meso-tetra(4'-hydroxyphenyl)-21H-23H-porphyrin(1),meso-tetrakis (4'-hex-5-enyloxyphenyl)-21H-23H-porphyrin(2), meso-tetrakis(4'-oct-7-enyloxyphenyl)-21H-23H-porphyrin(3) and meso-tetrakis(4'-undecyloxyphenyl)-21H-23H-porphyrin (4) revealed that except for quantum yield (#phi#) the para-substitution has little effect on any other photophysical properties like lifetime, excitation, emission wavelength, etc. The host-guest type interactions of these tetraarylporphyrins (TP 1-4), with [60]-fullerene (F) have been studied with "1H NMR and fluorescence spectrometric techniques in carbon tetrachloride medium. Fluorescence studies revealed that the Q band of the TPs was sufficiently quenched upon addition of F. All the fullerene/porphyrin systems were found to produce stable complexes with 1:1 stoichiometry. Binding constants (K) of all the fullerene/porphyrin complexes have ...

2010-10-01

447

Simple Methods for Determining Relative Stereochemistry of Kainoid Amino Acids by (1)H NMR Chemical Shifts.

"2"7Al and "2"9Si solid-state NMR spectra and X-ray diffraction (XRD) patterns were obtained for #alpha#-SiAlON powders prepared by combustion synthesis, according to which the phase transformation and structure evolution of #alpha#-SiAlON were studied. It was found that in #alpha#-SiAlON "2"9Si chemical shift values (-48 < #delta# _S_i < -47) were close to those in #beta#-Si_3N_4 and #alpha#-Si_3N_4, indicating that Si atoms kept SiN_4 coordination to a large extent in #alpha#-SiAlON despite the presence of O atoms. Dissimilarly, "2"7Al chemical shift values in #alpha#-SiAlON deviated clearly from that corresponding to AlN_4 coordination (#delta# _A_l #approx# 112) and occurred in a range from #delta# _A_l 95.5 to 99.9, which should be assigned to tetrahedral AlO _xN_4_-_x (0 #<=# x #<=# 4) coordination. The broadening effect of AlO _xN_4_-_x peaks was noticed, which was suggested to induced by slight dispersion of #alpha#-SiAlON compositions. "2"7Al ...

2007-07-31

448

Quantum-chemical simulation of 1H NMR spectra. 2. Comparison of DFT-based procedures for computing proton-proton coupling constants in organic molecules.

The kainoid amino acids are biologically important compounds because they show remarkable neuroexcitatory and excitotoxic activities. For exhibiting potent activity, the stereochemical relationship of the substituents on the pyrrolidine ring is crucial. We found simple methods for determining the relative stereochemistry of these compounds on the basis of the (1)H NMR chemical shifts of H-2 and H-4 in D(2)O solution. The signals of H-2 appear at fields higher than 4.2 ppm when the compounds have 2,3-trans stereochemistry whereas, in the 2,3-cis compounds, they appear lower than 4.2 ppm, irrespective of the C-4 substituent. This criterion holds when the solution is in the range of pD 3-8. Moreover, when an epimeric pair at C-2 is available and the spectra are recorded at the same or nearly equal pD, the H-2 chemical shift of the 2,3-trans isomer is higher than that of the corresponding 2,3-cis isomer. Similarly, the relative stereochemistry between C-3 and C-4 can ...

1996-07-12

449

Platinum(II) complexes as spectroscopic probes for biomolecules

The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A selection of the better ...

2011-05-16

450

Onium ions. 34. The methoxydiazonium ion: preparation, /sup 1/H, /sup 13/C, and /sup 15/N NMR and IR structural studies, theoretical calculations, and reaction with aromatics. Attempted preparation and the intermediacy of the hydroxydiazonium ion

The use of platinum(II) complexes as tags and probes for biomolecules is indeed advantageous for their reactivities can be selective for certain purposes through an interplay of mild reaction conditions and of the ligands bound to the platinum. The use of {sup 195}Pt NMR as a method of detecting platinum and its interactions with biomolecules was carried out with the simplest model of platinum(II) tagging to proteins. Variable-temperature {sup 195}Pt NMR spectroscopy proved useful in studying the stereodynamics of complex thioethers like methionine. The complex, Pt(trpy)Cl{sup +}, with its chromophore has a greater potential for probing proteins. It is a noninvasive and selective tag for histidine and cysteine residues on the surface of cytochrome c at pH 5. The protein derivatives obtained are separable, and the tags are easily quantitated and differentiated through the metal-to-ligand charge transfer bands which are sensitive to the ...

1990-09-21

451

Nuclear magnetic resonance spectroscopy in biomedicine. Course organized by the Istituto Superiore di Sanita`. Marciana Marina (Isola d`Elba), September 18-23, 1995; Spettroscopia di risonanza magnetica nucleare in biomedicina. Corso organizzato dall`Istituto Superiore di Sanita`. Marciana Marina (Isola d`Elba), 18-23 settembre 1995

Nitrous oxide is methylated with CH/sub 3/F ..-->.. SbF/sub 5/F/sub 2/ or with CH/sub 3/O/sup +/SOClF in SO/sub 2/ClF to give the stable methoxydiazonium ion CH/sub 3/ON/sub 2//sup +/ (1), which was characterized by NMR (/sup 15/N, /sup 13/C, /sup 1/H) and FT IR spectroscopic studies. It is stable below -30 /sup 0/C, above which it decomposes, regenerating N/sub 2/O. When reacted with aromatics, such as toluene, 1 gives only methylation products and no methoxy derivatives are formed. Spectroscopic and chemical data indicate that the mesomeric form CH/sub 3/O-N=N/sup +/ is a significant contributor to the overall structure of 1. Consideration of computed charge distribution (4-31 G with full geometry optimization and 4-31 G*) also supports this conclusion. Independent generation of 1 was also studied by solvolysis of methylazoxy triflate and diazotization of methoxylamine with NO/sup +/BF/sub 4//sup -/. Preparation of the elusive hydroxydiazonium ion HON/sub ...

