WorldWideScience
1

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

UK PubMed Central (United Kingdom)

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

2

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

International Nuclear Information System (INIS)

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 molecules, whose ...

3

Glass Transition Behaviors of Ethylene Glycol-Water Solutions Confined within Nano-Pores of Silica Gel  

Science.gov (United States)

Enthalpy relaxation properties of the ethylene glycol (EG) aqueous solutions confined within silica-gel void spaces of 1.1 nm in the average void thickness and 6, 12 and 52 nm in their average diameters were examined by an adiabatic calorimetry to understand the glass transition behavior of the solutions and the rearrangement processes of the molecules. The glass transition temperature Tg of EG was found to decrease with adding the water molecules which are mobile under the condition lacking in the full hydrogen-bond network. Meanwhile, the Tg in the water-rich region showed a rise towards pure water; after a phase separation in a 25 mol% (x = 0.25) EG solution, the Tg was 160 K which was higher than that derived by extrapolating the composition dependence to pure water. The Tg = 160 K is the same as observed in the pure ...

2008-02-01

4

Near Infrared-Fluorescent and Magnetic Resonance Imaging Molecular Probe with High T1 Relaxivity for In Vivo Multimodal Imaging  

UK PubMed Central (United Kingdom)

A new gadolinium chelating NIR fluorescent molecular probe increases T1 relaxivity of water protons, facilitating combined optical and magnetic resonance imaging.

2010-06-07

5

Vibrational relaxation of a triatomic molecular impurity: D{sub 2}O in vitreous As{sub 2}S{sub 3}  

Energy Technology Data Exchange (ETDEWEB)

Measurements of the relaxation of the D{sub 2}O stretch mode in vitreous As{sub 2}S{sub 3} are presented. Because the bending mode of the molecule offers an intra-molecular decay channel for the stretch mode, the decay scheme of the D{sub 2}O molecule is more complex than that of diatomic molecules. The asymmetric stretch mode of D{sub 2}O has a frequency of 2680 cm{sup -1}. To study the relaxation of this mode we applied a pump-probe technique, using intense psec; pulses of the Stanford Free Electron Laser. Due to the small cross-section of the vibrational mode, successful efforts were made to improve the signal to noise ratio by using a laser stabilization system and a tightly focused beam to increase the intensity, by averaging the signal with a kHz repetition rate and by using samples with an optimized D{sub 2}O concentration. A rapid relaxation rate on the ...

1995-12-31

6

Study of vibrational relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method  

Energy Technology Data Exchange (ETDEWEB)

The authors attemps to confirm a modification of the phase-absprotion method applicable to the study of the decay rate of energy stored in the upper level in the active medium of a CO/sub 2/-laser. The essence of the method is described. Relationships are determined which allow one to obtain the unknown parameters of the experimentally measured phase shift. The work exeprimentally shows the possibility of studying vibratioanl relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method using both ordinary and isotope-substitued molecules.

1986-09-01

7

Menstrual variation of breast volume and T{sub 2} relaxation times in cyclical mastalgia  

Energy Technology Data Exchange (ETDEWEB)

Purpose: Hormonal activity causes breast volume to change during the menstrual cycle. One possible cause of this volume change is thought to be due to water retention or oedema within the tissues. We used magnetic resonance imaging (MRI) to study the variation in breast volume and {sup 1}H Magnetic Resonance Spectroscopy (MRS) to measure T{sub 2} relaxation times which are known to increase with increasing tissue water content. We hypothesised that an increase in breast volume will elevate T{sub 2} relaxation due to the presence of an increased water content within the breast. T{sub 2} Relaxation time and volume were studied in fifteen control subjects and in a cohort of eight patients with cyclical mastalgia in order to determine whether changes in breast volume and T{sub 2} relaxation times differed in controls and patients during menses, ...

2008-02-15

8

Why the negative corona current in air decreases?  

International Nuclear Information System (INIS)

The time dependence of negative corona current I, called by Gagarin like 'relaxing of CV-characteristics', is a observed phenomena. The observed phenomena was explained by two theoretical models considering the ion-molecule and chemical reactions in the negative corona discharges in air, especially the ozone production. In the presented paper the discrepancies of above mentioned models, re-examination the earlier experimental data and presumptions used in models in a light the latest experimentally confirmed facts are discussed.

1996-08-01

9

Calculation of the hyperfine constants of the V sub (K) center in CaF_2, SrF_2 e BaF_2  

International Nuclear Information System (INIS)

The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

2004-06-02

10

Quantum simulation of molecular interaction and dynamics at surfaces  

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

2011-01-01

11

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

2004-12-15

12

Gas chromatographic, quentum-chemical, and molecular statistical studies of cluster adsorption of water and methanol molecules on hydrophilic surface sites of hydrophobic adsorbents  

British Library Electronic Table of Contents (United Kingdom)

The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...

2008-01-01

13

Role of HCl in adsorption of elemental mercury vapor by calcium-based sorbents. Report for September 1998--May 1999  

Energy Technology Data Exchange (ETDEWEB)

The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a ...

1999-11-01

14

Role of HCl in adsorption of elemental mercury vapor by calcium-based sorbents. Report for September 1998--May 1999  

Energy Technology Data Exchange (ETDEWEB)

The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a ...

1999-01-01

15

Study of protein-protein interactions in under saturated and supersaturated lysozyme solutions in heavy water as a function of temperature; Etude des interactions proteine-proteine en solutions sous-saturees et sursaturees de lysozyme dans l`eau lourde en fonction de la temperature  

Energy Technology Data Exchange (ETDEWEB)

We have studied freshly prepared lysozyme solutions in heavy water for two NaCl concentrations as a function of temperature. Lysozyme solubilities in this solvent are determined by static light scattering. By small angle neutron scattering, we evidence that interactions between lysozyme molecules are characterized by a second virial coefficient A{sub 2} whether the solution is under-saturated or supersaturated. From the variation of A{sub 2} as a function of temperature we have evaluated the enthalpy corresponding to the interaction between lysozyme molecules. We show that the interactions between protein molecules are higher in heavy water than in light water. (authors). 13 refs., 3 figs.

1996-04-01

16

Relaxation and corrosion resistance of alloy 800 used for steam generator tubes of ship borne boilers  

Energy Technology Data Exchange (ETDEWEB)

The INCO ``INCOLOY 800`` trademark groups the Fe-Cr-Ni alloys containing 30 to 35% nickel, 19 to 23% chromium, 0,15 to 0,60% aluminium, 0,15 to 0,60% titanium and less than 0,10% carbon contents, used as construction materials for condenser and heat exchanger tubes. In parallel with water chemistry control and studies aimed at reducing the residual stresses resulting from tube expansion, studies have been conducted to a better understanding of this alloy, its metallurgy and its corrosion behaviour under accurately defined fabrication and heat treatment conditions. The purpose of this paper is to present the results of a behaviour study of INDRET alloy 800 concerning isothermal relaxation and effects of the said relaxation heat treatments on alloy microstructure studied with a transmission electron-chemical method to determine the sensitiveness to intergranular corrosion, and by electrochemistry in pressurized hot ...

1994-12-31

17

Surface activity at the planar interface in relation to the thermodynamics of intermolecular interactions in the ternary system: maltodextrin-small-molecule surfactant-legumin.  

Science.gov (United States)

We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest ...

2001-07-01

18

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  

UK PubMed Central (United Kingdom)

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

19

Computational study of non-stationary cluster size distribution and rate of nucleation in case of pre-existing clusters  

International Nuclear Information System (INIS)

The dynamics of a cluster-type system formed by constant total number of molecules, M, is studied when clusters change their sizes by nearest-size transitions (the Szilard model) with time-dependent boundary conditions and non-zero initial cluster size distribution. We compare these results to those reported previously, when non-stationary cluster size distribution was considered under the condition that only monomers are present in the system at the initial moment t=0, and describe the effect of arbitrary pre-existing clusters on the time evolution of the interacting clusters with different sizes, n. The average group size problem is also solved, and the process of relaxation in the system is studied. authors)

20

Laser-Cooling of Liquid Water by the Ar-Xe Laser Radiation  

CERN Document Server

An effect of laser-cooling of water was observed for the first time with a temperature decrease dT = -2.2 K after irradiation of liquid water surface by a powerful Ar-Xe pulse laser with a pulse energy of about 1 J and wavelength L = 1.73, 2.63 and 2.65 um. The discovered effect can apparently be ascribed to the optical excitation of vibrational states of H2O molecules followed by an endothermic consolidation of chemically active excited molecules into a quasi-stable cluster-like structure. The measured time dependences of the cooling effect show that a typical life time of the new state of water amounts to hours. It has also been shown that the life time of the excited vibrational molecular states due to a radiation trapping effect can be estimated to at least hundreds of seconds.

2010-01-01

21

Formation of complex Langmuir and Langmuir-Blodgett films of water soluble rosebengal  

British Library Electronic Table of Contents (United Kingdom)

This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...

2007-01-01

22

Thermally cleavable surfactants  

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

2009-09-29

23

Thermally cleavable surfactants  

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

2009-11-24

24

Thermally cleavable surfactants  

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments and the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

2006-04-04

25

Functionalized luminescent oxide nanoparticles for sodium channel imaging at the single molecule level  

Science.gov (United States)

Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.

2005-04-01

26

Quantum-chemical investigation of mechanism of dehydroxylation of crystalline and amorphous aluminosilicates  

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

1986-07-01

27

Molecular-beam/surface-science apparatus for state-resolved chemisorption studies using pulsed-laser preparation  

International Nuclear Information System (INIS)

We describe a new apparatus that combines pulsed laser excitation in a molecular beam with surface-science methods for preparation of clean single-crystal surfaces and detection of adsorbates to enable state-selected studies of gas-surface reaction dynamics. Reactant molecules are prepared in specific vibrationally excited states via overtone pumping using tunable, narrow-band laser radiation. The collision-free environment of the molecular beam prevents relaxation of the prepared molecules before impact on the target surface and enables complete control over the collision energy and incidence angle. Chemisorption products are detected after a given deposition time by Auger electron spectroscopy. To achieve sufficient beam flux of state-selected reactant molecules for product detection by standard surface-science techniques, we use a high-intensity, short-pulse molecular-beam source matched to the low ...

2003-09-01

28

Effect of vasopressin on ependymal and capillary permeability to tritiated water in cat  

Energy Technology Data Exchange (ETDEWEB)

Ependymal cells line the cerebral ventricles forming the interface that separates the cerebrospinal (CSF) and interstitial fluids (ISF). Extracellular molecules move between ependymal cells, whereas lipid soluble molecules pass both between and through cells. We measured the transfer of tritiated water (TOH) from CSF to blood across the ependymal and capillary interfaces by ventriculocisternal (VC) steady-state tissue clearance. Adult cats anesthetized with pentobarbital sodium underwent VC perfusion with the extracellular marker (/sup 14/C)sucrose and TOH added to the artificial CSF. Brain tissue was analyzed for depth of penetration of the isotopes into periventricular gray matter. We found that TOH distribution space was lower than expected from water content measurements, whereas sucrose space was normal. Using VC steady-state equations we calculated an ependymal permeability that was similar to the ...

1986-09-01

29

Monolayers at air-water interfaces: from origins-of-life to nanotechnology  

British Library Electronic Table of Contents (United Kingdom)

Abstract The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers a...

2011-01-01

30

Shear rigidity of spread stearic acid monolayers on water  

Energy Technology Data Exchange (ETDEWEB)

The effect of Al/sup 3 +/, Fe/sup 3 +/, Ca/sup 2 +/, and Mg/sup 2 +/ ions and of pH on the two-dimensional shear modulus of stearic acid spread on a water substrate was determined. A large shear modulus was displayed by the films when the subphase contained Al/sup 3 +/ and Fe/sup 3 +/ ions at the self-buffered pH. With Fe/sup 2 +/ dissolved in the subphase, the film displayed a viscous relaxation when strained but no residual stress was observed. No effect was observed with the Ca/sup 2 +/ or Mg/sup 2 +/. Reducing the pH value in the subphase with the trivalent ions caused the shear modulus to disappear. The observations are interpreted in terms of hydrogen bonding.

1981-09-15

31

Polymers and paper as packaging materials of irradiated food  

International Nuclear Information System (INIS)

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

32

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

Energy Technology Data Exchange (ETDEWEB)

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

33

Water consumption during solid state sodium borohydride hydrolysis  

Energy Technology Data Exchange (ETDEWEB)

In this paper nickel acetate catalyzed sodium borohydride cartridges have been prepared and hydrolyzed with water for hydrogen production. Two technological solutions have been tested to increase the overall hydrogen yield, namely a porous water diffuser and a hydrophobic membrane. The first was used to improve water diffusion inside the hydride while the second to confine water inside the cartridge. The generated hydrogen flow showed a very reproducible behavior. Hydrogen promptly evolved just after water was pumped into the cartridge. After some initial peaks, a constant hydrogen flow has been recorded for the whole reaction time. The constant flow was related to the presence of the porous diffuser. The use of a hydrophobic membrane to confine the water inside the cartridge allowed to increase the overall hydrogen yield: about 6 water ...

2010-11-15

34

Flash pyrolysis of coal-solvent slurry prepared from the oxidized coal and the coal dissolved in solvent; Ichibu yokaishita sanka kaishitsutan slurry no jinsoku netsubunkai  

Energy Technology Data Exchange (ETDEWEB)

In order to develop a high-efficiency coal pyrolysis method, flash pyrolysis was experimented on slurry prepared by using liquid-phase oxidation reformed coal and a methanol-based solvent mixture. Australian Morwell coal was used for the experiment. The oxidized coal, into which carboxyl groups have been introduced, has the condensation structure relaxed largely, and becomes highly fluid slurry by means of the solvent. Char production can be suppressed by making the oxidation-pretreated coal into slurry, resulting in drastically improved pyrolytic conversion. The slurry was divided into dissolved solution, dried substance, extracted residue, and residual slurry, which were pyrolized independently. The dissolved solution showed very high conversion. Improvement in the conversion is contributed by separating the dissolved substances (coal macromolecules) at molecular levels, coagulating the molecules, suppressing cross-link formation, and ...

1996-10-28

35

Ammonia adsorption on the C_3_0B_1_5N_1_5 heterofullerene: DFT study of nuclear magnetic shielding and electric field gradient tensors of N and B nuclei  

International Nuclear Information System (INIS)

Ammonia adsorption on the external surface of C_3_0B_1_5N_1_5 heterofullerene was studied using density functional calculations. Three models of the ammonia-attached C_3_0B_1_5N_1_5 together with the perfect model were optimized at the B3LYP/6-31G"* level. The optimization process reveals that dramatic influences occurred for the geometrical structure of C_3_0B_1_5N_1_5 after ammonia adsorption; the B atom relaxes outwardly and consequently the heterofullerene distorts from the spherical form in the adsorption sites. The chemical shielding (CS) tensors and nuclear quadrupole coupling constants of B and N nuclei were calculated at the B3LYP/6-311G"*"* level. Our calculations reveal that the B atom is chemically bonded to NH_3 molecule. The B atom in the NH_3-attached form has the largest chemical shielding isotropic (CSI) value among the other boron nuclei. The C_Q parameters of B nuclei at the interaction sites are significantly decreased after ...

2011-04-01

36

T{sub 1} and T{sub 2} relaxivities of succimer-coated MFe{sub 2}{sup 3+}O{sub 4} (M=Mn{sup 2+}, Fe{sup 2+} and Co{sup 2+}) inverse spinel ferrites for potential use as phase-contrast agents in medical MRI  

Energy Technology Data Exchange (ETDEWEB)

Superparamagnetic MFe{sub 2}{sup 3+}O{sub 4} (M=Mn{sup 2+}, Fe{sup 2+} and Co{sup 2+}) inverse spinel ferrite (ISF) nanoparticles with narrow size distribution having average diameters of 6-8 nm were synthesized by a diol reduction of organic metals and the surface was modified to be hydrophilic by coating with succimer. Magnetic resonance imaging (MRI) contrast enhancement by dipolar coupling defined interactions between the synthesized ISFs and protons in the bulk water was investigated with initial susceptibility, magnetization and anisotropy of the succimer-coated ISFs. The relaxivity ratios, r{sub 2}/r{sub 1}, for MnFe{sub 2}O{sub 4}, Fe{sub 3}O{sub 4} and CoFe{sub 2}O{sub 4} were measured to be 12.2, 23.1 and 62.3, respectively, which demonstrate the potential usefulness of these magnetic nanoparticles as T{sub 2} contrast agents for MRI.

2009-12-15

37

T1 and T2 relaxivities of succimer-coated MFe23+O4 (M=Mn2+, Fe2+ and Co2+) inverse spinel ferrites for potential use as phase-contrast agents in medical MRI  

International Nuclear Information System (INIS)

Superparamagnetic MFe23+O4 (M=Mn2+, Fe2+ and Co2+) inverse spinel ferrite (ISF) nanoparticles with narrow size distribution having average diameters of 6-8 nm were synthesized by a diol reduction of organic metals and the surface was modified to be hydrophilic by coating with succimer. Magnetic resonance imaging (MRI) contrast enhancement by dipolar coupling defined interactions between the synthesized ISFs and protons in the bulk water was investigated with initial susceptibility, magnetization and anisotropy of the succimer-coated ISFs. The relaxivity ratios, r2/r1, for MnFe2O4, Fe3O4 and CoFe2O4 were measured to be 12.2, 23.1 and 62.3, respectively, which demonstrate the potential usefulness of these magnetic nanoparticles as T2 contrast agents for MRI.

2009-12-01

38

Rayleigh scattering of Moessbauer radiation in hyaluronate oriented fibres  

Energy Technology Data Exchange (ETDEWEB)

The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.