1986-04-16

452

NMR studies of the partially disordered state in a triangular antiferromagnet UNi_4B

Nuclear magnetic resonance is a powerful technique that can be used in a wide range of applications, such as the structural characterization of high molecular weight molecules, conformational studies on enzymes in solution, enzyme-substrate or DNA-protein interactions, monitoring of cell metabolism in vivo, and for diagnostic purposes, employing spectroscopic and imaging techniques. This course was organized in order to introduce the participants to the fundamentals of NMR spectroscopy, and offer practical advice on performing NMR experiments on cell systems, cell and tissue extracts and animal models. The main implications regarding human experiments were also discussed. Finally the quantification of information and the interpretation of data were considered with regard to the main nuclei observed. [Italiano] La risonanza magnetica nucleare e` una delle tecniche spettroscopiche che meglio risponde all`ampio spettro di condizioni imposto dalla ...

1997-12-01

453

Isoelectric focusing purity criteria and "1H NMR detectable spectroscopic heterogeneity in the major isolated monomer hemoglobins from Glycera dibranchiata

A triangular antiferromagnet UNi_4B experiences a partially disordered state, in which two-thirds of U 5f moments order in a vertex-like structure and one-third of U 5f moments remain paramagnetic. Magnetization and NMR measurements of UNi_4B have been performed to study the dynamical properties of U magnetic moments in the partially disordered state. The value of the effective moment above T_N derived from the fitting of the Curie-Weiss law suggests a significant crystal field splitting and the Kondo effect. The Weiss temperature was also estimated to be -28 K, which suggests that the exchange interaction is antiferromagnetic. Furthermore, the exchange interaction estimated from the relaxation rate T_1"-"1 above 50 K is 18 K, which is close to the Weiss temperature. These results suggest that the dominant interactions between U moments are antiferromagnetic in the basal plane. The relaxation rate T_1"-"1 decreases abruptly below T_N down to 15 K and is almost ...

2007-04-11

454

General fundamentals of radiological diagnostics. Specific diagnostic radiology: Throat, mediastinum, diaphragm, mammary gland, infant thorax. 7. rev. ed.

Three major monomeric hemoglobins have been isolated from the erythrocytes of Glycera dibranchiata. Their importance to structure-function studies of heme proteins lies in the fact that they have been shown to possess an exceptional amino acid substitution. In these proteins, the E-7 position is occupied by leucine rather than the more common distal histidine. This substitution alters the polarity of the heme ligand binding environment compared to myoglobin. Due to this, the G. dibranchiata monomer hemoglobins are attracting much attention. However, until now no purity criterion has been developed. Here the authors demonstrate that, for all of the Glycera momomer hemoglobins, multiple line patterns are shown on high-voltage isoelectric focusing (IEF) gels. Most of these lines are shown to be a consequence of heme-related phenomena and can be understood on the basis of changes in oxidation and ligation state of the heme iron. The multiple line pattern does not indicate significant ...

455

/sup 15/N NMR spectra of pentaamminerhodium(III) complexes

The fundamentals and the technical application methods of the imaging procedures are discussed in detail with regard to their application in medicine. The development of the X-ray contrast media has led to a better tolerance and a significant reduction of risks. Problems relating to radiation protection and radiation exposure are discussed critically. The general point gives an overview of the radiological examination methods and is meant to deepen the understanding of the special techniques and their rationally determined application. The following special part deals with diagnosing of organs in the region of the neck and the thorax. The general basis is the conventional radiological examination. The great increase in information achieved by means of the new imaging methods becomes clear if we look at the diagnostics of the soft tissue of the neck. Computerized tomography and NMR imaging open the view at the fine structures of the mediastinum. Mammography is an ...

456

Yrast isomers, multi-quasiparticle states and blocking in "1"7"6Ta and "1"7"7Ta

A series of pentaamminerhodium(III) complexes, Rh(NH/sub 3/)/sub 5/Z/sup n+/, has been prepared with 80% enrichment in /sup 15/N (Z = H/sub 2/O, OH/sup /minus//, Cl/sup /minus//, Br/sup /minus//, I/sup /minus//, NH/sub 3/, /minus/ONO/sup /minus//, /minus/NO/sub 2//sup /minus//, /minus/NCS/sup /minus//, /minus/SCN/sup /minus//, /minus/NCO/sup /minus//, CN/sup /minus//). The /sup 1/H-decoupled /sup 15/N NMR spectra show two doublets (from coupling to /sup 103/Rh) with approximate intensity ratio 4:1. /delta//sub N/ and /sup 1/J(rh-N) are sensitive to Z, especially for the unique amine trans to Z. Good correlations exist between /delta//sub N/ in this series of /delta//sub N/ in this series and /delta//sub N/ in the corresponding cobalt(III) complexes Co(NH/sub 3/)/sub 5/Z/sup n+/ and platinum(II) complexes Pt(NH/sub 3/)/sub 3/Z/sup m+/, J(Rh-N) trans to Z also correlates well with H(Pt-N) trans to Z in the platinum series. 16 refs., 2 figs., 1 tab.

1988-11-30

457

Two-nucleon multiplets near mass A = 88 and the implication for the residual nucleon-nucleon interaction

K"#pi#=20"- and 49/2"- yrast isomers have been discovered in "1"7"6Ta and "1"7"7Ta, with meanlives of 1.4 ms and 0.19 ms, respectively. The long meanlives arise from substantial K-hindrance in the "1"7"6Ta case but from spin-trapping in the "1"7"7Ta case. Quasiparticle calculations, which treat the Fermi and pairing energies self-consistently, reproduce the excitation energies of these isomers and the other multi-quasiparticle high-K states observed. Due to blocking, pairing is significantly reduced in the 3-quasiparticle states, the extent depending on the specific configurations. It is completely quenched for both protons and neutrons in the highest seniority states. Yrast traps of even higher spin are predicted to exist in "1"7"6Ta and "1"7"7Ta. ((orig.)).

458

Two-nucleon multiplets near mass A = 88 and the implication for the residual nucleon-nucleon interaction

The low excitation energy spectroscopy of /sup 86/Sr, /sup 88/Sr, /sup 89/Sr, /sup 86/Rb, and /sup 87/Rb nuclear systems was studied via one-nucleon transfer reactions. The strontium isotopes, /sup 87/Sr and /sup 88/Sr, were used as targets in this study. Spectroscopic strengths were extracted from the measured transfer reaction cross sections and the distorted wave Born approximation (DWBA) analysis. Efforts have been made to accomplish a complete detection of spectroscopic strengths through the excitation energy region where levels can be resolved and identified. A shell model sum rule analysis is then made. Diagonal matrix elements for the effective two-nucleon interaction were deduced from empirical energy centroid. Matrix elements normalized by their empirical monopole energy was plotted against the semiclassical angle between two spins. They were compared with various analytical function forms of the effective two-nucleon interaction depending on their ...

1987-01-01

459

The pre-outburst flare of the A 0535+26 August/September 2005 outburst

The low excitation energy spectroscopy of "8"6Sr, "8"8Sr, "8"9Sr, "8"6Rb, and "8"7Rb nuclear systems was studied via one-nucleon transfer reactions. The strontium isotopes, "8"7Sr and "8"8Sr, were used as targets in this study. Spectroscopic strengths were extracted from the measured transfer reaction cross sections and the distorted wave Born approximation (DWBA) analysis. Efforts have been made to accomplish a complete detection of spectroscopic strengths through the excitation energy region where levels can be resolved and identified. A shell model sum rule analysis is then made. Diagonal matrix elements for the effective two-nucleon interaction were deduced from empirical energy centroid. Matrix elements normalized by their empirical monopole energy was plotted against the semiclassical angle between two spins. They were compared with various analytical function forms of the effective two-nucleon interaction depending on their spins, ...

460

Testing of the SpinTek Rotary Microfilter Using Actual Waste

We study the spectral and temporal behavior of the High Mass X-ray Binary A 0535+26 during a `pre-outburst flare' which took place ~5 d before the peak of a normal (type I) outburst in August/September 2005. We compare the studied behavior with that observed during the outburst. We analyse RXTE observations that monitored A 0535+26 during the outburst. We complete spectral and timing analyses of the data. We study the evolution of the pulse period, present energy-dependent pulse profiles both at the initial pre-outburst flare and close to outburst maximum, and measure how the cyclotron resonance-scattering feature (hereafter CRSF) evolves. We present three main results: a constant period P=103.3960(5)s is measured until periastron passage, followed by a spin-up with a decreasing period derivative of Pdot=(-1.69+/-0.04)x10^(-8)s/s at MJD 53618, and P remains constant again at the end of the main outburst. The spin-up provides evidence for the ...

2008-01-01

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

461

Structure and magnetic properties of polymer matrix nanocomposites

The Department of Energy selected caustic-side solvent extraction (CSSX) as the preferred cesium-removal technology for SRS high-level waste. In the pretreatment step of the CSSX flowsheet, the incoming salt solution, which contains entrained sludge, is contacted with MST to adsorb strontium and selected actinides. An alternative approach replaces MST with the addition of sodium permanganate, strontium nitrate, and hydrogen peroxide. The pretreatment operation then filters the resulting slurry to remove the sludge and MST or manganese oxide and strontium carbonate solids. The filtrate receives further treatment in the solvent extraction system. SRTC personnel coordinated tests using a SpinTek rotary microfilter at the vendor location in FY01. These tests demonstrated a significant improvement - 2.5 to 6 times increase - in performance relative to the conventional cross-flow filter units. Rotary microfilter testing used a filter disk with nominal pore size of either ...

2004-02-13

462

Spin-lattice relaxation in A-15 type intermetallic compounds

Structure and magnetic properties of the thermal decomposition products of Fe(III(Co(II) acrylate complex were analysed. The crystalline phases, which were found in the fully processed material, at 643 K, were Fe_3O_4, CoFe_2O_4 and CoO and had a mean particle size of about 30 nm. In the intermediate stages of the thermolysis iron was present in a form of Fe"I"I"I (trivalent low-spin iron), Fe"2"+ (divalent high-spin iron), and Fe_3O_4. The coercivity and remanence were measured versus temperature in the range of 5-300 K, in 1.1 T applied field. Both _MH_c and M_r, decreased showing room temperature values of 0.038 T and 7.49 mT, for coercivity and remanence, respectively. At temperatures below 200 K the hysteresis loops were asymmetrical, opened and shifted towards negative field values. (author)

2001-09-23

463

Spin-lattice relaxation in A-15 type intermetallic compounds

The temperature dependence of T/sub 1/ spin-lattice relaxation time on /sup 51/V, /sup 69/Ga, /sup 71/Ga and Knight shift on /sup 51/V and /sup 29/Si nuclei in polycrystalline V/sub 3/Si, V/sub 3/Ga, V/sub 3/Ge and in the monocrystal V/sub 3/Si in normal state is investigated. For V/sub 3/Si and V/sub 3/Ga a rapid growth (T/sub 1/T)/sup -1/ is observed with temperature decrease while for V/sub 3/Ge the maximum (T/sub 1/T)/sup -1/ at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T/sub 1/ anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T/sub 1/T)/sup -1/ and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V/sub 3/Si from T/sub 1/ measurements.

1981-04-01

464

Spin correlations in the frustrated square lattice Pb{sub 2}VO(PO{sub 4}){sub 2}

The temperature dependence of T_1 spin-lattice relaxation time on "5"1V, "6"9Ga, "7"1Ga and Knight shift on "5"1V and "2"9Si nuclei in polycrystalline V_3Si, V_3Ga, V_3Ge and in the monocrystal V_3Si in normal state is investigated. For V_3Si and V_3Ga a rapid growth (T_1T)"-"1 is observed with temperature decrease while for V_3Ge the maximum (T_1T)"-"1 at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T_1 anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T_1T)"-"1 and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V_3Si from T_1 measurements.

465

Realisations of classical and quantum W_3 symmetry

The new frustrated square-lattice system, Pb{sub 2}VO(PO{sub 4}){sub 2}, has been investigated using polarised neutron scattering. From these studies, made on powdered samples, we have determined the nature of the exchange interactions and the magnetic ordering for this novel quantum magnet. Quantum order from disorder occurs at low temperature, and the ground state observed below the Neel temperature T {sub N}{approx}3.7 K is a collinear antiferromagnet. At room temperature there are no magnetic correlations and it is possible to model the scattering with the V{sup 4+} magnetic form factor. However, at T{approx}20 K, a temperature well into the paramagnetic phase, magnetic correlations are observed, and these spin correlations have been modelled using a high-temperature series expansion. Ferromagnetic nearest-neighbour exchange J {sub 1}{approx}-2 K and antiferromagnetic next-nearest-neighbour exchange J {sub 2}{approx}6.5 K are obtained, and this is of particular ...