1996-02-01

39

Adsorption and dissociation of water on the (0001) surface of double hexagonal close packed americium  

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH ...

2009-06-01

40

A precise structure redetermination of nickel ammonium sulfate hexahydrate, Ni(H_2O)_6.2NH_4.2SO_4  

International Nuclear Information System (INIS)

The Ni(H_2O)_6 ion is located at an inversion center. Six octahedral water molecules surround the Ni"I"I ion and form hydrogen bonds with the sulfate groups. Each ammonium group binds to the sulfate groups through hydrogen bonds. (orig.).

1994-05-01

41

Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane  

Energy Technology Data Exchange (ETDEWEB)

We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with experiment. The results provide quantitative ...

2010-11-04

42

Raman spectroscopic studies of liquid phase ordering and dynamics for solutions of ME6N liquid crystal: the approach to simple molecule behavior at high dilutions.  

Science.gov (United States)

We have measured the Raman isotropic profiles of the ?(C?N) band at 2235 cm(-1) for five solutions of ME6N (4-cyanophenyl-4'-hexylbenzoate) liquid crystal dissolved in CCl(4) in the range from x = 0.12 to 0.007 (x, mole fraction of ME6N) and then obtained the corresponding vibrational correlation functions, C(v)(t), by time Fourier transformation. The increase with dilution of the dephasing times ?(v) complies with the behavior of the nonmonotonic concentration dependence predicted by the fluctuation concentration model for this concentration range (x Rothschild, which, being based on the assumption that the environmental modulation is described by a stretched exponential decay e(-(t/?(0))(?)), is more appropriate for the interpretation of the vibrational correlation function arising from a distribution of relaxation processes caused, as in the present case, by the persistence of pseudonematic domains. With dilution the dispersion parameter ? and the average ...

2010-11-11

43

Autogenous electrolyte, non-pyrolytically produced solid capacitor structure  

Energy Technology Data Exchange (ETDEWEB)

A solid electrolytic capacitor having a solid electrolyte comprising manganese dioxide dispersed in an aromatic polyamide capable of further cure to form polyimide linkages, the solid electrolyte being disposed between a first electrode made of valve metal covered by an anodic oxide film and a second electrode opposite the first electrode. The electrolyte autogenously produces water, oxygen, and hydroxyl groups which act as healing substances and is not itself produced pyrolytically. Reduction of the manganese dioxide and the water molecules released by formation of imide linkages result in substantially improved self-healing of anodic dielectric layer defects.

1998-01-01

44

A novel process for extraction of natural sweetener from licorice (Glycyrrhiza glabra) roots  

British Library Electronic Table of Contents (United Kingdom)

Pressurized hot water extraction (PHWE) is a very useful technique for recovering bioactive molecules from natural materials using subcritical compressed liquid water in the temperature range of 50-150degreeC. A novel process has been developed for making a natural sweetener from licorice (Glycyrrhiza glabra) roots involving selective chemical reaction and easy separation, for recovering mono-ammonium glycyrrhizate (MAG) using hot water with dissolved ammonia and pressurized with carbon dioxide. The performance of the novel PHWE process has been evaluated to ascertain the optimum process parameters to maximize the recovery of MAG by varying the parameters, such as temperature (30-120degreeC), pressure (1-10atm), extraction time (60-120min), water-to-feed ratio (20-40ml/g), number of stages...

2008-01-01

45

In-situ FT-IR spectroscopic studies of coal drying. In-situ FT-IR ho wo mochiita sekitan no kanso ni kansuru kenkyu  

Energy Technology Data Exchange (ETDEWEB)

This paper discusses spectral change in brown coal and bituminous coal as a result of low-temperature drying. The experiment used a Fourier transform infrared (FT-IR) spectroscopy disposed with an in-situ diffuse reflector as a water content measuring method. The FT-IR spectra of coal showed the existence of two types of adsorbed water. One of the two spectral peaks was thought to have been caused by isolated water molecules which may have been hydrogen bonded to hydrocarbon in the coal molecules and weakly bound. The other peak was thought to have been caused by water which may have been hydrogen bonded to functional groups such as hydroxyl groups in the coal molecules and strongly bound. Drying behavior in brown coal and bituminous coal showed the absorption peak at 3640 cm[sup -1] reducing faster than the absorption peak at 3360cm[sup ...

1993-01-29

46

K S Krishnan and the early experimental evidences for the Jahn-Teller Theorem  

CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

1998-01-01

47

Electron binding to isolated polar molecules and molecular dipole assemblies  

International Nuclear Information System (INIS)

In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).

1994-03-20

48

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

1994-08-01

49

Photophysical properties of new psoralen derivatives: psoralens linked to adenine through polymethylene chains  

International Nuclear Information System (INIS)

The model compounds, 8-methoxypsoralen-CH_2O(CH_2)_n-adenine (MOPCH_2OC_nAd, n=2,3,5,6,8, and 10) in which 5 position of 8-methoxypsoralen (8-MOP) is linked by various lengths of polymethylene bridge to N"9 of adenine. UV absorption spectra are identical with the sum of MOPCH_2OC3 and adenine absorption spectra. Solvent effect on the UV absorption and fluorescence emission spectra indicate that the lowest excited singlet state is the (#pi##->##pi#"*) state. The spectral characteristics of the fluorescence of MOPCH_2OC_nAd are strongly dependent upon the nature of the solvents. The fluorescence emission spectra in aprotic solvents are broad and structrueless due to the excimer formation through the folded conformation accelerated by hydrophobic #pi#-#pi# stacking interaction. Increasing polarity of the protic solvents leads to higher population of unfolded conformation stabilized through favorable solvation and H-bonding, and consequently to an increase in the fluorescence intensity, ...

2002-10-01

50

Desorption of polycyclic aromatic hydrocarbons (PAH`s) from calcite and quartz sediments to seawater  

Energy Technology Data Exchange (ETDEWEB)

Polycyclic aromatic hydrocarbons (PAH`s) are ubiquitous hydrophobic organic pollutants in the marine environment. Many of the PAM`s are classified as possible carcinogens or mutagens, therefore they are of considerable concern to human and environmental health. The highest concentrations are found in coastal regions due to anthropogenic activities including oil spills, tanker operations, incomplete fossil fuel combustion and runoff. The sources and distribution of PAM`s in sediments are fairly well known, while the fate and transport of PAH`s in the marine environment are less known. Desorption is an important factor influencing the fate and transport of hydrophobic molecules at the seawater/sediment interface. The desorption of PAH`s from contaminated marine sediments to the water column/pore water affects the availability of the pollutant to biota. The sorption of PAH`s is determined in part by the organic carbon content ...

1996-12-31

51

Thermodynamic and kinetic aspects of surface acidity  

Science.gov (United States)

Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements ...

1992-01-01

52

Electrodeless, multi-megawatt reactor for room-temperature, lithium-6/deuterium nuclear reactions  

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium ...

53

Dynamical Quasi-Stationary States in a system with long-range forces  

CERN Document Server

The Hamiltonian Mean Field model describes a system of N fully-coupled particles showing a second-order phase transition as a function of the energy. The dynamics of the model presents interesting features in a small energy region below the critical point. In particular, when the particles are prepared in a ``water bag'' initial state, the relaxation to equilibrium is very slow. In the transient time the system lives in a dynamical quasi-stationary state and exhibits anomalous (enhanced) diffusion and L\\'evy walks. In this paper we study temperature and velocity distribution of the quasi-stationary state and we show that the lifetime of such a state increases with N. In particular when the $N\\to \\infty$ limit is taken before the $t \\to \\infty$ limit, the results obtained are different from the expected canonical predictions. This scenario seems to confirm a recent conjecture proposed by C.Tsallis.

2001-01-01

54

Tips for Living with Scleroderma  

Science.gov (United States)

... relaxation and a sense of well-being. Warm whirlpool baths, molten paraffin application to the hands and ...

56

JEFI OLD: Joint seismic/electrical measurement of gas hydrate content in continental margin sediments  

Environmental Research Database

ObjectivesNot EnteredDescriptionMethane hydrate in an ice-like substance consisting of molecules of methane gas combined chemically with water. It is stable at high pressures and low temperatures. Since the ocean floor is normally cold, but temperatures increase with depth inside the Earth, such conditions normally prevail for a few hundred meters below the seafloor where the ocean depth is more than a few hundred metres. Methane beneath the ocean floor is formed by the decomposition of organic material. At the edges of the co [continued...

2006-01-30

57

A new empirical potential function and its application to hydrogen bonding  

International Nuclear Information System (INIS)

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).

1981-01-01

58

Incorporation of tritium into body constituent molecules  

International Nuclear Information System (INIS)

Incorporation of tritium into body constituent molecules from tritiated water and its in vivo behaviors were studies using rats. In single administration of HTO, "3H behaviors were studied in lipids that are rich in hydrogen. Incorporation of "3H into the lipid fraction from HTO and its release differed by each organ and by the type of lipid components. Of routes of administration, the oral and parenteral routes showed same results, and no prominent difference was noted by inhalation. By consecutive administration, the urine "3H concentration showed no difference according to the route, but increased as the concentration of administered HTO increased. When administration was discontinued after the urine "3H concentration reached a plateau, the biological half-life was about 4.5 days, almost in agreement with the value by single administration. In relation to water intake, increase in the urine volume and accompanying ...

1981-12-03

60

Study of the effect of gamma radiation on the molecule of tetracycline concerning its behavior as complexing and extracting agent; Estudo do efeito da radiacao gama sobre a molecula de tetraciclina relativamente ao seu comportamento como agente complexante e extrator  

Energy Technology Data Exchange (ETDEWEB)

Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by {sup 152} Eu-{sup 154}Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were ...

1982-07-01

61

Micropolarities of lipid bilayers and micelles. 3. Effect of monovalent ions on the dielectric constant of the water-membrane interface of unilamellar phosphatidylcholine vesicles  

Energy Technology Data Exchange (ETDEWEB)

A study was undertaken of the effect of monovalent cations (Li/sup +/, Na/sup +/, K/sup +/) on the dielectric constant (epsilon) of the water-lipid interface of unilamellar phosphatidylcholine (PC) vesicles, i.e., the ester carbonyl oxygen region of the PC molecules or the neighborhood of the oxygen atoms of the phosphorylcholine moiety. epsilon was determined by reacting the free radical 1,1-diphenyl-2-picrylhydrazyl with ..cap alpha..-tocopherol incorporated in the lipid vesicles. The results are consistent with a decrease of epsilon (LiCl: 35.5 to 29.5; NaCl: 34 to 29; KCl: 33 to 29) as the concentration of the salts in the solvent media increases from 0.025 to 0.5 M. These effects can be rationalized in terms of dielectric saturation at the water-lipid interface brought about by ion-induced local electric fields. In the unilamellar PC vesicles the effect of the ions on epsilon follows the sequence K/sup +/ > Na/sup ...

1986-02-27

62

Two-site exchange revisited: a new method for extracting exchange parameters in biological systems.  

UK PubMed Central (United Kingdom)

A new analysis is presented which links real volume fractions, relaxation rates, and intracompartmental exchange rates directly with apparent volume fractions and relaxation rates obtained from biexponential...Full Text Available

1989-02-01

63

A possible role of decreased relaxation mediated by beta-adrenoceptors in bladder outlet obstruction by benign prostatic hyperplasia.  

UK PubMed Central (United Kingdom)

1. To explore mechanisms of urinary obstruction in benign prostatic hyperplasia (BPH), the features of contraction and relaxation in human hyperplastic and non-hyperplastic (control) prostatic tissues...Full Text Available

1992-11-01

64

In situ and ex situ studies of imidazole and its derivatives as copper corrosion inhibitors. 2. AC impedance, XPS, and SIMS studies  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work was to investigate the efficiency of imidazole derivatives for corrosion inhibition of copper in 0.5 M hydrochloric acid. Corrosion inhibition was studied using impedance spectroscopy. Imidazole and its derivatives 4-methylimida-zole, 4-methyl-5-hydroxymethylimidazole, 1-phenyl-4-methylimidazole, 1-(p-tolyl)-4-methylimidazole were investigated. These studies have shown that 1-(p-tolyl)-4-methylimidazole is the best inhibitor in this series and that it acts as mixed inhibitor. The nature of the chemical interaction between these molecules and the copper surface was investigated by Cu exposed to solutions having two very different pH values: 0.5 M HCl and unbuffered purified water. X-ray photoelectron spectroscopy and secondary ion mass spectrometry were used to explore the nature of the interaction. Possible mechanisms of corrosion inhibition for these molecules are discussed.

2000-03-01

65

Electron spin resonance study of the equilibrium between tetrahalogeno- and pentahalogeno-nitridotechnetate (VI) ions in solution  

Energy Technology Data Exchange (ETDEWEB)

The e.s.r. spectra of (AsPh/sub 4/)(TcNCl/sub 4/), Cs/sub 2/(TcNCl/sub 5/), (AsPh/sub 4/)(TcNBr/sub 4/), and Cs/sub 2/(TcNBr/sub 5/) have been studied in non-aqueous and concentrated aqueous acid solutions. None of the spectra shows evidence for the co-ordination of a fifth halide ligand in the trans position, even under circumstances such as a 2 000-fold excess of halide ion, which would be expected to favour the formation of the pentahalogenonitridotechnetate ion. The predominant species in solution is the tetrahalogenonitridotechnetate ion, where the trans position may be vacant or occupied by a solvent molecule in the case of the non-aqeuous solvents and by a water molecule in the case of HCl and HBr solutions. This conclusion may be contrasted with the behaviour of a number of tetra- and penta-halogeno-oxometal complexes, where the equilibrium (MOX/sub 4/)sup(n-) + X/sup -/< - - > (MOX/sub 5/)sup(n + 1)/sup -/ is ...

1987-07-01

66

An electron spin resonance study of the equilibrium between tetrahalogeno- and pentahalogeno-nitridotechnetate (VI) ions in solution  

International Nuclear Information System (INIS)

The e.s.r. spectra of [AsPh_4][TcNCl_4], Cs_2[TcNCl_5], [AsPh_4][TcNBr_4], and Cs_2[TcNBr_5] have been studied in non-aqueous and concentrated aqueous acid solutions. None of the spectra shows evidence for the co-ordination of a fifth halide ligand in the trans position, even under circumstances such as a 2 000-fold excess of halide ion, which would be expected to favour the formation of the pentahalogenonitridotechnetate ion. The predominant species in solution is the tetrahalogenonitridotechnetate ion, where the trans position may be vacant or occupied by a solvent molecule in the case of the non-aqeuous solvents and by a water molecule in the case of HCl and HBr solutions. This conclusion may be contrasted with the behaviour of a number of tetra- and penta-halogeno-oxometal complexes, where the equilibrium [MOX_4]sup(n-) + X"-< - - > [MOX_5]sup(n + 1)"- is clearly established. (author).

67

Massage Therapy  

Medline Plus

... Massage therapy can help the body release certain chemicals. These chemicals help us relax, improve blood circulation and get ...

69

Stress relaxation in Mg-Al-Alloys AZ31 reinforced by ceramic form  

Energy Technology Data Exchange (ETDEWEB)

Stress relaxation was studied at 408 K on AZ31 reinforced by ceramic foam produced by in situ foaming of filler loaded preceramic polymer melt. Reinforcement causes significant enhancement of the resistance against stress relaxation compared to AZ91. It is correlated with hardening by the ceramic skeleton as well as ceramic particles formed in the AZ31-matrix. (orig.)

2003-07-01

70

Phonon relaxation and internal friction in heterogeneous systems based on poly(vinyl chloride)  

British Library Electronic Table of Contents (United Kingdom)

Phonon relaxation and internal friction in kaolin-and bentonite-filled PVC composites are studied. By varying the temperature and/or content of the ultrafine mineral filler in the PVC, one can control the contribution from phonon viscosity, damping force, and the effect of viscosity into the energy dissipation of ultrasonic oscillations in the MHz frequency interval. The dynamic character of the measurements makes it possible to differentiate between relaxation phenomena in the composites and to suggest methods for their controlled changes.

2010-01-01

71

Production of hydrogen by radiolysis  

Energy Technology Data Exchange (ETDEWEB)

The possibility of obtaining high yields of hydrogen through the exposure of calcium hydroxide to natural uranium fission fragments is confirmed experimentally. The amounts of hydrogen obtained in some experiments were determined not only from the mass-spectrometry data, but also with the use of standard chemical analysis methods. The radiolytic hydrogen yield averaged over six independent experiments comprises 20.41 hydrogen molecules per 100 eV of absorbed fission fragment energy. The corresponding energy efficiency makes up to 60.62. Since on interaction with water or water vapor calcium hydroxide enters into the exothermal reaction to liberate 15.6 kcal/mole, it can easily be regenerated; this was attested to by one of irradiation experiments. Therefore, in the long run, we are dealing with a radiolytic decomposition of water at low temperatures or at temperatures readily available with modern ...

1998-07-01

72

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

Energy Technology Data Exchange (ETDEWEB)

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

73

Velocity measurement of wake behind flat plate simulating BWR fuel spacer  

International Nuclear Information System (INIS)

Velocity field behind a flat plate, placed near the wall in a narrow channel as a simulant of a BWR fuel spacer, was measured by using a hot wire anemometer. It was found that not only the positions where the dead water region behind flat plate disappeared but also the locations where the velocity relaxation completed were almost independent of the width of the clearance, although the local average velocity and velocity fluctuation immediately downstream the flat plate were affected by the difference in the clearance. The transverse flow diversions in the channel cross section were evaluated from the shape of the average velocity profile. The decrease of local flow rate near the channel wall, which may causes the drift flow behind a flat plate, was encouraged as the drag of clearance increased. Attempts have been made to measure spanwise velocity in the narrow channel. A spanwise velocity that occurred due to flow diversion was observed and its ...