2007-03-15

466

Rapidly solidified AZ31 magnesium alloy ribbons used in rechargeable batteries

We consider realisations of Zamolodchikov's nonlinear W_3 algebra at the classical and quantum level. Recent work has produced gaugings of the classical W_3 algebra starting from a theory of n scalar fields #PHI#"i, given the existence of a set of coefficients d_i_j_k satisfying a certain algebraic identity. We note that a solution exists for each Jordan algebra determined by a cubic norm form, leading to an infinite family of 'generic' models for all n, plus four special cases with n = 5, 8, 14 and 26. Taking free-field ansaetze for the spin-two and spin-three currents, we then formulate the conditions for the quantum W_3 algebra to be satisfied. We show how the generic classical models may be extended to the quantum case for every n, reducing to the construction of Fateev and Zamolodchikov for n = 2. These models are seen to be examples of a completely general construction, which produces a realisation of W_3 from an arbitrary realisation of ...

1991-04-01

467

Quirks at the Tevatron and Beyond

Better properties of magnesium make it a natural choice for use as an anode material in rechargeable batteries. However, the magnesium alloy thin sheets used in rechargeable batteries were produced by ingot casting and rolling. That technology was so complex and the cost was high. Rapidly solidification by melt spinning is an effect way to solve that problem. In this paper, the technology of rapidly solidified (RS) ribbons in Mg-3%Al-1%Zn-0.2%Mn alloy has been investigated using melt spinning technique. The effect of wheel speed on thickness and microhardness of the ribbons is presented. Microhardness is found to increase with the wheel speed. Rapidly solidification leads to small grains (1{proportional_to}2 {mu}m). The plasticity of the ribbons was well. The quantity of Mg{sub 17}Al{sub 12} decreases with the increase in wheel speed. When the wheel speed reaches 1600 rpm, no Mg{sub 17}Al{sub 12} phase precipitates. As the increase of the wheel ...

2005-07-01

468

Quark-Hadron Duality in Spin Structure Functions $g_1^p$ and $g_1^d$

We consider the physics and collider phenomenology of quirks that transform nontrivially under QCD color, SU(2)_W as well as an SU(N)_{ic} infracolor group. Our main motivation is to show that the recent Wjj excess observed by CDF naturally arises in quirky models. The basic pattern is that several different quirky states can be produced, some of which beta-decay during or after spin-down, leaving the lightest electrically neutral quirks to hadronize into a meson that subsequently decays into gluon jets. We analyze LEP II, Tevatron, UA2, and electroweak precision constraints, identifying the simplest viable models: scalar quirks ("squirks") transforming as color triplets, SU(2)_W triplets and singlets, all with vanishing hypercharge. We calculate production cross sections, weak decay, spin-down, meson decay rates, and estimate efficiencies. The novel features of our quirky model includes: quirkonium decay proceeds into a pair of gluon jets, ...

2011-01-01

469

Proton spin lattice relaxation studies in lithium ammonium sulfate LiNH_4SO_4

New measurements of the spin structure functions of the proton and deuteron g{sub 1}{sup p}(x, Q{sup 2}) and g{sub 1}{sup d}(x, Q{sup 2}) in the nucleon resonance region are compared with extrapolations of target-mass-corrected next-to-leading-order (NLO) QCD fits to higher energy data. Averaged over the entire resonance region (W < 2 GeV), the data and QCD fits are in good agreement in both magnitude and Q{sup 2} dependence for Q{sup 2} > 1.7 GeV{sup 2}/c{sup 2}. This ''global'' duality appears to result from cancellations among the prominent ''local'' resonance regions: in particular strong {sigma}{sub 3/2} contributions in the {Delta}(1232) region appear to be compensated by strong {sigma}{sub 1/2} contributions in the resonance region centered on 1.5 GeV. These results are encouraging for the extension of NLO QCD fits to lower W and Q{sup 2} than have been used previously.

2006-07-25

470

Preparation of nanostructure Ni doped CdO thin films by sol gel spin coating method

Lithium ammonium sulfate (LAS) undergoes a phase transition at Tsub(c1) = 459.5deg K from a paraelectric phase (phase 1) to a ferroelectric phase (phase II) and again at Tsub(c2) = 283deg K to a polar ferroelastic phase (phase III). Proton spin lattice relaxation investigations in the temperature range 480-77deg K at 10 MHz show discontinuous changes in Tsub(1) at the transition temperatures, indicating first order phase transitions. The absence of the slow motion region (#omega#sub(not)tausub(not)>>1) shows that the ammonium ions are reorienting fast enough to keep the resonance absorption line narrow down to liquid nitrogen temperatures. The possibility of a second minimum and a low activation energy, Esub(a) = 2.659 kcal/mole, in phase III suggest the possibility of tunnelling of the protons at low temperatures. The nature of the transitions have been discussed in the light of the available literature. The unusually high activation energy, Esub(a) = 17.845 ...

1978-12-31

471

British Library Electronic Table of Contents (United Kingdom)

The nanostructure Ni-doped CdO films have been prepared by sol gel spin coating method. Atomic force microscopy results indicate that the CdO films are formed from the nanoparticles and the grain size is changed with nickel content. X-ray diffraction patterns of the films indicate that the undoped and Ni-doped CdO films have polycrystalline structure with a cubic sodium chloride structure, showing two main characteristic peaks assigned to the (111) and (200) planes. The optical band gap values of undoped and Ni-doped CdO films were determined by optical absorption method. The Eg values of the CdO films were found to be in the range of 2.26?2.60?eV. The Eg values of the CdO films increase with the content of Ni dopant (up to 6% Ni). It is evaluated that the optical band gap and grain size o...

2011-01-01

472

Population of nuclei close to N=Z line for A{approx}100 through emission of complex fragments and light charged particles

Numerical Models of Sgr A*

High spin states of the proton rich nuclei in the mass region A {approx} 100 have been studied at the GASP spectrometer through the evaporation of light charged particles and heavier ions detected in the 4{pi} Si-ball Isis. Rear side injection and pulse shape analysis have allowed a good discrimination among protons, alpha particles and heavy ions up to C. Of the several nuclei populated in the reactions we will discuss here the high spin states of {sup 105} Sn. In addition to an extension of the spherical level, scheme, a regular sequence of dipole transitions has been found, The states of the dipole band are suggested to be built on a neutron h{sup 2}{sub 11/2} excitation coupled to proton particle-hole states, which polarize the core to a slightly prolate shape. The experimental results are in agreement with the prediction of tilted axis cranking calculations, which satisfactorily explain the properties of the band. (author) 17 refs., 4 ...