2004-10-04

74

Mound Facility activities in chemical and physical research: July--December 1977. [Kr-Xe and Kr-Ar diffusion; Ne-Ar thermal diffusion  

Science.gov (United States)

Isotope separation of Ar, C, /sup 3/He, Kr, Ne, O, and Xe isotopes is reported. TiFeH/sub x/, TiCoH/sub x/, TiCuH/sub x/, and VH/sub x/ were studied using NMR (proton relaxation times). VD/sub x/ and VT/sub x/ were synthesized. The problem of calculating the valence state of Pu is discussed. A series solution to the plutonium (N,H) characteristic equation is suggested. Shipments of /sup 231/Pa, /sup 230/Th, and /sup 229/Th are reported. Separation and processing of /sup 234/U are also reported. Theoretical methods were developed to calculate temperature distributions as functions of water flow rate in liquid thermal diffusion columns. Diffusion coefficients were measured from 300 to 1200/sup 0/K for Kr-Xe and Kr-Ar. New thermal diffusion factors are submitted for Ne-Ar.

1978-05-01

75

Square planar platinum(II) complexes: Synthesis, IR spectroscopy, and hydration equilibrium of Pt[sup II]L(CN)[sub 2] (L = 4,4[prime]-(t-Bu)[sub 2]-2,2[prime]-bpy)  

Energy Technology Data Exchange (ETDEWEB)

The hydration behavior of a number of square planar Pt(II) bis(cyano) complexes has been examined, and the limiting stoichiometries are related to the steric requirements of the dinitrogen bidentate ligands coordinated to the metal center. In particular, the IR, UV/vis, and [sup 1]H, [sup 13]C, and [sup 195]Pt NMR spectroscopic data for the compound Pt[sup II]dtbipy(CN)[sub 2] [dtbipy = 4,4[prime]-[l brace]C(CH[sub 3])[sub 3][r brace][sub 2]-2,2[prime]-bpy] have been determined and show that, at relative humidities (rh) above [approximately]40%, this complex sorbs five water molecules at room temperature. The sorption process consists of a rapid step in which one H[sub 2]O adds to the complex and which appears to be independent of rh, followed by a slower, rh-dependent step leading to the final stoichiometry. In contrast, the analogous 2,2[prime]-bpy complex sorbs no water under these conditions, while the ...

1992-12-23

76

Liquid Water from First Principles: Validation of Different Sampling Approaches  

Energy Technology Data Exchange (ETDEWEB)

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations ...

2004-05-20

77

Decolorization of basic, direct and reactive dyes by pre-treated narrow-leaved cattail (Typha angustifolia Linn.).  

Science.gov (United States)

The efficiency of basic, direct and reactive dye removal from water by narrow-leaved cattail (NLC) powder treated with distilled water (DW-NLC), 37% formaldehyde+0.2 N sulfuric acid (FH-NLC), or 0.1 N sodium hydroxide (NaOH-NLC) at various pH levels (3, 5, 7, and 9) was tested. Desorption of the adsorbed dyes was also investigated. The type of NLC treatment and pH of the dye solution had little effect on removal of basic dyes, and efficiencies ranged from 97% to 99% over the range of pH used. Over a wide range of pH levels, all types of treated cattail powder had negative charges and probably attracted the basic dyes possessing positive charges. Efficiency of removal by the three NLC treatments ranged from 37% to 42% for direct dyes and from 22% to 54% for direct dyes at pH 7. The pH of the dye solution had substantial effects on the efficiency of removal in direct and reactive dyes. Dye removal was highest at pH 3, with 99% for a direct dye ...

2004-09-01

78

Spectrophotometric studies on the interactions of C.I. Basic Red 9 and C.I. Acid Blue 25 with hexadecyltrimethylammonium bromide in cationic surfactant micelles  

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

2011-01-01

79

Spectral investigation of primary uranyl orthophosphate  

International Nuclear Information System (INIS)

By methods of vibrational (infrared, Raman) and PMR spectroscopy, crystallohydrate forms of monosubstituted uranyl orthophosphate have been examined. The vibrational frequencies of the groupings from the compounds were identified. The existence of non-equivalent H_2PO_4"--groups in the substances under investigation was ascertained. It has been suggested that one of them is a bridged group, and the other is the end group. A fragment of the VO_2(H_2PO_4)_2 hydrate structure is given, its main constituents being uranylphosphate chains. The analysis of water vibrations assumes coordination of one mole of H_2O in VO_2(H_2PO_4)_2:3H_2O to uranium, while two other molecules are only hydrogen-bonded with phosphate anions. Absorption within the region of 2100-2550 cm"-"1 is assigned to vibrations of O...H...O groupings.

80

Highly-sensitive ion selective electrode based on molecularly imprinted polymer particles for determination of tetracycline in aqueous samples  

British Library Electronic Table of Contents (United Kingdom)

In this work, a highly-sensitive polymeric membrane ion selective electrode for determination of tetracycline was constructed by using molecularly imprinted polymer (MIP) particles as quasi-ionophore. The water-compatible MIP particles targeting tetracycline were synthesized with tetracycline as a template molecule, methacrylic acid as a functional monomer, ethylene glycol dimethacrylate as a cross-linker, 2,2?-azobisisobutyronitrile as an initiator and lanthanum ion as a mediator. Benefited from the distinctive performance of the quasi-ionophore and the optimized composition of the membrane and the inner filling solution, the lower detection limit of the electrode was decreased to about 1 ? 10?8 mol/l. It exhibited a good electrode slope 59.8 mV/decade near the theoretical Nernstian one, ...

2011-01-01

81

Effects of quantum vacuum fluctuations of the electric field on DNA condensation  

British Library Electronic Table of Contents (United Kingdom)

By assuming that not only counter-ions but DNA molecules as well are thermally distributed according to a Boltzmann law, we propose a modified Poisson-Boltzmann equation, at the classical level, as a starting point to compute the effects of quantum fluctuations of the electric field on the interaction among DNA-cation complexes. The latter are modeled here as infinite one-dimensional wires (?-functions). Our goal is to single out such quantum-vacuum-driven interaction from the counterion-induced and water-related interactions. We obtain a universal, frustration-free Casimir-like (codimension 2) interaction that extensive numerical analysis show to be a good candidate to explain the formation and stability of DNA aggregates. Such Casimir energy is computed for a variety of configurations of...

2011-01-01

82

How and when can one identify hadronic molecules in the baryon spectrum  

Energy Technology Data Exchange (ETDEWEB)

A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)

2008-03-15

83

Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone 4-phosphate synthase  

Energy Technology Data Exchange (ETDEWEB)

X-ray crystal structures of L-3,4-dihydroxy-2-butanone-4-phosphate synthase from Magnaporthe grisea are reported for the E-SO{sub 4}{sup 2-}, E-{sub 4}{sup 2-}-Mg{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}-glycerol, and E-SO{sub 4}{sup 2-}-Zn{sup 2+} complexes with resolutions that extend to 1.55, 0.98, 1.60, 1.16, and 1.00 {angstrom}, respectively. Active-site residues of the homodimer are fully defined. The structures were used to model the substrate ribulose 5-phosphate in the active site with the phosphate group anchored at the sulfate site and the placement of the ribulose group guided by the glycerol site. The model includes two Mg{sup 2+} cations that bind to the oxygen substituents of the C2, C3, C4, and phosphate groups of the substrate, the side chains of Glu37 and His153, and water molecules. The position of the metal cofactors and the substrate's phosphate group are further stabilized by an ...

2010-03-08

84

Methods for evaluating long-term changes in thermal resistance of vacuum insulation panels  

Energy Technology Data Exchange (ETDEWEB)

Vacuum insulation panels (VIP) offer excellent thermal resistance properties that can enhance the energy efficiency of insulating systems, save space and contribute to energy consumption reductions. However, VIPs are not used much in Canada, and new commitments to carbon dioxide reductions has created the need to study the prospect of using VIPs in various components of a building envelope. For that reason, assessment methods for the applicability and sustainability of VIPs for use in building envelope construction were developed. There are practical aspects regarding the long-term performance and application of VIPs in building construction. Air molecules and water molecules can permeate through the foil and seams of the VIPs, causing a reduction in thermal resistance. This paper addresses some of the test methods that may accelerate long term changes in thermal resistance. Results were presented from tests using elevated ...

2005-07-01

85

Molecular orientation and miscibility of fluorinated +/-,E-alkanediol and alcohol at the hexane/water interface  

British Library Electronic Table of Contents (United Kingdom)

The interfacial tension g of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) and 1H,1H,2H,2H-perfluorododecanol (TFC12OH) mixture against water was measured as a function of the total molality m and composition of TFC12OH in the mixture X2 at 298.15K under atmospheric pressure. The interfacial pressure p vs. mean area per adsorbed molecule A curves and the phase diagram of adsorption (PDA) were constructed in order to shed light on the effect of the molecular orientation on the state of and the miscibility of FC10diol and TFC12OH in the adsorbed film. The p vs. A curves demonstrated that the mixed system exhibits three kinds of film states, parallel-condensed, normal-condensed, and multilayer states, depending on m and X2. The PDA indicated that film composition X...

2010-01-01

86

High-performance hybrid pervaporation membranes with superior hydrothermal and acid stability  

Energy Technology Data Exchange (ETDEWEB)

A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecular sieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux ...

2009-05-15

87

Complexation study on no-carrier-added astatine with insulin: A candidate radiopharmaceutical  

Energy Technology Data Exchange (ETDEWEB)

No-carrier-added astatine radionuclides produced in the {sup 7}Li-irradiated lead matrix were separated from bulk lead nitrate target by complexing At with insulin, followed by dialysis. The method offers simultaneous separation of At from lead as well as its complexation with insulin. The At-insulin complex might be a potential radiopharmaceutical in the treatment of hepatocellular carcinoma. The stability of At-insulin complex was checked by dialysis against deionized water and Ringer lactate (RL) solution. It has been found that the half-life of At-insulin complex is about {approx}12 h, when dialyzed against deionized water and is only 6 h, when dialyzed against RL solution having the same composition as blood serum. The 6 h half-life of this Insulin-At complex is perfect for killing cancer cells from external cell surfaces as the half-life of internalization of insulin molecule inside the cell is 7-12 h.

2008-12-15

88

Complexation study on no-carrier-added astatine with insulin: A candidate radiopharmaceutical  

International Nuclear Information System (INIS)

No-carrier-added astatine radionuclides produced in the "7Li-irradiated lead matrix were separated from bulk lead nitrate target by complexing At with insulin, followed by dialysis. The method offers simultaneous separation of At from lead as well as its complexation with insulin. The At-insulin complex might be a potential radiopharmaceutical in the treatment of hepatocellular carcinoma. The stability of At-insulin complex was checked by dialysis against deionized water and Ringer lactate (RL) solution. It has been found that the half-life of At-insulin complex is about #approx#12 h, when dialyzed against deionized water and is only 6 h, when dialyzed against RL solution having the same composition as blood serum. The 6 h half-life of this Insulin-At complex is perfect for killing cancer cells from external cell surfaces as the half-life of internalization of insulin molecule inside the cell is 7-12 h.

2008-12-01

89

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

CERN Document Server

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

90

Relaxation oscillation of amplified spontaneous radiation pulse emitted from a single-mirror Cu/CuBr laser  

Energy Technology Data Exchange (ETDEWEB)

The relaxation oscillation of the amplified spontaneous radiation pulses emitted from a single-mirror Cu/CuBr laser has been observed for the first time and the experimental characteristics of the relaxation oscillation were obtained. In addition, the spatial and temporal distributions of the light pulse intensity of the amplified spontaneous radiation were also measured and found to be comparatively and uniform. The spatial coherence of the amplified spontaneous radiation was found to be better than that of the laser with the same lasant.

1985-10-01

94

Plane-wave-basis pseudopotential calculations of the surface relaxations of Ti(0001) and Zr(0001)  

International Nuclear Information System (INIS)

The relaxations of the Ti(0001) and Zr(0001) surfaces are studied using the plane-wave-basis pseudopotential method within the local-density approximation. We find that the first interlayer spacings of Ti(0001) and Zr(0001) are contracted with respect to the bulk spacings by 6.8% and 6.1%, respectively. Such large relaxations for the close-packed surfaces of Ti and Zr are in good agreement with recent linear-augmented-plane-wave calculations. In addition, we predict a weak vibrational effect on the surface relaxation of Zr(0001) by considering the free energy in the quasiharmonic approximation. This result can be attributed to a very strong bonding between the first- and second-layer Zr atoms as a consequence of the bond-order endash bond-length correlation. copyright 1997 The American Physical Society.

95

Influence of the strain-relaxation induced defect creation on the leakage current of embedded Si{sub 1-x}Ge{sub x} source/drain junctions  

Energy Technology Data Exchange (ETDEWEB)

The purpose of this paper is to evaluate the role of the strain-relaxation processes on the leakage current of embedded SiGe S/D junctions. Current-voltage (I-V) and capacitance-voltage (C-V) characteristics were measured to further investigate the relaxation degree of embedded SiGe S/D junctions in the regime where partial relaxation by misfits dislocations is assumed, yielding a reduction of the leakage current density. Further, the impact of the ion implantation-related defects on the electrical performance is discussed. The analysis is complemented with structural characterization based on High Resolution Transmission Electron Microscopy (HRTEM) and Nomarski microscopy. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2009-08-15

96

Idiopathic (primary) achalasia  

UK PubMed Central (United Kingdom)

Idiopathic achalasia is a primary esophageal motor disorder characterized by esophageal aperistalsis and abnormal lower esophageal sphincter (LES) relaxation in response to deglutition. It is a rare...Full Text Available

97

Interstellar chemistry  

Energy Technology Data Exchange (ETDEWEB)

The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.

1985-03-01

98

Structural relaxation and crystallization in the Fe-Cr-Si-B and Fe-Cu-Cr-Si-B amorphous alloys  

International Nuclear Information System (INIS)

Structural relaxation, crystallization and optimisation processes in soft magnetic amorphous alloys based on iron are examined by applying different experimental techniques: X-ray diffraction analysis, high-resolution electron microscopy, measurements of magnetic and electric properties (permeability, after-effect resistivity). The presented results are discussed in terms of annealing out of microvoids, formation of nanocrystalline phase and changes of effective magnetostriction constant. (author)

2001-09-23

99

Isotherme Weerstandsmetingen Aan FE40 NI40 B20 en PD80 SI20 (Isothermal Resistivity Measurements on FE40NI40B20 and PD80SI20).  

Science.gov (United States)

Resistivity measurements were performed on Fe40 Ni40 B20 and Pd80 Si20 in order to improve the understanding of structural relaxation in amorphous metals. A model describing structural relaxation as a combination of chemical short range ordering (CSRO) an...

1986-01-01

100

Influence of relaxation phenomena in liquid phase on magnetic anisotropy of metallic glasses  

International Nuclear Information System (INIS)

It if first shown, that the effective field of uniaxial magnetic anisotropy of Fe-Cr-P-C and Fe-Ni-B-Si system amorphous alloys is reduced with an increase of the source melt isothermal exposure time. The behaviour noted is conditioned by microcoherence and relaxation processes in the nonequilibrium liquid phase after crystal-liquid phase transition.

1996-12-01

101

Influence of microwaves on the order parameter relaxation time of superconducting aluminium  

Energy Technology Data Exchange (ETDEWEB)

Experimentally it is found that at constant temperature the order-parameter relaxation time, tausub(..delta..), decreases with increasing power of the microwaves, coupled into a superconducting strip. If the same increase in critical current, that corresponds with a given power of the microwaves, is obtained by lowering the temperature, the decrease in tausub(..delta..) is smaller. This reflects the fact that quasiparticles are removed more efficiently from the gap edge by microwaves than by lowering the temperature in equilibrium. A modified time-dependent Ginzburg-Landau equation is shown to describe these results adequately.

1982-04-01

102

Curious Results with Palladium- and Platinum-Carrying Polymers in Mass Cytometry Bioassays and an Unexpected Application as a Dead Cell Stain.  

Science.gov (United States)

We describe the synthesis of metal-chelating polymers (MCPs) with four different pendant polyaminocarboxylate ligands (EDTA, DTPA, TTHA, DOTA) and an orthogonal end-group, either a fluorescein molecule or a bismaleimide linker for antibody attachment. Polymer characterization by a combination of (1)H NMR, UV/vis absorption measurements, and thermal gravimetric analysis (TGA) indicated that each chain of the fluorescein-terminated polymers contained one dye molecule. These polymer samples were loaded with three different types of lanthanide ions as well as palladium and platinum ions. The numbers of metal atoms per chain were determined by a combination of UV/vis and conventional ICP-MS measurements. The experiments with lanthanide ions demonstrated that a net anionic charge on the polymer is important for water solubility. These experiments also showed that at least one type of lanthanide ion (La(3+)) is capable of forming ...

2011-09-28

103

Analysis of acidic compound classes in crude oil by negative ion electrospray ionization high resolution FT-ICR mass spectrometry  

Energy Technology Data Exchange (ETDEWEB)

Acidic constituents in crude oil are associated with the formation of stable emulsions during production and present a challenge for efficient oil recovery and processing. Acid molecules, including naphthenic acids and acidic sulfur in crude oil cause corrosion in refineries and pipelines. Naphthenic acids are also significant because of their surface activity and marginal water solubility, so that they may leach to wastewaters and cause adverse environmental effects. Acidic components of oil are not limited to carboxylic acids but also molecules that contain sulfur and nitrogen. As such, an improved understanding of the chemistry and physics of petroleum at the molecular level is needed in order to understand the range of problems associated with acidic oil components and to design better solutions. The applications of negative-ion electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry ...