1997-12-31

473

Neutron diffraction study of quasi-one-dimensional spin-chain compounds Ca3Co2-xFexO6

We review results from general relativistic axisymmetric magnetohydrodynamic simulations of accretion in Sgr A*. We use general relativistic radiative transfer methods and to produce a broad band (from millimeter to gamma-rays) spectrum. Using a ray tracing scheme we also model images of Sgr A* and compare the size of image to the VLBI observations at 230 GHz. We perform a parameter survey and study radiative properties of the flow models for various black hole spins, ion to electron temperature ratios, and inclinations. We scale our models to reconstruct the flux and the spectral slope around 230 GHz. The combination of Monte Carlo spectral energy distribution calculations and 230 GHz image modeling constrains the parameter space of the numerical models. Our models suggest rather high black hole spin ($a_*\\approx 0.9$), electron temperatures close to the ion temperature ($T_i/T_e \\sim 3$) and high inclination angles ($i \\approx 90 \\deg$).

2010-01-01

474

Neutrino-Cooled Accretion Disks around Spinning Black Hole

We report the results of the DC magnetization, neutron powder diffraction and neutron depolarization studies on the spin-chain compounds Ca3Co2-xFexO6 (x = 0, 0.1, 0.2 and 0.4). Rietveld refinement of neutron powder diffraction patterns at room temperature confirms the single-phase formation for all the compounds in rhombohedral structure with space group R3-barc. Rietveld refinement also confirms that Fe was doped at the trigonal prism site, 6a (0, 0, 1/4) of Co. The high temperature magnetic susceptibility obeys the Curie-Weiss law; the value of the paramagnetic Curie temperature (?p) decreases as the concentration of iron increases and it becomes negative for x = 0.4. No extra Bragg peak as well as no observable enhancement in the intensity of the fundamental (nuclear) Bragg peaks has been observed in the neutron diffraction patterns down to 30 K. No depolarization of neutron beam has been observed down to 3 K confirming the absence of ferro- or ...

2008-11-01

475

Multi-quasiparticle states in the mass-180 region

We calculate the structure of accretion disks around Kerr black holes for accretion rates 0.001 - 10 M_sun/s. Such disks are plausible candidates for the central engine of gamma-ray bursts. Our disk model is fully relativistic and treats accurately microphysics of the accreting matter: neutrino emissivity, opacity, electron degeneracy, and nuclear composition. The neutrino-cooled disk forms above a critical accretion rate that depends on the black hole spin. The disk has the ``ignition'' radius r_ign where neutrino flux rises dramatically, cooling becomes efficient, and the proton-to-nucleon ratio Y_e drops. Other characteristic radii are r_alpha where most of alpha-particles are disintegrated, r_nu where the disk becomes neutrino-opaque, and r_trap where neutrinos get trapped and advected into the black hole. We find r_alpha, r_ign, r_nu, r_trap and show their dependence on the accretion rate. We discuss the qualitative picture of accretion and present sample ...

2006-01-01

476

Multi-quasiparticle states in the mass-180 region

Nuclei in the mass-180 region have many high-{Omega} single-particle levels close to the Fermi energy and are, therefore, prime candidates for high-K isomers. Since both neutron and proton level densities are rather low, one should expect blocking and particle-number fluctuations to be rather important. We have performed good-particle-number calculations and have shown that the simpler blocked BCS theory gives a good approximation to the multi-quasiparticle spectra if the pairing strength is chosen appropriately. This has allowed us to perform a systematic theoretical study of this mass region. Residual spin-spin interactions are shown to be essential in reproducing the energies and even the correct order of known states. Good agreement has been found for {sup 175}Hf, {sup 176}Hf and {sup 177}Ta, where extensive data already exist. Predictions for new high-K states near the yrast line are made for these nuclei and for {sup 178}W. (orig.).

1995-08-14

477

Mott-Schwinger Scattering of Polarized Low Energy Neutrons up to Thermal Energies

Nuclei in the mass-180 region have many high-#OMEGA# single-particle levels close to the Fermi energy and are, therefore, prime candidates for high-K isomers. Since both neutron and proton level densities are rather low, one should expect blocking and particle-number fluctuations to be rather important. We have performed good-particle-number calculations and have shown that the simpler blocked BCS theory gives a good approximation to the multi-quasiparticle spectra if the pairing strength is chosen appropriately. This has allowed us to perform a systematic theoretical study of this mass region. Residual spin-spin interactions are shown to be essential in reproducing the energies and even the correct order of known states. Good agreement has been found for "1"7"5Hf, "1"7"6Hf and "1"7"7Ta, where extensive data already exist. Predictions for new high-K states near the yrast line are made for these nuclei and for "1"7"8W. (orig.).

478

Measuring the quark contribution to the proton spin through. nu. p yields. nu. p

The availability of new, high-intensity, cold and thermal neutron sources has opened the possibility of performing high-precision fundamental neutron physics experiments, including measurements that study the hadronic weak interaction and standard model test measurements, using neutron decay. The observables in these experiments are usually correlated with the direction of neutron polarization and are often very small (10 8 10 6). Mott-Schwinger scattering of polarized neutrons can produce spin-dependent shifts in beam centroids, which has the potential to produce significant systematic effects for these types of experiments. An accurate calculation of this process for neutral atoms and basic molecules has not been carried out for low neutron energies. In this work, we derive a general expression for the electromagnetic (Mott-Schwinger) contributions to the analyzing power for low-energy neutron scattering. We obtain numerical results for 11 nuclei in the range of ...

2008-10-01

479

Magnetic resonance imaging in patients with heart valve prostheses

The LSND (Liquid Scintillator Neutrino Detector) experiment will be performed at LAMPF in the next several years. The main goal of the experiment is to search for {nu}{sub {mu}}-{nu}{sub e} oscillations with high sensitivity; however, an increasingly important by-product of this search is to measure {nu}p {yields} {nu}p elastic scattering and determine the strange quark contribution, {Delta}s, to the spin of the proton. With the 800-MeV proton energy of LAMPF, neutrinos are produced from pion decay-in-flight with an average energy of about 150 MeV. This energy is sufficiently high so that the {nu}p {yields} {nu}p cross section is large and is sufficiently low so that the low Q{sup 2} approximation (Q{sup 2} {much lt} m{sub p}{sup 2}) is valid and the cross section can be expressed in a simple form dependent upon {Delta}s as the only unknown. LAMPF with its 1-mA proton intensity is, therefore, an ideal accelerator to perform this measurement. 12 refs., 7 figs., 2 ...

1991-01-01

480

Magnetic nanoparticle detection using nano-SQUID sensors

Artifical valve prostheses are often regarded as a contraindication for magnetic resonance imaging (MRI), although preliminary in vitro studies suggested, that patients with these metallic implants might safely undergo MR examination. This study reports on the experience with a group of 89 patients with 100 heart valve prostheses who were examined by spin-echo MR and gradient-echo MR. MR examination was performed in all patients without complications. The spin-echo sequence showed advantages in the depiction of anatomical structures like paravalvular abcesses. Anatomical structures adjacent to the artificial valve were clearly visivle and the metal components of the valves showes no or only small artifacts. Artifacts were accentuated when using gradient-echo sequences. Gradient-echo sequences provided valuable information regarding the presence of valvular insufficiency. Physiological valvular regurgitation was easy to differentiate from ...

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25

481

MRT versus CT in the diagnosis of pneumonia. Evaluation of a T_2-weighted utrafast turbo-spin-echo sequence (UTSE)

We demonstrate detection of a single core-shell magnetite-silica nanoparticle (outer diameter #approx#120 nm, moment #approx#10"4#mu#_B) using an Nb dc superconducting quantum interference device (SQUID) with the loop size of 350 nm operational at T < 10 K. The system noise was minimized down to 0.2 #mu##PHI#_0 Hz"-"1"/"2 using a cryogenic SQUID series array pre-amplifier. Initial measurements of an individual magnetic nanoparticle were performed and a clear change of the noise spectra of the nano-SQUID was detected at low frequencies in the presence of the nanoparticle. Similar behaviour was confirmed with an FePt nanoparticle with a larger magnetic moment (diameter #approx#150 nm, moment #approx#10"6#mu#_B). Thus, we demonstrate a magnetic sensor based on a dc nano-SQUID and enabling detection of small moments (potentially down to a few electron spins). Such a sensor is of considerable significance for nanomagnetic metrology and quantum information processing ...

2010-12-01

482

Lymph node staging in cervical carcinoma: Results of high resolution MRT with phased-array coil

Purpose: To evaluate a T_2-weighted URSE sequence for the assessment of pulmonary infiltrations in comparison to CT. Methods: 28 MRT scans of 22 patients with confirmed pneumonia were recorded on a 1.5 Tesla apparatus with an expiratory and diastolic triggered, T_2-weighted ultrafast-spin-echo sequence in axial slice mode with the following parameters: TR_e_f_f/T_E/Turbofactor 2000-4000/90 ms/21-23; slice thickness/separation 6/0.6 mm; FOV 360 mm; 24 slices. 24 spiral CTs (sice thickness/table advance: 1-2 mm/10 mm) were available for comparison. The separate evaluation of MRTs and CTs was performed by three radiologists in a consensus procedure with regard to pulmonary lesions (e.g., infiltration, round foci, net patterns) and image quality of the MRTs (4-step scale). Results: In 71% of the cases the CTs and MRTs agreed with the diagnosis and representation of the lesions, in 25% MRT was superior. MRT was better for the detection of pulmonary abscesses. In 93% the ...

1999-05-01

483

Investigation of novel organic n-type semiconductors in photovoltaic bulk heterojunction

Purpose: To determine the diagnostic value of high resolution MR imaging with a circularly polarised (c.p.) body phased-array coil for the staging of pelvic lymph nodes in cervical carcinoma. Material and methods: 42 patients with histologically proven carcinoma of the cervix were studied on a 1.5 T scanner by using a c.p. body phased-array coil. The imaging protocol included T_2-weighted turbo-spin-echo (TSE) and T_1-weighted spin-echo sequences pre and post IV application of Gd-DTPA; slice thickness was 5-7 mm and pixel size 0.53 mm"2. Lymph nodes with a diameter of #>=#8 mm were considered to have metastatic involvement. MR imaging results were compared with histopathologic findings. Results: MR imaging showed enlarged lymph nodes (#>=# 8 mm) in 16 of 18 patients with histologic proof of lymph node metastases (sensitivity 89%). In 22 of 24 cases MR findings were true negative (specificity 92%). Diagnostic accuracy was 91%. Conclusion: ...

484

Interaction of 8 MeV /sup 12/C with /sup 88/Sr; neutron transfer, inelastic scattering and spin alignment of the 2/sup +/ state of /sup 12/C

Two novel organic n-type semiconductors are investigated due to their function as electron acceptor for applications in organic electronic devices to widen the knowledge of how molecule structure influences the excitation processes in organic electronics. Bispyrenylfullerene and Octadecyl-Capronacidesterfullerene are C{sub 60} derivates with sidechains more featured compared to the commonly used[6,6] phenyl-C{sub 61}-butyric acid methyl ester (PCBM). In bulk heterojunction devices regioregular poly(3-hexylthiophene) (P3HT) was used as donor. The materials, pristine and in blend, were studied in view of light absorption, their quenching abilities of the P3HT photoluminescence as well as excited states. Furthermore, the spin state of the excited states was determined by light-induced electron spin resonance. Combining these complimentary experimental techniques, we obtained information on the generation of excited states, their nature, and the ...

2009-07-01

485

Inelastic Neutron Scattering on an Mn10 Supertetrahedron: Assessment of Exchange Coupling Constants, Ferromagnetic Spin Waves and an Analogy to the Hckel Method

Using a Q3D magnetic spectrometer the elastic and inelastic scattering of /sup 12/C on /sup 88/Sr and the neutron pick-up (/sup 12/C, /sup 13/C) has been studied. The spin alignment of the inelastically excited 2/sup +/ state of /sup 12/C (4.43 MeV) has been deduced from the line shapes broadened by the ..gamma..-decay in flight. Thus for each m-substate a full angular distribution was obtained. The m = 1 substate shows a shifted interference minimum, which is explained by the different strength of the Coulomb and nuclear amplitudes in the m-substates. The analysis of the data on elastic scattering, inelastic scattering, alignment and the neutron transfer can be described consistently with one choice of the optical model parameters.