2008-07-01

104

Modeling of the relaxation kinetics of metastable tensile strained Si:C alloys  

Energy Technology Data Exchange (ETDEWEB)

In order to enhance the performance of CMOS transistors, embedded epitaxial layers of Si:C can be used. In the present work, Si:C layers with Carbon contents up to 1.9 at-% and in-situ Phosphorus doping up to 4 x 10{sup 20}At/cm{sup 3} have been investigated. Due to the low solubility of Carbon in Silicon (0.0004 at.-% at the melting point), all layers considered in this work are metastable and tend to relax. Since it is crucial to the application to retain the strain of those layers, the responsible mechanisms must be understood. The relaxation during thermal treatment was studied by high resolution X-ray diffraction and was found to behave differently, depending on Carbon content and Phosphorus doping concentration. In this work, we propose a relaxation mechanism based on a kick-out reaction of substitutional Carbon which is accelerated by Phosphorus content through transient enhanced diffusion. We simulate the time ...

2010-07-01

105

Augmented-plane-wave calculations on small molecules  

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...

106

A study of the B 24 - A 19 transition of benzene molecule in different matrices  

International Nuclear Information System (INIS)

Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).

1988-01-01

107

Behavior of Aqueous Electrolytes in Steam Cycles - The Final Report on the Solubility and Volatility of copper(I) and Copper(II) Oxides  

Energy Technology Data Exchange (ETDEWEB)

Measurements were completed on the solubility of cupric and cuprous oxides in liquid water and steam at controlled pH conditions from 25 to 400 C (77 to 752 F). The results of this study have been combined with those reported from this laboratory in two previous EPRI reports to provide a complete description of the solubility of these oxides and the speciation of copper dissolved in liquid water and steam as a function of oxidation state, temperature, pH, and in the case of steam, pressure. These constitute the first set of reliable data for cuprous oxide solubility over this range of conditions. For the more intensively studied CuO case, agreement was found between our results and those of previous studies of its solubility in steam, whereas only partial agreement was evident for its solubility in liquid water. For both oxides this disagreement often amounted to orders of magnitude. The solubility of cuprous oxide is ...

2004-05-01

108

Synthesis, crystal structure and spectroscopic studies of copper(II) complex of C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane  

British Library Electronic Table of Contents (United Kingdom)

Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV?Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl2?2H2O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl?...

2011-01-01

109

Surface morphology of thin lysozyme films produced by matrix-assisted pulsed laser evaporation (MAPLE)  

Energy Technology Data Exchange (ETDEWEB)

Thin films of the protein, lysozyme, have been deposited by the matrix-assisted pulsed laser evaporation (MAPLE) technique. Frozen targets of 0.3-1.0 wt.% lysozyme dissolved in ultrapure water were irradiated by laser light at 355 nm with a fluence of 2 J/cm{sup 2}. The surface quality of the thin lysozyme films of different thickness deposited on 7 mm x 7 mm Si-<1 0 0>-wafers was investigated with scanning electron microscopy and atomic force microscopy. Already at comparatively low thickness, {approx}20 nm, the substrate is covered by intact lysozyme molecules and fragments. The concentration of lysozyme in the ice matrix apparently does not play any significant role for the morphology of the film. The morphology obtained with MAPLE has been compared with results for direct laser irradiation of a pressed lysozyme sample (i.e. pulsed laser deposition (PLD))

2007-12-15

110

Spectroscopic studies on the interaction of the antibiotic lasalocid A (x-537a) with technetium (V) ions in methanol  

International Nuclear Information System (INIS)

In the present study, the authors examine the interactions of pentavalent technetium ions (TcO/sup 3+/) with the basic form of the lasalocid A in pure methanol solvent and in methanol-water mixtures. There are a number of reasons for such a study. First, the interactions of technetium ions with biologically important compounds are of considerable importance owing to the widespread use of /sup 99m/Tc in diagnostic radio-imaging. Second, lasalocid A is known to transport metal ions across phospholipid bilayer membranes and between the aqueous cores of phospholipid inverse micelles. Third, lasalocid A is known to bind and solubilize metal ions in bulk organic liquid phases. Fourth, the conformation adopted by lasalocid A on interaction with TcO/sup 3+/ appears to be different than those found in most other cases and circumstances. Fifth, it may also be possible to use the competition of TcO/sup 3+/ with other, physiologically relevant cations (Na/sup +/, K/sup +/, ...

111

Single-Electrode Capacitance and Charged State in Interfacial Region within Nano-Porous Carbon Electrode for Electric Double Layer Capacitor; Kasseitan denki 2jyuso kyapasita no tankyoku seiden yoryo to koeki kaimen chikuden jyotai  

Energy Technology Data Exchange (ETDEWEB)

The single-electrode capacitance of a nano-porous carbon electrode used as an electric double layer capacitor was measured. The charged state of the electrolyte ion was discussed from the results. Single-electrode capacitance was not proportional to the specific surface area of the electrode. This implies that the whole surface of the electrode is not effective for the formation of an electric double layer. It is considered that edge orientation of the carbon structure would give a dominant contribution to capacitance. For measurements with aqueous solutions of various electrolytes, capacitance was about the same value for each salt compound. For aqueous acid solution, on the other hand, capacitance was twice to three times as large as that for salt compounds. This difference, however, became negligibly small if the concentration of electrolyte solution was lowered. Taking account of the hydrated ionic radius of each ion, it was considered that ions in salt solutions attach onto carbon ...

1997-07-10

112

Highly Porous, Water-Soluble, Superparamagnetic, and Biocompatible Magnetite Nanocrystal Clusters for Targeted Drug Delivery.  

Science.gov (United States)

Magnetic particles have become very promising materials for drug delivery. However, preparation of magnetite particles with high surface area, biocompatibility, strong magnetic response, and suitable particle size still remains a major challenge. In this report, magnetite nanocrystal clusters with high surface areas were fabricated through a solvothermal process by introducing ammonium acetate as a porogen and trisodium citrate as a surface modification agent. The porosity, which was controlled by the reactant concentration, has been investigated in detail. The surface area of the nanocrystal clusters was as high as 141?m(2) g(-1) . Ibuprofen, as a model drug, was entrapped into the magnetite carriers. The interfacial interaction between the carboxylic groups on the drug molecules and the carboxylate groups on the carriers enhanced the loading efficiency. Low cytotoxicity in MCF-7 cell and in vitro constant drug release behavior combined with the high drug loading ...

2011-09-27

113

Fabrication and animal experiment of nanocomposites of hydroxyapatite collagen and polysaccharides  

Energy Technology Data Exchange (ETDEWEB)

Four species of nanocomposites organized by hydroxyapatite (HAp), hyaluronic acid (HyA), chondroitin sulfate (ChS) and type II collagen (Col), i.e. HAp/HyA, HAp/ChS, HAp/HyA/Col and HAp/ChS/Col composites, were synthesized by coprecipitation methods. The composites could retain lots of water: 40%, 32%, 42% and 58% for the HAp/HyA, HAp/ChS, HAp/HyA/Col and HAp/ChS/Col composites, respectively. Transmission electron microscopy observations revealed that the HAp/HyA and HAp/ChS composites consisted of island-like aggregations whose sizes were 300 nm in length and 30 nm in width, and 150 nm in length and 30 nm in width, respectively. In the aggregations, there were many HAp nanocrystals of 20 nm in length, and their c-axes were aligned along the respective polymer molecules through a self-organization process. Animal tests showed that chondrocyte-like cells penetrated into the HAp/ChS/Col composites 4 weeks after implantation. It was shown that the ...

2001-07-01

114

Evaluation of small-angle neutron scattering curves of unilamellar phosphatidylcholine liposomes using a multi shell model of bilayer neutron scattering length density  

International Nuclear Information System (INIS)

Computer simulated small-angle neutron scattering curves of spherical poly disperse extruded unilamellar liposomes from saturated 1,2-diacylphosphatidylcholines in the aqueous phase are evaluated by using a multi shell model, which divides the lipid bilayer of liposomes into the polar head group region, and the nonpolar hydrocarbon region consisting of the chains of methylene groups and of the region of methyl groups. In the each of these regions, the coherent neutron scattering length density is supposed to by homogeneous. The evaluation is based on obtaining of radius of gyration from Kratky-Porod plot of small-angle neutron scattering data in the Guinier region of small scattering vector values. From radii of gyration obtained at several different molar fractions N_D_2_O/(N_D-2_O + N_H_2_O) in the aqueous phase (contrasts) and independent volumetric data, the lipid surface area A_L (or the bilayer thickness d_L) and the number of water ...

2000-12-15

115

Diaqua[N,Nprime-(o-phenylene)bis(pyridine-2-carboxamidato)-k4N]manganes e(III) perchlorate  

British Library Electronic Table of Contents (United Kingdom)

In the MnIII complex of the title compound, [MnIII(C18H12N4O2)(H2O)2]ClO4, the MnIII atom is coordinated by four N atoms from the bpb2- [1,2-bis(pyridine-2-carboxamido)benzene] ligand located in the equatorial plane and two O atoms of water molecules at axial positions, yielding a distorted MnN4O2 octahedral coordination geometry. The bpb2- ligand is nearly planar, with a maximum deviation of 0.2311 (3) A from the mean plane. The MnIII complex cation and the perchlorate anion, both of which are located on twofold rotation axes, are connected by O-H...O and C-H...O hydrogen bonds into a three-dimensional supramolecular network structure.

2007-01-01

116

Density functional calculations of 15N chemical shifts in solvated dipeptides  

International Nuclear Information System (INIS)

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ?-sheet and ?-helical conformations ranges from 0.8 to 6.2 ppm depending on the residue ...

2008-06-01

117

Control of adsorption by microwave irradiation; Maikuroha nado wo mochiita gas no kyuchaku datsuri seigyo  

Energy Technology Data Exchange (ETDEWEB)

Introduced herein is microwave irradiation for the adsorption and desorption of environmental pollutants. Microwaves may be used in two ways, other than through elevation of temperature of a system as a whole with the adsorbent such as activated carbon serving as the heating medium. The first is the application by which desorption is caused to take place of specified molecules. For example, zeolite that has adsorbed water is regenerated when it is irradiated with microwaves in a stream of cooling gas. This is because only the moisture is heated since zeolite is a non-carbon adsorbent that absorbs microwaves but a little. Another case is reported in which microwaves are utilized to desorb H2S, H2O, CO, etc., from molecular sieves. In the second application, coexisting materials different in absorptivity are exposed to irradiation. The adsorption of microwave-absorbent materials is inhibited while that of the others is accelerated. For example, ...

1997-01-25

118

Biocatalytic desulfurization of petroleum and middle distillates  

Energy Technology Data Exchange (ETDEWEB)

Biocatalytic Desulfurization (BDS) represents an alternative approach to the reduction of sulfur in fossil fuels. The objective is to use bacteria to selectively remove sulfur from petroleum and middle distillate fractions, without the concomitant release of carbon. Recently, bacteria have been developed which have the ability to desulfurize dibenzothiophene (DBT) and other organosulfur molecules. These bacteria are being developed for use in a biocatalyst-based desulfurization process. Analysis of preliminary conceptual engineering designs has shown that this process has the potential to complement conventional technology as a method to temper the sulfur levels in crude oil, or remove the recalcitrant sulfur in middle distillates to achieve the deep desulfurization mandated by State and Federal regulations. This paper describes the results of initial feasibility studies, sensitivity analyses and conceptual design work. Feasibility studies with various crude oils ...

1993-02-01

119

Magnetic resonance imaging. Handbook and atlas; Kernspintomographie. Kompendium und Atlas  

Energy Technology Data Exchange (ETDEWEB)

Magnetic resonance imaging (MRI) as a diagnostic imaging tool relies on the generation of magnetic fields, whereas the computerized tomography (CT) uses X-radiation. The fundamental principle of MRI is the magnetic resonance of paramagnetic atomic nuclei. These nuclei, as e.g. protons (= hydrogen nuclei), are aligned in required orientation by application of a strong magnetic field. Upon simultaneous application of an electromagnetic high-frequency field perpendicular to the axis of the basic magnetic field, and in response to periodical changing of the electromagnetic field at a given frequency, the originally aligned paramagnetic nuclei are forced into a movement similar to that of a ``whipping top``. When the resonance frequency is shut off, the nuclei return to their former, aligned positions, inducing a weak signal in a coil. The series of signals generated by multiple repetition of this process of excitation of nuclei and their return to aligned rest is used as input to a ...

1999-10-01

120

Tunable far infrared laser spectroscopy of Van der Waals molecules in a planar supersonic jet expansion  

Energy Technology Data Exchange (ETDEWEB)

The gas phase high resolution spectroscopic study of weakly bound clusters can provide the information necessary to develop an intermolecular potential energy surface. This surface can then be used to better understand condensed phases. In this work, a tunable far infrared laser spectrometer is used to study weakly bound dimers produced in the newly developed continuous planar supersonic jet expansion apparatus. The water dimer is an extensively studied hydrogen bonded dimer. It undergoes several tunneling motions which result in splittings and perturbations of the rovibrational energy levels. A review is presented of much of the experimental and theoretical work done on water dimer, including a description of the combined fit of all the high resolution spectroscopic results by Coudert and Hougen. Also included is a discussion of the measurement of the K = 1 lower {yields} K = 2 lower band performed using the tunable far infrared laser/planar ...

1990-12-01

121

Explosive treatment of Illinois No.6 coal with a mixed solvent of water and cyclohexanol; Mizu-cyclohexanol kongo yozai ni yoru Illinois tan no bakusai shori  

Energy Technology Data Exchange (ETDEWEB)

Coal was treated at high temperature under high pressure in the binary system mixed solvent of water and organic solvent, and the solvent treated coal was liquefied. When the treated coal was treated again by the explosive method in which high temperature and pressure were released immediately, the oil yield was higher than that by the normal method in which high temperature and pressure were reduced gradually to room temperature and atmospheric pressure. In this study, an explosive treatment unit with increased scale of sample amount was newly fabricated. Illinois No.6 coal was treated by the explosive method in a mixed solvent of water and cyclohexanol using this unit. Changes in shape on the surface, specific surface area, and functional groups were analyzed. The explosively treated coal contained more amount of low boiling point components than the normally treated coal. It was suggested that the oil yield of explosively treated coal ...

1996-10-28

122

MRI of normal fetal brain development  

International Nuclear Information System (INIS)

Normal fetal brain maturation can be studied by in vivo magnetic resonance imaging (MRI) from the 18th gestational week (GW) to term, and relies primarily on T2-weighted and diffusion-weighted (DW) sequences. These maturational changes must be interpreted with a knowledge of the histological background and the temporal course of the respective developmental steps. In addition, MR presentation of developing and transient structures must be considered. Signal changes associated with maturational processes can mainly be ascribed to the following changes in tissue composition and organization, which occur at the histological level: (1) a decrease in water content and increasing cell-density can be recognized as a shortening of T1- and T2-relaxation times, leading to increased T1-weighted and decreased T2-weighted intensity, respectively; (2) the arrangement of microanatomical structures to create a symmetrical or asymmetrical environment, leading ...

2006-02-01

123

Unraveling electronic energy transfer in single conjugated polyelectrolytes encapsulated in lipid vesicles  

UK PubMed Central (United Kingdom)

A method for the study of conjugated polyelectrolyte (CPE) photophysics in solution at the single-molecule level is described. Extended observation times of single polymer molecules are enabled by the...Full Text Available

2010-10-12

124

Understanding Enzyme Activity Using Single Molecule Tracking (Poster)  

Energy Technology Data Exchange (ETDEWEB)

This poster describes single-molecule tracking and total internal reflection fluorescence microscopy. It discusses whether the carbohydrate-binding module (CBM) moves on cellulose, how the CBM binds to cellulose, and the mechanism of cellulosome assembly.

2009-06-01

125

Simulation of solid molecular hydrogen - a new twist to an old problem  

British Library Electronic Table of Contents (United Kingdom)

Solid molecular orthohydrogen exhibits orientational order at low temperatures. The orthohydrogen molecules, which are quadrupoles, order in the Pa3 structure. We have simulated this ordering, and explored the behaviour under dilution by spherical parahydrogen molecules.

2010-01-01

126

Multiple-Bond Kinetics from Single-Molecule Pulling Experiments: Evidence for Multiple NCAM Bonds  

UK PubMed Central (United Kingdom)

The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available

2005-11-01

127

Hyperfine splitting in the rotational levels of the C/sub 2/H molecule  

Energy Technology Data Exchange (ETDEWEB)

The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.

1980-11-01

128

Force-dependent chemical kinetics of disulfide bond reduction observed with single-molecule techniques  

UK PubMed Central (United Kingdom)

The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available

2006-05-09

129

Efficient preparation of internally modified single-molecule constructs using nicking enzymes  

UK PubMed Central (United Kingdom)

Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available

2011-02-01

130

Power Beaming, Orbital Debris Removal, and Other Space ...  

Science.gov (United States)

... transition to couple the emitted spontaneous radiation with the ammonia molecules and thus provide more amplification [2]. ...