1982-04-01

486

British Library Electronic Table of Contents (United Kingdom)

Abstract The synthesis, crystal structure and magnetic characterisation by magnetisation and inelastic neutron scattering (INS) of a mixed-valent Mn10 supertetrahedral aggregate [MnIII6MnII4(4-O)4(3-N3)3(3-Br)(Hmpt)6(Br)]Br0.7(N3)0.3-2-MeOH-3-MeCN (1) (H3mpt=3-methylpentan-1,3,5-triol) is reported. The magnetic core of the molecule can be described as an octahedron of six S=2 MnIII ions with four faces, each capped by a S=5/2 MnII ion such as to form the supertetrahedron. Unlike most related complexes, the molecular symmetry is slightly reduced from approximately Td to C3. The magnetic data reveal a total spin of S=22 in the ground state due to ferromagnetic exchange couplings within the molecule. The combined INS and magnetic data permits the accurate determination of the exchange couplin...

2011-01-01

487

Hydroxyl radical formation by UV-irradiated epidermal cells

High field ESR of P-doped Si for Quantum Computing Application

To elucidate the mechanism of sunlight-induced skin damage, guinea pigs exposed to UV light (280-320 nm, UV B, 4J/cm"2) and a homogenate of the epidermis was examined by means of the thiobarbituric acid (TBA) test. Three hours after the exposure, TBA-malondialdehyde adducts had increased while glutathione reductase activity had decreased, indicating lipid peroxidation. To detect the initial species, spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) was applied to a suspension of illuminated epidermal cells (0.5 J/cm"2). An ESR signal obtained only with irradiation comprised a 1 : 2 : 2 : 1 quartet [a (N) =a (#beta#H) =1.49 mT] attributable to a spin adduct of hydroxyl radicals. These results suggest that sunlight exposure of skin may lead to hydroxyl radical generation and simultaneous lipid peroxidation. (author).

488

Electronic topological transition in zinc metal? A "6"7Zn-Moessbauer investigation

We measured ESR of phosphorous-doped silicon with a low concentration of P, n, at high magnetic fields and low temperatures to investigate the states of nuclear spin. A sample with n = 6.52 x 10{sup 16} /cm{sup 3} was studied at 2.85 T (80 GHz) from 30 K to 2.3 K by field-modulating cw-ESR for a fixed 0 dB power. As the temperature was lowered, the out-of-phase signal appeared around 18 K, reached at a maximum intensity at 13 K, and disappeared around 6 K. The out-of-phase signal is referred to the field modulation. The in-phase signal started to change from the derivative of absorption spectrum at high temperatures to absorption-like shape around 15 K and asymmetry of intensity for two peaks of hyperfine-separated signals increased as temperatures was lowered. Below 10 K, the saturation of the in-phase signal started to appear. We speculate that the asymmetry is caused by saturation effect and dynamic nuclear polarization of {sup 31}P nuclear ...

2009-02-01

489

Electron spin resonance probe for the solvation of ionomer membranes and other microscopically heterogeneous systems. Cu[sup 2+] in nafion, sephadex and silica gel

The question concerning the existence of an electronic topological transition (ETT) in Zn metal under quasi-hydrostatic pressure at #approx#6.6 GPa caused a considerable controversy in the literature. We briefly review low-temperature "6"7Zn-Moessbauer data and scalar-relativistic augmented plane wave calculations and give a consistent interpretation in terms of an ETT. To highlight some important aspects of the controversy two theoretical and two experimental publications will be discussed in more detail. At present the existence of an ETT in Zn metal is disputed both from an experimental and from a theoretical point of view. The suggestion of a transition to a commensurate spin-density wave at #approx#6.6 GPa instead of an ETT may reconcile the seemingly contradictory results of "6"7Zn-Moessbauer experiments at 4.2 K and of room temperature inelastic neutron scattering measurements. However, it does not explain the anomalies found in theoretical calculations ...

2000-11-01

490

Electron spin resonance investigation of Mn^{2+} ions and their dynamics in manganese doped SrTiO_3

Cu[sup 2+] is a sensitive electron spin resonance (ESR) probe for the penetration of various polar solvents in membranes made of Nafion and as an indicator for the replacement of one solvent by another. The ESR parameters (g and [sup 63]Cu hyperfine tensors) can be translated into a structure of the solvent around the cation. The replacement of a solvent in the membrane by another depends on the polarity of the two solvents. The solvent with the largest dielectric constant, N-methylformamide (NMF), can be replaced by water but not by methanol or acetonitrile (dielectric constants 182, 78.5, 32.7, and 37.5, respectively). Preferential solvation of the cation by water in three water/acetonitrile mixtures (9:1, 1:1, and 1:9 by volume) in contact with silica gel, Sephadex, and Nafion has been observed in various degrees. Nafion is most selective, followed by Sephadex and by silica gel. The selectivity appears to be related to electrostatic interactions which are ...

1992-01-01

491

Direct observation of ordered orbital of YTiO_3 by the X-ray magnetic diffraction technique

Using electron spin resonance, lattice position and dynamic properties of Mn2+ ions were studied in 0.5 and 2 % manganese doped SrTiO3 ceramics prepared by conventional mixed oxide method. The measurements showed that Mn2+ ions substitute preferably up to 97 % for Sr if the ceramics is prepared with a deficit of Sr ions. Motional narrowing of the Mn2+ ESR spectrum was observed when temperature increases from 120 K to 240-250 K that was explained as a manifestation of off-center position of this ion at the Sr site. From the analysis of the ESR spectra the activation energy Ea = 86 mV and frequency factor 1/?0 ? (2-10)x10^(-14) 1/s for jumping of the impurity between symmetrical off-center positions were determined. Both values are in agreement with those derived previously from dielectric relaxation. This proves the origin of dielectric anomalies in SrTiO3:Mn as those produced by the reorientation dynamics of Mn2+ dipoles.

2007-01-01

492

DNA alterations photosensitized by tetracycline and some of its derivatives

X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO_3 for the first time. The orbital-magnetic form factor #mu# _L(k) and the spin-magnetic form factor #mu# _S(k) were independently measured by utilizing the LS separation ability of the XMD. The #mu# _L(k) was measured for ten reciprocal-lattice points. No significant values of the #mu# _L(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The #mu# _S(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the #mu# _S(k) gave the spin density distribution m _S(r) in the real space. The obtained m _S(r) map shows the characteristic feature of the electron distribution of 3d electron in the t_2_g state of a Ti atom coordinated by O"2"- ions, in which the electrons are distributed away from the negative O"2"- ions. It is concluded ...