2010-03-01

131
132

Inelastic collisions of molecular ions in the injected ion drift tube  

International Nuclear Information System (INIS)

... energy spectra inelastic scattering ion-molecule collisions mass spectrometers

1977-07-27

133

Efficiency of selective IR multiphoton dissociation of molecules in a pulsed gas-dynamic flow interacting with a solid surface  

International Nuclear Information System (INIS)

Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)

2000-08-31

134

Time-resolved triple-axis spectroscopy - a new method for real-time neutron scattering  

International Nuclear Information System (INIS)

A new method for kinetic experiments with neutrons is described. This method combines the conventional triple-axis neutron spectroscopy with relaxation-type experiments. Whereas the former method yields information about the microscopic dynamics of solids, the latter provides macroscopic relaxation times. The combination of both methods allows to determine the microscopic mechanism of relaxation processes. The time-resolved triple-axis spectroscopy is limited to reversible processes and to time scales from 10"-"3 to 10"4 s. Typical applications are the kinetics of phase transformations (structural and dynamical changes), kinetics of domain distributions, kinetics of (spinodal) decomposition, reversible solid state reactions, time-dependent occupation of phonon states or phonon lifetimes. (orig.).

1990-04-01

135

Study of oxygen diffusion in YBaCuO by isothermal internal friction. Etude par frottement interieur isotherme de la diffusion de l'oxygene dans YBaCuO  

Energy Technology Data Exchange (ETDEWEB)

The elastic behaviour of YBaCuO specimens has been studied by very low-frequency isothermal internal-friction measurements. A relaxation peak is observed which is attributed to oxygen atom jumps, between A(1/2 0 0) and B(0 1/2 0) sites, in the CuO planes of the orthorhombic phase. A limit relaxation time {tau}{sub 0}, 2.6 {center dot} 10{sup -15}s, and an activation energy, 1.3eV, have been obtained from the shift of the maximum damping frequency observed when the measurement temperature is changed. The proposed values for the limit relaxation time and the activation energy are in good agreement with those previously proposed in the literature.

1992-02-07

136

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

Energy Technology Data Exchange (ETDEWEB)

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

137

Spin dynamics in Ho_2Ru_2O_7  

International Nuclear Information System (INIS)

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

138

Mechanical properties of Cu-Ni-Be system alloys  

International Nuclear Information System (INIS)

The effects of addition of 0.17wt%Zr, 0.1wt%Mg and 0.1wt%Co on the mechanical properties of a Cu-1.2wt%Ni-0.2wt%Be alloy have been investigated. Adding Zr, Co or Mg to the Cu-Ni-Be alloy brings about the improvement in strength and stress relaxation property. The Zr, Co or Mg addition decreases the inter-precipitate spacing of #gamma#'' precipitates, resulting in the increase in strength. The higher resistance to the stress relaxation of the Zr- or Co-added alloy is attributed to the lower density of mobile dislocations. The improvement of stress relaxation property by the Mg addition is explained by the viscous glide motion of dislocations dragging Mg atoms, in addition to the lower density of mobile dislocations.

2010-07-01

139

Measurement of the relaxation time of hot electrons in laser-solid interaction at relativistic laser intensities  

Energy Technology Data Exchange (ETDEWEB)

The authors have measured the relaxation time of hot electrons in short pulse laser-solid interactions using a picosecond time-resolved x-ray spectrometer and a time-integrated electron spectrometer. Employing laser intensities of 10{sup 17}, 10{sup 18}, and 10{sup 19} W/cm{sup 2}, they find increased laser coupling to hot electrons as the laser intensity becomes relativistic and thermalization of hot electrons at timescales on the order of 10 ps at all laser intensities. They propose a simple model based on collisional coupling and plasma expansion to describe the rapid relaxation of hot electrons. The agreement between the resulting K{sub {alpha}} time-history from this model with the experiments is best at highest laser intensity and less satisfactory at the two lower laser intensities.

2006-08-22

140

Internal friction of amorphous Pd/sub 80/ Si/sub 20/ metal doped with hydrogen isotopes  

Energy Technology Data Exchange (ETDEWEB)

Internal friction of amorphous Pd/sub 80/Si/sub 20/ metal doped with hydrogen or deuterium was measured with a specially designed apparatus using amorphous metal sheet as a part of the electric oscillating circuit. Two peaks in Q/sup -1/ curve are observed. Applying the peak shift method to the first Snoek-like peak, we can determine the relaxation time from which the microdiffusion coefficient can be calculated. The obtained microdiffusion coefficient is about 10/sup -14/ m/sup 2//s at 200 K, being comparable with the macrodiffusion coefficient obtained from the releasing method. It can, however, not elucidate the hydrogen isotopic effect on the peak temperature of Q/sup -1/ curve, the activation energy for relaxation and the relaxation time from the present work because of the broadness of obtained Q/sup -1/ curve.

1983-02-01

141

Injection control and thermally stimulated current in ionic polarized polymer based light emitting diode  

International Nuclear Information System (INIS)

An effective method of enhancing charge injection and electroluminescence efficiency of polymer-based light emitting diode is introduced. Spin-coated films of poly (N-vinylcarbazole) blended with electron-transport material (Bu-PBD), laser dye (Coumarin6), and the typical supporting electrolyte (tetraethylammonium perchlorate; TEAP) were examined and it was found that the injection current and luminance of the light emitting diode doped with TEAP were enhanced dramatically after heat-treatment at 80 deg. C and appropriate biasing in an external electric field of 1.5x10"8 V/m at this temperature. The thermally stimulated current (TSC) was also measured to investigate the relaxation process of ionic space charges in the films. The relaxation times of ionic polarization were found to be related to the cation size of the electrolyte. And the relaxation time becomes long enough by the use of TEAP doping.

2003-08-22

142

Generation and relaxation of microstrains in GaN nanocrystals under extreme pressures  

International Nuclear Information System (INIS)

Nanocrystalline powders of GaN with grain sizes ranging from 2 to 30 nm were examined under high external pressures by in situ diffraction techniques in a diamond anvil cell at DESY (HASYLAB, Station F3). The experiments on densification of pure powders under high pressure were performed without a pressure medium. The mechanism of generation and relaxation of internal strains and their distribution in nanoparticles was deduced from Bragg reflections recorded in situ under high pressures at room temperature. The microstrain was calculated from the full-width at half-maximum (FWHM) values of the Bragg lines. It was found that microstrains in GaN crystallites are generated and subsequently relaxed by two mechanisms: generation of stacking faults and change of the size and shape of the grains occurring under external stress. (author)

2001-09-23

143

Behavior of Stress-Relaxation phenomena in Zr-1.1Nb-0.05Cu  

International Nuclear Information System (INIS)

Zirconium alloys have anisotropic mechanical properties depending on their physical orientations and are widely used as nuclear materials such as cladding tube material. An operation condition of the nuclear reactor requires a high creep resistance, because it is subjected to long period operations, high temperature and high pressure. Generally, it takes a few days or months to do the creep experiment, so it is difficult to get a data in short period. However, there is a way to predict a creep property by using the stress-relaxation in the short term. These studies realized the stress-relaxation through a compressive test of HANA-6 (Zr-1.1Nb-0.05Cu) alloy that was developed by KAERI (Korea Atomic Energy Research Institute), and then predicted the creep property

2010-10-01

144

An in situ observation of the growth kinetics and stress relaxation Pd sub 2 Si thin films on Si(111)  

Energy Technology Data Exchange (ETDEWEB)

The growth of the Pd{sub 2}Si thin fllms on Si(111) substrates has been monitored by an {ital in} {ital situ} x-ray diffraction technique in vacuum and in helium atmosphere from 160 to 250 {degree}C. A familiar parabolic growth rate was found, confirming the diffusion-controlled film growth process. The activation energies were found to be 1.34 and 1.37 eV for the measurements performed in vacuum and helium environment, respectively. Stress relaxation in the growing Pd{sub 2}Si fllm was observed when the reaction temperature exceeds 200 {degree}C. The relaxed films showed a higher degree of texture as evidenced by the rocking curve measurements.

1990-04-15

145

An efficient computational method for a stochastic dynamic lot-sizing problem under service-level constraints  

British Library Electronic Table of Contents (United Kingdom)

We provide an efficient computational approach to solve the mixed integer programming (MIP) model developed by Tarim and Kingsman [8] for solving a stochastic lot-sizing problem with service level constraints under the static-dynamic uncertainty strategy. The effectiveness of the proposed method hinges on three novelties: (i) the proposed relaxation is computationally efficient and provides an optimal solution most of the time, (ii) if the relaxation produces an infeasible solution, then this solution yields a tight lower bound for the optimal cost, and (iii) it can be modified easily to obtain a feasible solution, which yields an upper bound. In case of infeasibility, the relaxation approach is implemented at each node of the search tree in a branch-and-bound procedure to efficiently sear...

2011-01-01

146

An in situ observation of the growth kinetics and stress relaxation Pd sub 2 Si thin films on Si(111)  

Science.gov (United States)

The growth of the Pd{sub 2}Si thin fllms on Si(111) substrates has been monitored by an {ital in} {ital situ} x-ray diffraction technique in vacuum and in helium atmosphere from 160 to 250 {degree}C. A familiar parabolic growth rate was found, confirming the diffusion-controlled film growth process. The activation energies were found to be 1.34 and 1.37 eV for the measurements performed in vacuum and helium environment, respectively. Stress relaxation in the growing Pd{sub 2}Si fllm was observed when the reaction temperature exceeds 200 {degree}C. The relaxed films showed a higher degree of texture as evidenced by the rocking curve measurements.

1990-04-15

147

Non-destructive Imaging of Individual Bio-Molecules  

CERN Document Server

Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.

2009-01-01

148

Magnetic-field-induced phase transitions in Wigner molecules  

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are ...

2003-06-25

149

Light amplification by S/sub 2/ molecules in the visible spectrum under supersonic cooling of a sulfur-containing gas mixture  

Energy Technology Data Exchange (ETDEWEB)

The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.

1985-08-01

150

Dissociative electron attachment to rovibrationally excited molecules. Annual technical report no. 1, 1 August 1984-30 September 1985  

Energy Technology Data Exchange (ETDEWEB)

The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

1985-09-30

151

Uridine adenosine tetraphosphate induces contraction and relaxation in rat aorta  

UK PubMed Central (United Kingdom)

Uridine adenosine tetraphosphate (Up4A) has been recently reported as an endothelium-derived vasoconstrictor and plasma levels of this dinucleotide are increased in juvenile hypertensive...Full Text Available

2008-01-01

152

Structural, electronic and energetic properties of silicon carbon alloys  

International Nuclear Information System (INIS)

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly composition dependent. The electron densities ...

2007-01-15

153

Relaxant effects of hexosamines on isolated small human placental arteries  

DEFF Research Database (Denmark)

Wharton's jelly contains large amounts of hyaluronic acid, and glucosamine is an important constituent of this macromolecule. In order to evaluate the placental vascular effects of this aminosugar, small chorionic and stem villous arteries were dissected from placental specimens obtained at normal term vaginal deliveries (n = 15). Ring preparations were mounted in organ baths, and isometric wall tensions were measured. Glucosamine and its epimer galactosamine (5 X 10(-4) to 10(-2) M) produced marked relaxation of contractions induced by PGF2 alpha (10(-5) M) in both chorionic and stem villous arteries. The effect was unchanged after pretreatment with atropin, propranolol and indomethacin. The relaxant effect of the neutral sugar mannose was less pronounced compared with that of the hexosamines. Total tissue concentrations of placental hexosamines have been reported within the range needed to produce placental vascular ...

1987-01-01

154

Metallic seals offer improved resilience  

International Nuclear Information System (INIS)

Metallic O-ring or Helicoflex seals can prevent relaxation and provide greater resilience than composite seals, helping to keep joints leaktight. Their characteristics and applications in the nuclear industry are outlined. (Author).

155

Mechanism of Catch Force: Tethering of Thick and Thin Filaments by Twitchin  

UK PubMed Central (United Kingdom)

Catch is a mechanical state occurring in some invertebrate smooth muscles characterized by high force maintenance and resistance to stretch during extremely slow relaxation. During catch, intracellular...Full Text Available

2010-01-01

156

Induction of autolysis in nongrowing Escherichia coli.  

UK PubMed Central (United Kingdom)

Unless relaxation of the stringent response is achieved, all nongrowing bacteria rapidly develop resistance to autolysis induced by a variety of agents, including all classes of cell wall synthesis...Full Text Available

1986-09-01

157

Effect of #gamma#-irradiation on relaxation properties of sealants on organosilicon rubber base  

International Nuclear Information System (INIS)

The dielectrical properties of organosilicon sealants have been studied in the wide range of temperatures in the low and radio frequencies range. The effect of thermal treatment and #gamma#-irradiation on these properties is discussed.

158

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

UK PubMed Central (United Kingdom)

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

159

Dendroaspis natriuretic peptide is the most potent natriuretic peptide to cause relaxation of lower esophageal sphincter  

British Library Electronic Table of Contents (United Kingdom)

Atrial natriuretic peptide (ANP) causes relaxation in the opossum lower esophageal sphincter. The effects of dendroaspis natriuretic peptide (DNP) and other natriuretic peptides in the lower esophageal sphincter were not known. We measured the relaxation of transverse strips from the guinea pig lower esophageal sphincter caused by DNP, ANP, brain natriuretic peptide (BNP), C-type natriuretic peptide (CNP), and a natriuretic peptide receptor-C agonist des[Gln^1^8, Ser^1^9, Gly^2^0, Leu^2^1, Gly^2^2]ANP(4-23) amide (cANF(4-23)) in vitro. In resting strips of the guinea pig lower esophageal sphincter DNP and BNP caused marked relaxations. Furthermore, in both sarafotoxin S6c and carbachol-contracted lower esophageal sphincter strips, DNP caused marked and BNP caused moderate, concentration-de...

2011-01-01

160

Defect modelling  

International Nuclear Information System (INIS)

Calculations, drawing principally on developments at AERE Harwell, of the relaxation about lattice defects are reviewed with emphasis on the techniques required for such calculations. The principles of defect modelling are outlined and various programs developed for defect simulations are discussed. Particular calculations for metals, ionic crystals and oxides, are considered. (UK).

1980-03-01

161

Coping with Test Pain, Discomfort, and Anxiety  

Science.gov (United States)

... Search Help? Coping with Test Pain, Discomfort, and Anxiety Introduction | Be Prepared | Know Your Tests | Relax | Conclusion ... though they may feel some embarrassment, discomfort, or anxiety at the outset. If undergoing medical tests makes ...

162

Control of wrist position and muscle relaxation by shifting spatial frames of reference for motoneuronal recruitment: possible involvement of corticospinal pathways  

UK PubMed Central (United Kingdom)

It has previously been established that muscles become active in response to deviations from a threshold (referent) position of the body or its segments, and that intentional motor actions result from...Full Text Available

2010-05-01

163

Bimodal MR-PET agent for quantitative pH imaging  

UK PubMed Central (United Kingdom)

Activatable or “smart” magnetic resonance contrast agents have relaxivities that depend on environmental factors such as pH or enzymatic activity, but the MR signal depends on...Full Text Available

2010-03-22

164

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

UK PubMed Central (United Kingdom)

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

165

ALTERATION OF THE PKC-MEDIATED SIGNALING PATHWAY FOR SMOOTH MUSCLE CONTRACTION IN OBSTRUCTION-INDUCED HYPERTROPHY OF THE URINARY BLADDER  

UK PubMed Central (United Kingdom)

Normal urinary bladder function requires contraction and relaxation of the detrusor smooth muscle (DSM). The DSM undergoes compensatory hypertrophy in response to partial bladder outlet obstruction...Full Text Available

2009-07-01

166

Semantic network array processor and its applications to image understanding  

Energy Technology Data Exchange (ETDEWEB)

The problems in computer vision range from edge detection and segmentation at the lowest level to the problem of cognition at the highest level. This correspondence describes the organization and operation of a semantic network array processor (SNAP) as applicable to high level computer vision problems. The architecture consists of an array of identical cells each containing a content addressable memory, microprogram control, and a communication unit. The applications discussed in this paper are the two general techniques, discrete relaxation and dynamic programming. While the discrete relaxation is discussed with reference to scene labeling and edge interpretation, the dynamic programming is tuned for stereo.

1987-01-01

167

Relaxation oscillations and diffusion chaos in the Belousov reaction  

British Library Electronic Table of Contents (United Kingdom)

Asymptotic and numerical analysis of relaxation self-oscillations in a three-dimensional system of Volterra ordinary differential equations that models the well-known Belousov reaction is carried out. A numerical study of the corresponding distributed model-the parabolic system obtained from the original system of ordinary differential equations with the diffusive terms taken into account subject to the zero Neumann boundary conditions at the endpoints of a finite interval is attempted. It is shown that, when the diffusion coefficients are proportionally decreased while the other parameters remain intact, the distributed model exhibits the diffusion chaos phenomenon; that is, chaotic attractors of arbitrarily high dimension emerge.

2011-01-01

168

On the mechanism of the nonmonotonic relaxation processes in the metallic melts  

International Nuclear Information System (INIS)

The numerical analysis of the experimental data on viscosity change by time in the period after fast heating and crystal-liquid phase transition for the copper nonequilibrium melts and the Fe_7_0Cr_1_0P_1_3C_7 glass-forming melt near their melting temperatures is accomplished through the method of correlation functions and the Rytov-Dimentberg criterion. The observed dependences have nonmonotonic oscillating character but they do not relate to auto-oscillations. The proposed theoretical model of the properties oscillations origination by relaxation in the nonequilibrium liquids explains them as manifestation of noise-induced transitions in the metastable area near the critical temperatures (melting, structural transitions)

2000-01-01

169

Grain boundary dissociation by the emission of stacking faults  

Energy Technology Data Exchange (ETDEWEB)

A range of <110> symmetric tilt grain boundaries (GBs) are investigated in several fcc metals with simulations and high resolution electron microscopy. Boundaries with tilt angles between 50.5{degree} and 109.5{degree} dissociate into two boundaries 0.6 to 1.1 nm apart. The dissociation takes place by the emission of stacking faults from one boundary that are terminated by Shockley partials at a second boundary. This is a general mode of GB relaxation for low stacking fault energy metals. The reasons for the occurrence of this relaxation mode are discussed using the theory of GB dislocations.

1995-05-01

170

Dynamics of the Edge Transport Barrier at Plasma Biasing on the Castor Tokamak  

International Nuclear Information System (INIS)

A clear and reproducible transition to a regime with an improved particle confinement is routinely observed on the CASTOR tokamak, if the biasing electrode is inserted deep enough into the plasma (r/a?0.5) and biased up to +250 V. The steepening of the radial profiles of the plasma density and potential demonstrate the formation of a transport barrier just inside the last closed flux surface. Fast relaxations of the edge plasma parameters, with a frequency of about 10 kHz, are observed when the average radial electric field within the barrier prevails values of about 20 kV/m. A detailed analysis of the spatial-temporal behaviour of these relaxations is presented.

2006-01-01

171

Contrast factors in nuclear magnetic resonance imaging  

International Nuclear Information System (INIS)

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

172

Accelerated aging of EPDM and butyl elastomers  

Energy Technology Data Exchange (ETDEWEB)

This study was composed of three parts: a post cure study to optimize final properties of an ethylene-propylene-diene (EPDM) formulation, an accelerated aging study to compare the stress relaxation behavior of a butyl and an EPDM elastomer under compression, and a cursory evaluation of a new 70 Shore A EPDM. The optimum postcure for the EPDM was found to be 2 to 4 hours at 182{degrees}C in a vacuum. The EPDM was also shown to have superior aging characteristics compared to the butyl and is recommended for use instead of the butyl material. The physical properties for new 70 Shore A EPDM are satisfactory, and the stress relaxation behavior was only slightly inferior to the other EPDM.

1996-06-01

173

Well log evaluation of natural gas hydrates  

Energy Technology Data Exchange (ETDEWEB)

Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within ...

1992-10-01

174

Well log evaluation of natural gas hydrates  

Energy Technology Data Exchange (ETDEWEB)

Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within ...

1992-10-01

175

Formation and stabilization of anionic metal complexes in concentrated aqueous quaternary ammonium salt solutions  

Energy Technology Data Exchange (ETDEWEB)

Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl/sub 4//sup -/, which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO/sub 4//sup -/ by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized in dilute acid containing quaternary ammonium salts. Their UV ...

1985-02-04

176

A cryocondensation pump for the DIII-D Advanced Divertor Program  

Energy Technology Data Exchange (ETDEWEB)

A cryocondensation pump was designed for the baffle chamber of General Atomics DIII-D tokamak and will be installed in the fall of 1992. The purpose of the pump is to study plasma density control by pumping the divertor. The pump is toroidally continuous, approximately 10 m long and located in the lower outer corner of the vacuum chamber of the machine. It consists of a 1 m{sup 2} liquid helium-cooled surface surrounded by a liquid nitrogen-cooled shield to limit the heat load on the helium-cooled surface. The liquid nitrogen-cooled surface is surrounded by a radiation/particle shield to prevent energetic particles from impacting and releasing condensed water molecules. A thermal enhancement coating was applied to the nitrogen shell to lower the maximum temperature of the shell. The coating is non-continuous to keep the toroidal electrical resistance high. The whole pump is supported off the water-cooled vacuum vessel wall. ...

1992-03-01

177

Water Quality and 401 Certification | Clean Water Act | US EPA  

Science.gov (United States)

Clean Water Act You are here: Water Laws & Regulations Policy & Guidance Clean Water Act Water Quality and 401 Certification Water Quality and 401 Certification Water Quality...

2011-08-28

178

Monte Carlo analysis of radiative transport in oceanographic lidar measurements  

Energy Technology Data Exchange (ETDEWEB)

The analysis of oceanographic lidar systems measurements is often carried out with semi-empirical methods, since there is only a rough understanding of the effects of many environmental variables. The development of techniques for interpreting the accuracy of lidar measurements is needed to evaluate the effects of various environmental situations, as well as of different experimental geometric configurations and boundary conditions. A Monte Carlo simulation model represents a tool that is particularly well suited for answering these important questions. The PREMAR-2F Monte Carlo code has been developed taking into account the main molecular and non-molecular components of the marine environment. The laser radiation interaction processes of diffusion, re-emission, refraction and absorption are treated. In particular are considered: the Rayleigh elastic scattering, produced by atoms and molecules with small dimensions with respect to the laser emission wavelength ...

2001-07-01

179

SnPc on Ag(111) investigated by STM  

Energy Technology Data Exchange (ETDEWEB)

The investigation of interfaces between thin organic films and metal surfaces is a field of highest interest because it represents the basis for future applications of organic electronic devices. In this context, phtalocyanines are of particular interest since repulsive intermolecular interaction was found recently for this group of organic molecules. Tin(II)-phtalocyanine (SnPc) is non-planar and can adsorb in two different geometries: with the Sn atom pointing downwards (Sn down) or upwards (Sn up). In our group different Pc molecules have previously been studied using several experimental techniques like SPA-LEED or XSW. Here we present STM studies of SnPc on Ag(111), taken at different coverages and temperatures, and discuss the results in the context of our previous findings. At low coverages the formation of chains can be observed for Sn down molecules while Sn up molecules tend to stay separated. ...

2010-07-01

180

The MHC molecules of nonmammalian vertebrates.  

DEFF Research Database (Denmark)

There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...

1990-01-01

181

Studies of electron-molecule scattering at microelectronvolt energies using very-high-n Rydberg atoms  

International Nuclear Information System (INIS)

Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.

182

Mechanism of thermal excitation of the electron states of diatomic molecules behind a shock wave front  

Energy Technology Data Exchange (ETDEWEB)

Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.

1981-03-01

183

Anion formation from gaseous and condensed molecules on low-energy electron impact  

International Nuclear Information System (INIS)

The interaction of free electrons in the energy range from 0 to 10 eV with molecules at different stages of aggregation is investigated. The mechanism in the gas phase under single collision conditions is described. Fullerenes C_6_0 and C_7_0 are used as targets. Electron impact on condensed molecules can lead to temporary negative ions. The formation of Cl"- from gas phase CCl_4 and the desorption of Cl"- from 6 monolayer CCl_4 film on an Au substrate is determined experimentally. (Suda).

1994-03-20

185

Structure and Characterization of Nicotinic Acetylcholine ...  

Science.gov (United States)

... the ct-neurotoxin from Dendroaspis viridis venom (a-DTX) , which binds to four sites on the AcChR molecule (Conti-Tronconi & Raftery 1986). ...

1991-11-07

186

Shock Tunnel Studies of Scramjet Phenomena - NASA Technical Report ...  

Science.gov (United States)

Kinetic reaction mechanisms have a hierarchical smacture with mechanisms for complex fuels built up on sub-mechanisms for simple fuel molecules ...

187

Purinergic receptors in the splanchnic circulation  

UK PubMed Central (United Kingdom)

There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available

2008-09-01

188

On the spontaneous emergence of cell polarity  

UK PubMed Central (United Kingdom)

Diverse cell polarity networks require positive feedback for locally amplifying distributions of signalling molecules at the plasma membrane1. Additional...Full Text Available

2008-08-14

189

Newer molecules in the treatment of schizophrenia: A clinical update  

UK PubMed Central (United Kingdom)

Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available

2011-04-01

190

Molecules | Special Issue: Neuroactive Compounds  

Wastenet

... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...

191

Molecular structure and retention behaviour of some polycyclic aromatic and perhydroaromatic hydrocarbons on graphitized carbon black  

Energy Technology Data Exchange (ETDEWEB)

On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...

1984-04-01

192

Molecular Microscopy of Brain Gangliosides: Illustrating their Distribution in Hippocampal Cell Layers  

UK PubMed Central (United Kingdom)

Gangliosides are amphiphilic molecules found in the outer layer of plasma membranes of all vertebrate...Full Text Available

2011-02-21

193

Microdialysis unit for molecular weight separation  

Energy Technology Data Exchange (ETDEWEB)

The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...

1999-09-21

194

Micro-patterning of chemical functionality of anthracene-bis-resorcinol film using focused ion beam  

International Nuclear Information System (INIS)

Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes ...

2005-12-15

195

Metallointercalators and Metalloinsertors  

UK PubMed Central (United Kingdom)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available

2007-11-28

196

MHC-like molecules in some nonmammalian vertebrates can be detected by some cross-reactive xenoantisera.  

DEFF Research Database (Denmark)

Rabbit antisera raised to human and chicken MHC molecules were used to immunoprecipitate cross-reactive molecules from biosynthetically and cell surface-labeled spleen and/or blood cells of representative vertebrate species. Five major points emerged: 1) There were many nonspecific cross-reactions using these techniques, so various criteria were developed to distinguish these from true MHC-like molecules. 2) Only very small subpopulations of immunogen-specific antibodies cross-reacted with MHC-like molecules in other nonmammalian species. These subpopulations were different for each species and even within a species, sometimes being so limited as to behave like alloantisera. This led to a very scattered pattern of true cross-reactions that sometimes failed to reflect the properties of the bulk antibody population. 3) Antisera containing antibodies to class II beta- and class I alpha-chains cross-reacted ...

1990-01-01

197

Kinetic energy dependence of the reactions of N"+ ions with NO, CO, CO_2, N_2O and SO_2  

International Nuclear Information System (INIS)

... kinetics chemical reactions energy dependence ion-molecule collisions milli

1977-07-01

198

IDSS: deformation invariant signatures for molecular shape comparison  

UK PubMed Central (United Kingdom)

BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available

199

Fundamental research on explosives  

Energy Technology Data Exchange (ETDEWEB)

The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)

1983-01-01

200

Expression of cell proliferation and apoptosis biomarkers in pterygia and normal conjunctiva  

UK PubMed Central (United Kingdom)

PurposeTo analyze the expression of apoptosis and cell proliferation molecules in pterygium tissues of Chinese patients.MethodsThirty-three pterygia...Full Text Available

201

Diffusion in Brain Extracellular Space  

UK PubMed Central (United Kingdom)

Diffusion in the extracellular space (ECS) of the brain is constrained by the volume fraction and the tortuosity and a modified diffusion equation represents the transport behavior of many molecules...Full Text Available

2008-10-01

202

Demonstrating coherent control in 85Rb2 using ultrafast laser pulses: a theoretical outline of two experiments  

CERN Document Server

Calculations relating to two experiments that demonstrate coherent control of preformed rubidium-85 molecules in a magneto-optical trap using ultrafast laser pulses are presented. In the first experiment, it is shown that pre-associated molecules in an incoherent mixture of states can be made to oscillate coherently using a single ultrafast pulse. A novel mechanism that can transfer molecular population to more deeply bound vibrational levels is used in the second. Optimal parameters of the control pulse are presented for the application of the mechanism to molecules in a magneto-optical trap. The calculations make use of an experimental determination of the initial state of molecules photoassociated by the trapping lasers in the magneto-optical trap and use shaped pulses consistent with a standard ultrafast laser system.

2009-01-01

203

Chronic Recording of Regenerating Vlllth Nerve Axons with a Sieve ...  

Science.gov (United States)

SLPL molecule to stimulate sufficient growth to have nerve sprouts enter the electrode and establish a neural interface for prosthesis control. ...

204

Characterization of lymphocyte receptors for glycosaminoglycans.  

UK PubMed Central (United Kingdom)

This paper describes attempts to isolate and characterize glycosaminoglycan (GAG)-binding molecules on the surface of lymphocytes and lymphoma cell lines and relate their expression to splenic and lymph...Full Text Available

1991-02-01

205

Caenorhabditis elegans Pheromones Regulate Multiple Complex Behaviors  

UK PubMed Central (United Kingdom)

Summary of recent advancesA family of small molecules called ascarosides act as pheromones to control multiple behaviors in the nematode Caenorhabditis elegans....Full Text Available

2009-08-01

206

Analysis of Mammalian Carboxylesterase Inhibition by Trifluoromethylketone-Containing Compounds  

UK PubMed Central (United Kingdom)

Carboxylesterases (CE) are ubiquitous enzymes that hydrolyze numerous ester-containing xenobiotics, including complex molecules, such as the anticancer drugs irinotecan (CPT-11) and capecitabine...Full Text Available

2007-03-01

207

Adsorption and Dissociation of Molecular Hydrogen on the (0001) Surface of DHCP Americium  

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

2009-03-01

208

A fast model for estimating work-function modifications induced by organic charge-transfer (Sub)monolayers  

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent ...

2010-07-01

209

Snow Survey & Water Supply | NRCS  

Science.gov (United States)

Programs & Services Technical Resources Land Use Soils Water Snow Survey & Water Supply Water Management Water Quality Watersheds Wetlands Air Plants & Animals Energy Climate...

2011-08-21

210

Experimental study of lipiodol ultra-fluid. On its signal intensity in MR imaging  

Energy Technology Data Exchange (ETDEWEB)

Lipiodol Ultra-Fluid (Lipiodol) is widely applied in the transcatheter arterial embolization (TAE). We studied signal intensity, the T1 relaxation time and the T2 relaxation time of Lipiodol itself using Siemens Magnetom H15-2 T (1.5 Tesla) and Magnetom M10 (1.0 Tesla). Lipiodol showed higher signal intensity than saline solution on the T1-weighted images (short TR, short TE technique in spin echo method). On the T2-weighted images (long TR, long TE technique in spin echo method), Lipiodol showed lower signal intensity than saline solution. The T1 relaxation time of Lipiodol, measured at 1.0 T, was 201 msec and 218 msec at 1.5 T. The T2 relaxation time of Lipiodol, measured at 1.0 T, was 127 msec; and 167 msec at 1.5 T. The signal intensity of Lipiodol at 1.0 T was higher than the intensity at 1.5 T. Shorter T1 relaxation time of Lipiodol at 1.0 T is probably responsible for the ...

1988-11-01

211

Development of fire simulation models for radiative heat transfer and probabilistic risk assessment  

Energy Technology Data Exchange (ETDEWEB)

An essential part of fire risk assessment is the analysis of fire hazards and fire propagation. In this work, models and tools for two different aspects of numerical fire simulation have been developed. The primary objectives have been firstly to investigate the possibility of exploiting state-of-the-art fire models within probabilistic fire risk assessments and secondly to develop a computationally efficient solver of thermal radiation for the Fire Dynamics Simulator (FDS) code. In the first part of the work, an engineering tool for probabilistic fire risk assessment has been developed. The tool can be used to perform Monte Carlo simulations of fires and is called the Probabilistic Fire Simulator (PFS). In Monte Carlo simulation, the simulations are repeated multiple times, covering the whole range of variability of the input parameters and thus resulting in a distribution of results covering what can be expected in reality. In practical applications, advanced simulation techniques ...

2008-07-01

212

The interaction of alcohol radicals with human hemoglobin. Pt. 1. Spectral properties of hemoglobin in the visible range  

International Nuclear Information System (INIS)

Aqueous deoxyhemoglobin solutions (2 mg/ml) were gamma-irradiated by a "6"0Co source in the presence of methanol, ethanol, 1-butanol and t-butanol under N_2O or argon. The effects of the interaction of the particular alcohol radical species with hemoglobin were determined according to the detected spectral alterations in the visible range. The amounts of stable final products in the form of methemoglobin (MetHb) and the sum of hemichromes and cholehemichromes (Hemichr) were estimated in irradiated preparations. For preparations irradiated under N_2O, the radiation yield for MetHb formation was three-fold lower in the presence of ethanol and 1-butanol [G(MetHb) = 0.33[ compared with preparations irradiated in the presence of t-butanol or without alcohol [G(MetHb) = 1.00[. The yield of hemichromes and cholehemichromes in preparations irradiated under N_2O increased in the order: ethanol (G = 0.38), 1-butanol (B = 0.52), t-butanol (G = 0.59), and in the absence of alcohol (G 0.72). The ...

213

The importance of accurate crystal structure determination of uranium minerals. Pt. 1  

International Nuclear Information System (INIS)

On the basis of accurate crystal structure determination, the mineral phosphuranylite corresponds to the chemical formula KCa(H_3O)_3(UO_2)_7(PO_4)_4O_4.8H_2O. Cmcm, a=15.778 (3)-15.899(2), b=13.702(2)-13.790(5), c=17.253(3)-17.330(3)A, Z=4, D_x=4.575-4.631g cm"-"3, #mu#=287.6-291.1cm"-"1. The presence of potassium (about 1.80wt%K_2O), overlooked until now, has been confirmed by microprobe analysis on samples from four different localities. The best data for structure determination have been obtained by single-crystal X-ray diffraction on specimens from Capoterra, Sardinia, and Bois Noirs, France; here 1453 and 1254 independent reflections, respectively, were used in the refinement, and the corresponding final R index is 0.036 and 0.048. The structure consists of layers of phosphate groups connected with hexagonal, pentagonal and tetragonal dipyramids centered on the U atoms. The Ca and K atoms are located within channels in the uranylphosphate framework, together with ...

214

Systemic responses to inhaled ozone in mice: cachexia and down-regulation of liver xenobiotic metabolizing genes  

International Nuclear Information System (INIS)

Rats or mice acutely exposed to high concentrations of ozone show an immediate and significant weight loss, even when allowed free access to food and water. The mechanisms underlying this systemic response to ozone have not been previously elucidated. We have applied the technique of global gene expression analysis to the livers of C57BL mice acutely exposed to ozone. Mice lost up to 14% of their original body weight, with a 42% decrease in total food consumption. We previously had found significant up-regulation of genes encoding proliferative enzymes, proteins related to acute phase reactions and cytoskeletal functions, and other biomarkers of a cachexia-like inflammatory state in lungs of mice exposed to ozone. These results are consistent with a general up-regulation of different gene families responsive to NF-#kappa#B in the lungs of the exposed mice. In the present study, we observed significant down-regulation of different families of mRNAs in the livers of ...