2005-08-01

493

Comparison of contrast-enhanced flash and turbo-flash with conventional spin-echo sequences as a basis for morphologocal MR imaging for planning high-precision radiotherapy of intracranial brain tumors. Comparison of FLASH-, turbo-FLASH and SE-sequences; Morphologische MR-Bildgebung mit T1-gewichteten Sequenzen zur radiotherapeutischen Zielvolumendefinition von intrakraniellen Tumoren. Vergleich von FLASH-, Turbo-FLASH- und SE-Sequenzen

Bacteriophage M13 mp10 DNA were irradiated with near-UV light in the presence of tetracycline derivatives and primed with synthetic oligonucleotide to be used for DNA synthesis using Escherichia coli DNA polymerase. Chain terminations were observed by denaturing polyacrylamide gel electrophoresis and mapped precisely. All the synthesis stops occurred before or at the level of guanine residues, showing that the photoreaction mediated by tetracycline derivatives led to a preferential alteration of guanine residues. These lesions were demonstrated to be induced in DNA through a pathway involving singlet oxygen. Tetracycline derivatives also photoinduced the breakage of the DNA sugar-phosphate backbone monitored by the conversion of supercoiled phi X174 DNA to a relaxed form. This lesion was shown to be initiated by hydroxyl radicals. The production of this free radical has been confirmed by electron paramagnetic resonance (EPR) spin trapping experiments using ...

1986-06-01

494

Anisotropy in Magnetic Properties and Electronic Structure of Single Crystal LiFePO4

Introduction: The goal of this study was to compare contrast-enhanced T1-weighted Flash and Turbo-Flash sequences with conventional spin-echo sequences as a basis for planning high-precision radiotherapy. Methods: A total of 25 consecutive patients with different intracranial tumors and a disrupted blood-brain barrier were studied. T1-weighted Flash, Turbo-Flash and conventional spin-echo images were evaluated after controlled 30-s infusion of 0.1 mmol/kg body weight of Gd-DTPA. The evaluation of the three sequences included the measurement of the signal- and contrast-to-noise ratios, the visual inspection of the tumors and artifacts, and the measurement of tumor size. Results: The signal- and contrast-to-noise ratios were significantly (P<0.05-0.01) lower for Flash and Turbo-Flash than for conventional spin-echo sequences. However, visual inspection of the contrast-enhancing tumors revealed in 23 and 24 of 25 lesions of ...

1997-03-01

495

A new application of MRT of the lung using ultra-shot turbo spin echo sequences (UTSE)

We report the experimental and theoretical results on the anisotropies in the magnetic properties and x-ray absorption spectra of single-crystal LiFePO4. A mean-field theory is developed to explain the observed strong anisotropies in Lande g-factor, paramagnetic Curie temperature, and effective moment for LiFePO4 single crystals. The values of the in-plane nearest- and next-nearest-neighbor spin exchange (J1 and J2), interplane spin exchange (J{perpendicular}), and single-ion anisotropy (D), obtained recently from neutron scattering measurements, are used for calculating the Curie temperatures with the formulas derived from the mean-field Hamiltonian. It is found that the calculated Curie temperatures match well with that obtained by fitting the magnetic susceptibility curves to the modified Curie-Weiss law. For the polarized Fe K-edge x-ray absorption spectra of single-crystal LiFePO4, a different feature assignment for the 1s4p transition ...

2008-01-01

496

Neutron diffraction study of 5f itinerant antiferromagnet UPtGa{sub 5} and UNiGa{sub 5}

T_2 weighted ultra-short turbo spin echo sequences were used in five individuals with variations in echo times, delayed triggering and echo intervals. To reduce movement artifacts all examinations were carried out with ECG and respiratory triggering. The sequences giving optimal image quality were then employed in 19 patients having various pulmonary abnormalities. Image resolutions, artifacts, image contrasts and diagnostic value were then judged by two observers and compared with CT. In the first study, a diastole-triggered UTSE sequence with the shortest echo proved optimal (T_E=90 ms, T_R=2-4 s, echo=9 ms, turbo factor=19). In the patient series studied, MRT was inferior to CT with regard to resolution and number of artifacts, but better in respect of contrast and diagnostic value. Using UTSE of the lung, MRT can produce images of good quality. Compared with CT, contrast is better with MRT, offering diagnostic advantages for MRT. (orig./MG).

497

In vitro investigation of biological and technical prosthetic heart valves in MRI: evaluation of possible deflection and heating of the implants; In-vitro-Untersuchung von biologischen und technischen Herzklappenprothesen im MRT: Beurteilung moeglicher Anziehung und Erhitzung der Implantate

Magneto-striction and magnetic form factors in 5f itinerant antiferromagnets UNiGa{sub 5} and UPtGa{sub 5} are studied by means of neutron scattering. Remarkable magneto-striction was observed around T{sub N}, indicating large spin-orbit coupling in the itinerant system. The orbital magnetic moment is found to be strongly suppressed due to the hybridization of uranium 5f with Ga-4p electron.

2003-05-01

498

Distribution amplitudes of {sigma} and {lambda} and their electromagnetic form factors

Purpose: In vitro evaluation of possible deflection and heating of present-day prosthetic heart valves, 12 technical and 5 biological, were investigated using a 1.5 Tesla Siemens Vision system. Deflection was measured at the edge of a 1.5 Tesla superconducting magnet. Each valve was then submerged in a vial of a 1/1 electrolyte solution and temperature was measured before and after imaging with a turbo-spin-echo sequence (TR 5200 ms, TE 138 ms, Flip angle 180 C, acquisition time 10.5 minutes, length of echo train 29). MR imaging was performed with phase encoding parallel and perpendicular to the plane of the valves. Results: None of the investigated prosthetic heart valves was deflected. The maximal observed temperature rise was 0.5 C. During MR investigation of the prostheses, artifacts caused by metallic parts were less evident using a spin-echo sequence than a gradient-echo sequence. Conclusions: Patients with the tested present-day ...

2000-02-01

499