2005-10-15

215

Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis  

Energy Technology Data Exchange (ETDEWEB)

Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water molecule that is ...

2010-03-08

216

Probing the Early Stages of Low-Mass Star Formation in LDN 1689N: Dust and Water in IRAS 16293-2422A, B, and E  

CERN Document Server

We present deep images of dust continuum emission at 450, 800, and 850 micron of the dark cloud LDN 1689N which harbors the low-mass young stellar objects (YSOs) IRAS 16293-2422A and B (I16293A and I16293B) and the cold prestellar object I16293E. Toward the positions of I16293A and E we also obtained spectra of CO-isotopomers and deep submillimeter observations of chemically related molecules with high critical densities. To I16293A we report the detection of the HDO 1_01 - 0_00 and H2O 1_10 - 1_01 ground-state transitions as broad self-reversed emission profiles with narrow absorption, and a tentative detection of H2D+ 1_10 - 1_11. To I16293E we detect weak emission of subthermally excited HDO 1_01 - 0_00. Based on this set of submillimeter continuum and line data we model the envelopes around I16293A and E. The density and velocity structure of I16293A is fit by an inside-out collapse model, yielding a sound speed of a=0.7 km/s, an age of t=(0.6--2.5)e4 yr, and a ...

2004-01-01

217

On the anatomy of the adsorption heat versus loading as a function of temperature and adsorbate for a graphitic surface.  

Science.gov (United States)

In this paper we review and classify the various patterns of isosteric heat versus loading for adsorption of gases on graphitised thermal carbon black at temperatures ranging from below the 3D triple point to temperatures above it, but less than the 3D critical point. We have identified the features of heat curve and highlighted the microscopic origin of these features. The patterns vary with temperature and with the relative strength of the fluid-fluid interaction and solid-fluid interaction. For simple adsorptives (by simple we meant there is no strong association between fluid particles), the heat curve is typified by fluid-fluid attraction and layering phenomena. For adsorptives showing strong association such as water, ammonia and methanol, the heat curve essentially begins below the condensation heat and then approaches it as loading is increased. This is mainly due to the strong hydrogen bonding in these fluids. A third group includes adsorptives such as ...

2008-05-24

218

In situ spectroscopic and corrosion studies of ultra-thin gradient plasma polymer layers on zinc  

International Nuclear Information System (INIS)

By means of an audio frequency plasma polymerisation ultra-thin gradient plasma polymer layers were deposited on zinc and zinc-coated iron. The aim was to generate an interfacial polymeric layer which bonds to an oxidised metal as well as to a subsequently applied organic coating and acts as an interfacial barrier layer for ions and water. Surface modifications were done in an in situ plasma cell with infrared reflection absorption spectroscopy (IRRAS). The zinc surface was first activated by an oxygen plasma to provide a freshly oxidised and contamination free oxide surface. The intermediate stages of the surface reactions could be revealed. Carbon dioxide molecules as oxidation products adsorbed on the growing zinc oxide and were desorbed at a later stage. An organosilicon plasma polymer was deposited directly on top of the oxide layer from a hexamethyldisilane (HMDS) plasma. Afterwards a cyclohexene (CHEX)/hexamethyldisilane co-plasma ...

2003-07-15

219

Some computer simulations of semiconductor thin film growth and strain relaxation in a unified atomistic and kinetic model  

Energy Technology Data Exchange (ETDEWEB)

An overview is provided of an evolving atomistic and kinetic model of semiconductor growth that unifies the main features of strain relaxation in low and high lattice misfit heteroepitaxy. The model reveals a kinetic pathway for dislocation formation during growth with little or no energy cost at low misfits, thus providing a way out of the longstanding dilemma of too high dislocation nucleation energies predicted by classical theories of the equilibrium behavior of a fixed number of particles at low misfits. The essential kinetic process underlying the model are identified on the basis of comparison of the predictions of kinetic Monte-Carlo simulations of growth with real-time or in-situ data obtained in such experiments as reflection high-energy electron diffraction (RHEED) and scanning probe microscopy (SPM). Relative significance of these atomistic kinetic processes is shown to naturally lead to strain relaxation via defect initiation at ...

1996-12-31

220

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

International Nuclear Information System (INIS)

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 constituted by cellulose, hemicellulose and ...

2005-11-06

221

Lattice relaxation around impurity atoms in semiconductors - arsenic in silicon - a comparison between experiment and theory  

International Nuclear Information System (INIS)

We have measured the lattice relaxation around As in Si at a homogeneous As concentration of 4x10"1"8 cm"-"3 by EXAFS spectroscopy. From the absorption spectra, distances up to the 4th shell could be extracted. A sizeable misfit due to an increased distance is only observed for the 1st shell. Complementing our experimental work we have performed ab initio calculations based on the density functional theory with the WIEN97 package which uses the linearised augmented plane wave method and with the FHI96md program which uses first-principles pseudo-potentials and a plane wave basis set to investigate the size dependence of the super-cells constructed around one substitutional As atom. The calculations yielded good agreement with our EXAFS experiment so that the determined relaxations can be used as a solid basis for further interpretations of derived parameters such as hyperfine interaction parameters in defect complexes.

2003-01-01

222

Luminescence of Strontianite (SrCO{sub 3}) from Strontian (Scotland, UK)  

Energy Technology Data Exchange (ETDEWEB)

An historic Strontianite-type specimen from Strontian, Scotland, UK, was characterized to broaden our knowledge on luminescence properties of common carbonates. These fibrous aggregates are Strontianite (Sr{sub x}Ca{sub 1-x}CO{sub 3}) with circa 6% of CaO, interfacial water, hydrosilicate anions and substitutional divalent cations, e.g., Ca{sup 2+}, Mn{sup 2+}, Fe{sup 2+} in structural Sr{sup 2+} positions. The specimen was analyzed by X-ray Fluorescence Spectrometry (XRF), Environmental Scanning Electron Microscopy coupled with an Energy Dispersive X-ray Spectroscopy (ESEM-EDS) probe, Spatially-resolved Cathodoluminescence under the Scanning Electron Microscope (SEM-CL), Differential-Thermal Analyses (DTA), Thermogravimetry (TG), Thermoluminescence (TL), Radioluminescence (RL) and High Resolution Spectra Thermoluminescence (3DTL), to gain an overview of the spectral emissions, the defect linkages were modified by heating from room temperature (RT) up to 500 deg. ...

2009-04-15

223

The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

2009-01-01

224

The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines  

Science.gov (United States)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

2009-04-01

225

Stereochemistry definition of small organic molecules in solution: [H-H] NOE + molecular mechanics; Okreslenie sterochemii malych czasteczek organicznych w roztworze: [H-H] NOE + mechanika molekularna  

Energy Technology Data Exchange (ETDEWEB)

Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.

1994-12-31

226

Monoclonal antibodies to ovine SBU-T8 and SBU-T6 bind analogous molecules on bovine lymphocytes.  

UK PubMed Central (United Kingdom)

Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available

1989-06-01

227

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-01-01

228

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black  

Science.gov (United States)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-04-01

229

Hyperfine interactions in HCOOD and DCOOH molecules  

Energy Technology Data Exchange (ETDEWEB)

The method of double microwave--radio-frequency resonance has been used to obtain spectra of the 2/sub 11/reverse arrow2/sub 12/ and 3/sub 21/reverse arrow3/sub 22/ transitions in HCOOD, DCOOH, and HCOOH molecules. The constants of the quadrupole bond of the deuterons have been determined, magnetic interactions being taken into acocunt. A comparison with results of previous studies is given.

1986-05-01

230

A Small-Molecule p53 Activator Induces Apoptosis through Inhibiting MDMX Expression in Breast Cancer Cells12  

UK PubMed Central (United Kingdom)

The tumor suppressor p53 is often inactivated in breast cancer cells because the overexpression of its repressors (e.g., MDM2 and MDMX). Restoration of p53 activity by small molecules through counteracting...Full Text Available

2011-07-01

231

Two dimensional NMR and NMR relaxation studies of coal structure  

Energy Technology Data Exchange (ETDEWEB)

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 group rotation in the proton NMR relaxation behavior of coals.

1992-11-25

232

Transverse-field Formula Not Shown SR and magnetic disorder in Formula Not Shown  

British Library Electronic Table of Contents (United Kingdom)

We have carried out transverse-field ( Formula Not Shown ) Formula Not Shown SR experiments in Formula Not Shown for temperatures from 300 down to 2.2K. The muon-decay asymmetry can be fit to a stretched exponential relaxation function: Formula Not Shown . The exponent Formula Not Shown for Formula Not Shown , but drops continuously below this temperature (being Formula Not Shown for Formula Not Shown and reaching Formula Not Shown near 2K). The characteristic relaxation rate Formula Not Shown grows six-fold in the experimental temperature range (from Formula Not Shown for Formula Not Shown to Formula Not Shown for Formula Not Shown ). Independently of theoretical models, the behavior of these parameters is consistent with strong magnetic disorder. Although the magnetic susceptibility of F...

2008-01-01

233

The significance of local hard zones on the outside of pipeline girth welds: Further studies  

Energy Technology Data Exchange (ETDEWEB)

The NACE MR-01-75 standard imposes a restriction of 22HRC maximum for regions of a pipeline girth weld that are not in direct contact with H[sub 2]S containing environments. TWI have demonstrated in an earlier project for the Pipeline Research Committee (PRC) that it may be permissible to relax this maximum hardness requirement. Such a relaxation, which already exists in the BS4515: 1984 standard, offers potential benefits when applied to the capping pass and heat affected zone of a pipeline girth weld. This report presents additional data to supplement that obtained in a previous PRC project conducted at TWI. Further pipe materials with differing pipe wall thicknesses have been welded, exposed to an internal H[sub 2]S containing environment and examined for sulphide stress corrosion cracking.

1991-10-01

234

Modulation of proton NMR free induction decay by spin diffusion  

Energy Technology Data Exchange (ETDEWEB)

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

235

Mesodynamics in the SARS nucleocapsid measured by NMR field cycling  

Energy Technology Data Exchange (ETDEWEB)

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

236

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

Energy Technology Data Exchange (ETDEWEB)

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

237

Dissipative dynamics of circuit-QED in the mesoscopic regime  

CERN Document Server

We investigate the behavior of a circuit QED device when the resonator is initially populated with a mesoscopic coherent field. The strong coupling between the cavity and the qubit produces an entangled state involving mesoscopic quasi-pointer states with respect to cavity dissipation. The overlap of the associated field components results in collapse and revivals for the Rabi oscillation. Although qubit relaxation and dephasing do not preserve these states, a simple analytical description of the dissipative dynamics of the circuit QED device including cavity relaxation as well as qubit dissipation is obtained from the Monte-Carlo approach. Explicit predictions for the spontaneous and induced Rabi oscillation signals are derived and sucessfully compared with exact calculations. We show that these interesting effects could be observed with a 10 photon field in forthcoming circuit QED experiments.

2007-01-01

238

Control area performance improvement by extended security constrained economic dispatch  

Energy Technology Data Exchange (ETDEWEB)

An algorithm for solving the extended security constrained economic dispatch (ESCED) problem with real-time economic dispatch grade speed and reliability is presented. The ESCED problem is formulated by adding regulating margin and ramp rate constraints to the network security constrained economic dispatch problem previously solved by the CEDC algorithm. Starting with Newton`s method to optimize the Lagrangian, the ESCED is developed by superimposing on Newton`s method eight major components called Tracking Start Initialization, Hessian Pre-Elimination, Implicit Dual Variable Calculations, Regulating Margin Sensitivity Coefficient Calculations, Traumatic Event Evaluation, Constraint Relaxation, Implicit Ramp Rate Constraint Implementation, and Relaxed Incremental Cost Calculations. Test results are also presented.

1997-02-01

239

Alignment of nematic liquid crystals on mixed Langmuir-Blodgett mono-layers  

CERN Document Server

Mono-layers of stearic and behenic acids and mixtures of them in different proportions, deposited with the Langmuir-Blodgett technique, were used to study the alignment and the alignment dynamics in nematic liquid crystal cells. A relaxation process from a splay-bend flow induced metastable orientation to the homeotropic one occurs. The lifetime of the metastable state was found to depend on the mono-layer composition. The transition between the homeotropic and the conical anchoring was found to be irreversible in the case of the mixed aligning mono-layers: on cooling from the isotropic phase a quasi-planar nematic state (schlieren texture) appears. It is stable in a range of a few degrees below the clearing point and, on decreasing the temperature, relaxes to the homeotropic state in form of expanding domains.

1998-01-01

240

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...

2008-07-01

241

Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase  

Energy Technology Data Exchange (ETDEWEB)

Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these ...

2009-08-17

242

Can circular dichroism in core-level photoemission provide a spectral fingerprint of adsorbed chiral molecules?  

International Nuclear Information System (INIS)

The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...

2005-04-01

243

Water Quality Criteria | Water Quality Criteria | US EPA  

Science.gov (United States)

for? Learn the Issues Science & Technology Laws & Regulations About EPA Contact Us Water: Water Quality Criteria You are here: Water Science & Technology Surface Water Standards &...

2011-08-28

246

Photocatalytic oxidation and reduction chemistry and a new process for treatment of pink water and related contaminated water  

Energy Technology Data Exchange (ETDEWEB)

The objective of this project was to develop new photocatalytic or other innovative process chemistry for the treatment of pink water and related contaminated water.

1996-10-01

247

Relationship between microstructural evolution and low cycle fatigue behaviour at 550/sup 0/C of alloy 800 grade 2  

Energy Technology Data Exchange (ETDEWEB)

In this study, deformation modes and precipitations have been characterized in test pieces made of alloy 800, grade 2 hyper-hardened state and age-conditioned for 3000 h at 550/sup 0/C, used for steam generator tubes of the Super Phenix Reactor, after continuous fatigue and fatigue-relaxation tests in the oligocyclic range. This microstructural study has provided an interpretation of the fatigue behaviour of the material.

1989-01-01

248

On the theory of transient enhanced diffusion in boron-implanted silicon  

Energy Technology Data Exchange (ETDEWEB)

Transient enhanced diffusion in boron-implanted silicon is interpreted as being due to the fact that during rapid thermal annealing a relaxation process takes place, associated with quasi-chemical reactions including defects. A simple analytical model makes it possible to describe the annealing mechanism on a microscopic scale in terms of reaction-diffusion processes. The measured dependences of the boron diffusion coefficient of the enhanced diffusion on time, temperature and implantation energy are satisfactorily explained. (author).

1991-01-01

249

On the theory of transient enhanced diffusion in boron-implanted silicon  

International Nuclear Information System (INIS)

Transient enhanced diffusion in boron-implanted silicon is interpreted as being due to the fact that during rapid thermal annealing a relaxation process takes place, associated with quasi-chemical reactions including defects. A simple analytical model makes it possible to describe the annealing mechanism on a microscopic scale in terms of reaction-diffusion processes. The measured dependences of the boron diffusion coefficient of the enhanced diffusion on time, temperature and implantation energy are satisfactorily explained. (author).

250

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

International Nuclear Information System (INIS)

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).

251

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

Science.gov (United States)

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

252

Molecular dynamics simulation of nanoctrystalline nickel: structure and mechanical properties  

Energy Technology Data Exchange (ETDEWEB)

Molecular dynamics computer simulations of a dense nanocrystalline Nickel sample are performed on the parallel Cray T3 (EPFL-Lausanne). The sample contains 50 grains with an average size of 3 nm. By perturbing the relaxed configuration elastic and plastic properties are studied. (author) 1 fig., 1 ref.

1996-10-01

253

Model for ionic hopping in Li/sub 3/N  

Energy Technology Data Exchange (ETDEWEB)

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

254

Metastability and dynamics of the shock-induced phase transition in iron  

Energy Technology Data Exchange (ETDEWEB)

The shock-induced {alpha}(bcc){r_arrow}{var_epsilon}(hcp) transition in iron begins at 13 GPa on the Hugoniot. In the two-phase region above 13 GPa, the Hugoniot lies well above the equilibrium surface defined by G{sub {alpha}}=G{sub {var_epsilon}}, with G the Gibbs free energy. Also, the phase transition relaxation time {tau} is uncertain, with estimates ranging from {lt}50 ns to {approx}180 ns. Here we present an extensive study of these important aspects, metastability and dynamics, of the {alpha}-{var_epsilon} transition in iron. Our primary theoretical tools are (a) accurate theoretically based free energies for {alpha} and {var_epsilon} phases of iron and (b) accurate calculations of the wave evolution following planar impacts. We define metastable surfaces for forward and reverse transitions by the condition that the thermodynamic driving force G{sub {alpha}}{minus}G{sub {var_epsilon}} is just balanced by an opposing force resulting from elastic stresses, ...

1997-02-01

255

Layerwise reaction at a buried interface  

Energy Technology Data Exchange (ETDEWEB)

X-ray diffraction was used to monitor the {ital in} {ital situ} reaction of Pd deposited on Si(111) at room temperature. An ordered silicide forms spontaneously beneath a poorly ordered overlayer. It is commensurate and strained at low coverage, but relaxes to an unstrained state above a critical thickness of 18 A. During both phases of growth sustained intensity oscillations are seen that correspond to a layerwise consumption of the substrate at the buried interface.

1992-10-26

256

Influence of electric-field is on luminescence of ZnSe  

International Nuclear Information System (INIS)

The results of experimental researches of photoluminescence and X-ray luminescence in crystal ZnSe are presented at the different values of tension of electric-field to samples. Observed, that the electric field changes both intensity of stationary luminescence and form of bars in the spectrums of luminescence. At the saliatory change of difference of potentials on the electrodes of crystal in luminescence there are of long duration relaxation processes character of which substantially depends on the type of excitation of standard.

257

Contribution of surface rayleigh waves to the heat capacity of poly(vinyl chloride)  

British Library Electronic Table of Contents (United Kingdom)

The method of surface acoustic waves is employed to determine the frequency and temperature dependences of the molar heat capacity of poly(vinyl chloride) on the contribution of Rayleigh local components of the longitudinal and transverse vibrations of structural units of the polymer. The calculated and experimental data are compared in terms of their dependence on the relaxation state of the system.

2009-01-01

258

Tuning the spin state of iron phthalocyanine by ligand adsorption  

International Nuclear Information System (INIS)

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

259

Time-of-flight measurements of light molecular ions scattered at grazing incidence from a Ni(111) surface  

Energy Technology Data Exchange (ETDEWEB)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.

1984-03-01

260

Time-of-flight measurements of light molecular ions scattered at grazing incidence from a Ni(111) surface  

International Nuclear Information System (INIS)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10"0 with primary energies between 200 eV and 15 keV. The energy resolution #DELTA#E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H_2"+ and 4430 eV N_2"+ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths. (orig.).

261

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

2008-01-01

262

Small angle X-ray scattering on concentrated hemoglobin solutions  

International Nuclear Information System (INIS)

The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).

263

Nonlinear conductivity with an extremely small threshold electric field in the organic conductor (TSM-TTP)(I3)5/3  

Science.gov (United States)

(TSM-TTP)(I3)5/3 is a 1/6 -filled one-dimensional system composed of an extended donor molecule which has two tetrathiafulvalene (TTF) units in a molecule, where TSM-TTP is 2,5-bis[4,5-bis(methylseleno)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalene. Nonlinear conductivity is observed in the insulating state below 20K , and the metallic state is restored above a very small threshold electric field of 0.3V/cm at 4.2K . The extremely sensitive nonlinearity is ascribed to the inhomogeneous insulating state generated by the weak and disordered anion potentials on the otherwise highly conducting intramolecular charge order state in the double-TTF molecule.

2007-06-01

264

Layered double hydroxide as novel antibacterial drug delivery system  

British Library Electronic Table of Contents (United Kingdom)

The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...

2010-01-01

265

Identity and yield of positive charge centers in irradiated chloro hydrocarbon liquids and the rates of their interaction with solute molecules. [3-4 MeV electrons  

Science.gov (United States)

Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.

1979-07-26

266

Identity and yield of positive charge centers in irradiated chloro hydrocarbon liquids and the rates of their interaction with solute molecules  

International Nuclear Information System (INIS)

Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.

1979-07-01

267

Electron transport through asymmetric DNA molecules  

British Library Electronic Table of Contents (United Kingdom)

We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...

2010-01-01

268

A classical model for the magnetic field-induced Wigner crystallization in quantum dots  

Energy Technology Data Exchange (ETDEWEB)

A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.

2004-03-03

269

Water resources data for Oklahoma, water year 1992. Volume 2. Red River Basin. Water-data report (Annual), 1 October 1991-30 September 1992  

Energy Technology Data Exchange (ETDEWEB)

Volume 2 of the water resources data for the 1992 water year for Oklahoma consists of record of stage, discharge, and water quality of streams; stage, contents, and water quality of lakes or reservoirs; and water levels of ground-water well. The report contains discharge records for 136 gaging stations; stage and contents for 31 lakes or reservoirs; water quality for 50 gaging stations. Also included are 61 partial-record or miscellaneous streamflow stations and 28 ground-water sites.

1993-04-01

270

Safe Water in an Emergency  

Medline Plus

English - Safe Water in an Emergency Click to Stop Video Click to Start Video To Listen to ...

271

Vitamin A Enhances Antitumor Effect of a Green Tea Polyphenol on Melanoma by Upregulating the Polyphenol Sensing Molecule 67-kDa Laminin Receptor  

UK PubMed Central (United Kingdom)

BackgroundGreen tea consumption has been shown to have cancer preventive qualities. Among the constituents of green tea, (-)-Epigallocatechin-3-O-gallate (EGCG)...Full Text Available

272

Towards hyperpolarized 13C-succinate imaging of brain cancer  

UK PubMed Central (United Kingdom)

We describe a novel 13C enriched precursor molecule, sodium 1-13C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available

2007-05-01

273

The oxidative stress theory of aging: embattled or invincible? Insights from non-traditional model organisms  

UK PubMed Central (United Kingdom)

Reactive oxygen species (ROS), inevitable byproducts of aerobic metabolism, are known to cause oxidative damage to cells and molecules. This, in turn, is widely accepted as a pivotal determinant of...Full Text Available

2008-09-01

274

The effect of lipopolysaccharide on bovine mammary macrophage function.  

UK PubMed Central (United Kingdom)

The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available

1991-07-01

275

The LW blood group glycoprotein is homologous to intercellular adhesion molecules.  

UK PubMed Central (United Kingdom)

The LW blood group antigens reside on a 42-kDa erythrocyte membrane glycoprotein that was purified by immunoaffinity and partially sequenced. From this information, a specific PCR-amplified DNA fragment...Full Text Available

1994-06-07

276

The Atmospheric Trace ... - NASA Langley Science Directorate  

Science.gov (United States)

Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...

277

Syndecan-Fc Hybrid Molecule as a Potent In Vitro Microbicidal Anti-HIV-1 Agent?  

UK PubMed Central (United Kingdom)

In the absence of a vaccine, there is an urgent need for the development of safe and effective topical microbicides to prevent the sexual transmission of human immunodeficiency virus type 1 (HIV-1)....Full Text Available

2010-07-01

278

Synaptic Signaling and Aberrant RNA Splicing in Autism Spectrum Disorders  

UK PubMed Central (United Kingdom)

Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available

279

Studies of ultra-low energy electron-molecule collisions using very-high-n Rydberg atoms  

International Nuclear Information System (INIS)

Potassium atoms in selected high-lying np Rydberg states (80 #<=# n #<=# 400) are being used as a tool to examine electron-polar molecule collisions at ultra-low energies (#approx#80 #mu#eV - 1 meV). This energy regime has not been investigated previously and is of interest because the corresponding electron de Broglie wavelength is large, #approx#1300 - 330 Angstrom, and because the collision time is comparable to the period of molecular rotation. A variety of target molecules has been studied, including simple rotors such as HF, and more complex species such as NH_3, CH_3I, CH_2Br_2 and C_6H_5NO_2. These targets encompass a range of dipole moments and rotational behavior, but analysis of the data shows that in each case the cross section #sigma#(#epsilon#) for rotationally-inelastic electron-polar molecule scattering varies approximately as 1/#epsilon# where #epsilon# is the electron energy. Such threshold behavior ...

1993-05-16

280

Structure of Natural Killer Cell Receptor KLRG1 Bound to E-Cadherin Reveals Basis for MHC-Independent Missing Self Recognition  

UK PubMed Central (United Kingdom)

SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available

2009-07-17

281

Structural basis of ligand binding by a c-di-GMP riboswitch  

UK PubMed Central (United Kingdom)

The second messenger signaling molecule bis-(3′-5′)-cyclic dimeric guanosine monophosphate (c-di-GMP) regulates many processes in bacteria, including motility, pathogenesis,...Full Text Available

2009-12-01

282

Stochastic simulation of the transducin GTPase cycle.  

UK PubMed Central (United Kingdom)

On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available

1996-12-01

283

Single Molecule Source Reagents for CVD of Beta Silicon Carbide.  

Science.gov (United States)

Beta silicon carbide is an excellent candidate semiconductor material for demanding applications in high power and high temperature electronic devices due to its high breakdown voltage, relatively large band gap, high thermal conductivity and high melting...

1991-01-01

284

Reduction of IgG in nonhuman primates by a peptide antagonist of the neonatal Fc receptor FcRn  

UK PubMed Central (United Kingdom)

The neonatal Fc receptor FcRn provides IgG molecules with their characteristically long half-lives in vivo by protecting them from intracellular catabolism and then returning them to...Full Text Available

2008-02-19

285

Recent progress towards development of effective systemic chemotherapy for the treatment of malignant brain tumors  

UK PubMed Central (United Kingdom)

Systemic chemotherapy has been relatively ineffective in the treatment of malignant brain tumors even though systemic chemotherapy drugs are small molecules that can readily extravasate across the porous...Full Text Available

286

Rational design of DNA sequences for nanotechnology, microarrays and molecular computers using Eulerian graphs  

UK PubMed Central (United Kingdom)

Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available

2004-01-01

287

Rate of allosteric change in hemoglobin measured by modulated excitation using fluorescence detection.  

UK PubMed Central (United Kingdom)

We have measured the forward and reverse rates of the allosteric transition of hemoglobin A with three CO molecules bound by using modulated excitation coupled with fluorescence quenching of the DPG...Full Text Available

1989-10-01

288

Pseudomonas aeruginosa-Candida albicans Interactions: Localization and Fungal Toxicity of a Phenazine Derivative?  

UK PubMed Central (United Kingdom)

Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available

2009-01-01

289

Pretreatment with the gram-positive bacterial cell wall molecule peptidoglycan improves bacterial clearance and decreases inflammation and mortality in mice challenged with Pseudomonas aeruginosa  

UK PubMed Central (United Kingdom)

The objective of this study was to determine if inflammatory tolerance and enhancement of innate immune function could be induced by the gram-positive cell wall component peptidoglycan (PGN)....Full Text Available

2008-10-01

290

Parallel Arrays of Geometric Nanowells for Assembling Curtains of DNA with Controlled Lateral Dispersion  

UK PubMed Central (United Kingdom)

The analysis of individual molecules is evolving into an important tool for biological research, and presents conceptually new ways of approaching experimental design strategies. However, more...Full Text Available

2008-10-07

291

On the spontaneous stochastic dynamics of a single gene: complexity of the molecular interplay at the promoter  

UK PubMed Central (United Kingdom)

BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available

292

Normal human B lymphocytes and mononuclear cells respond to the mitogenic and cytokine-stimulatory activities of Borrelia burgdorferi and its lipoprotein OspA.  

UK PubMed Central (United Kingdom)

Borrelia burgdorferi produces potent cell-activating molecules capable of stimulating polyclonal proliferation and immunoglobulin production by murine B lymphocytes and cytokine production by a variety...Full Text Available

1994-02-01

293

Myosin Motors Drive Long Range Alignment of Actin Filaments*  

UK PubMed Central (United Kingdom)

The bulk alignment of actin filament sliding movement, powered by randomly oriented myosin molecules, has been observed and studied using an in vitro motility assay. The well established,...Full Text Available

2010-02-12

294

Myofibrillogenesis in the developing zebrafish heart: A functional study of tnnt2  

UK PubMed Central (United Kingdom)

Various hypotheses have been proposed to explain the molecule processes of sarcomere assembly, partially due to the lack of systematic genetic studies of sarcomeric genes in an in vivo...Full Text Available

2009-07-15

295

Mutant ?-Synuclein Overexpression Mediates Early Proinflammatory Activity  

UK PubMed Central (United Kingdom)

Microglia provide immune surveillance for the brain through both the removal of cellular debris and protection against infection by microorganisms and “foreign” molecules. Upon...Full Text Available

2009-10-01

296

Molecular conformation, receptor binding, and hormone action of natural and synthetic estrogens and antiestrogens.  

UK PubMed Central (United Kingdom)

The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available

1985-09-01

297

Loss of Function of E-Cadherin in Embryonic Stem Cells and the Relevance to Models of Tumorigenesis  

UK PubMed Central (United Kingdom)

E-cadherin is the primary cell adhesion molecule within the epithelium, and loss of this protein is associated with a more aggressive tumour phenotype and poorer patient prognosis in many cancers. Loss...Full Text Available

2011-01-01

298

Laser-Assisted Single-Molecule Refolding (LASR)  

UK PubMed Central (United Kingdom)

To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available

2010-09-22

299

Introduction of the CIITA gene into tumor cells produces exosomes with enhanced anti-tumor effects  

UK PubMed Central (United Kingdom)

Exosomes are small membrane vesicles secreted from various types of cells. Tumor-derived exosomes contain MHC class I molecules and tumor-specific antigens, receiving attention as a potential cancer...Full Text Available

2011-05-31

300

Inhibitors of RecA Activity Discovered by High-Throughput Screening: Cell-Permeable Small Molecules Attenuate the SOS Response in Escherichia coli  

UK PubMed Central (United Kingdom)

The phenomenon of antibiotic resistance has created a need for the development of novel antibiotic classes with non-classical cellular targets. Unfortunately, target-based drug discovery against...Full Text Available

2009-10-01

301

Inhibition of Osteoclastogenesis by Mechanically Loaded Osteocytes: Involvement of MEPE  

UK PubMed Central (United Kingdom)

In regions of high bone loading, the mechanoresponsive osteocytes inhibit osteoclastic bone resorption by producing signaling molecules. One possible candidate is matrix extracellular phosphoglycoprotein...Full Text Available

2010-11-01

302

Influence of excited molecules on electron swarm transport coefficients and gas discharge kinetics  

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm ...

1997-09-01

303

In vitro selection of RNA molecules that displace cocaine from the membrane-bound nicotinic acetylcholine receptor  

UK PubMed Central (United Kingdom)

The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available

1998-11-24

304

In vitro dimerization of human immunodeficiency virus type 1 (HIV-1) spliced RNAs  

UK PubMed Central (United Kingdom)

The human immunodeficiency virus type 1 (HIV-1) packages its genomic RNA as a dimer of homologous RNA molecules that has to be selected among a multitude of cellular and viral RNAs. Interestingly, spliced...Full Text Available

2007-12-01

305

Identification and characterization of plasmids from the western aster yellows mycoplasmalike organism.  

UK PubMed Central (United Kingdom)

Supercoiled double-stranded DNA molecules (plasmids) were isolated from plants infected with three laboratory strains of western aster yellows mycoplasma-like organism (AY-MLO) by using cesium chloride-ethidium...Full Text Available

1990-03-01

306

High-Sensitivity Analysis of Naturally Occurring Sugar Chains, Using a Novel Fluorescent Linker Molecule  

UK PubMed Central (United Kingdom)

To analyse the binding of sugar chains to proteins, viruses and cells, the surface plasmon resonance (SPR) technique is very convenient and effective because it is a real-time, non-destructive detection...Full Text Available

2009-07-01

307

Gene-enzyme telationships in somatic cells and their organismal derivatives in higher plants. Progress report  

Energy Technology Data Exchange (ETDEWEB)

Progress is reported in the following subject areas: (1) chemistry of the arogenate molecule; (2) plant enzymology at the organismal level; (3) isolation of regulatory mutants in tobacco; and (4) stability of the haploid state in Nicotiana sylvestris.

1980-04-21

308

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O_2 molecule  

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...

309

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

UK PubMed Central (United Kingdom)

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

310

Expression of CD1d in human scalp skin and hair follicles: hair cycle related alterations  

UK PubMed Central (United Kingdom)

Background: CD1d belongs to a family of antigen presenting molecules that are structurally and distantly related to the classic major histocompatibility complex class I (MHC I)...Full Text Available

2005-12-01

311

Explosives detection The problem and prospects  

Energy Technology Data Exchange (ETDEWEB)

Explosives molecules have a number of unique properties. These properties are discussed. They include low vapor pressures, electronegativity, ''stickiness,'' frangibility, and thermal instability. The program for developing an advanced explosives detector is described.

1984-07-01

312

Enantioselective Fluorescent Recognition of Chiral Acids by Cyclohexane-1,2-diamine-Based Bisbinaphthyl Molecules  

UK PubMed Central (United Kingdom)

The cyclohexane-1,2-diamine-based bisbinaphthyl macrocycles (S)-/(R)-5 and their cyclic and acyclic analogs are synthesized. The interactions of...Full Text Available

2007-06-22

313

Development of small-molecule inhibitors of the group I p21-activated kinases, emerging therapeutic targets in cancer  

UK PubMed Central (United Kingdom)

The p21-activated kinases (PAKs), immediate downstream effectors of the small G-proteins of the Rac/cdc42 family, are critical mediators of signaling pathways regulating cellular behaviors and...Full Text Available

2010-09-01

314

Consequences of unlocking the cardiac myosin molecule in human myocarditis and cardiomyopathies  

UK PubMed Central (United Kingdom)

Myocarditis, often initiated by viral infection, may progress to autoimmune inflammatory heart disease, dilated cardiomyopathy and heart failure. Although cardiac myosin is a dominant autoantigen...Full Text Available

2008-09-01

315

Chemical complementation: A reaction-independent genetic assay for enzyme catalysis  

UK PubMed Central (United Kingdom)

A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available

2002-12-24

316

Both common and specialty mushrooms inhibit adhesion molecule expression and in vitro binding of monocytes to human aortic endothelial cells in a pro-inflammatory environment  

UK PubMed Central (United Kingdom)

BackgroundCardiovascular disease (CVD) is a leading cause of mortality in the United States as well as globally. Epidemiological studies show that regular fruit and vegetable consumption...Full Text Available

317

Blood Group A Antigen Is a Coreceptor in Plasmodium falciparum Rosetting  

UK PubMed Central (United Kingdom)

The malaria parasite Plasmodium falciparum utilizes molecules present on the surface of uninfected red blood cells (RBC) for rosette formation, and a dependency on ABO antigens has...Full Text Available

2000-05-01

318

Balance Between Pro- and Anti-Inflammatory Cytokines in Mice Treated With Centruroides noxius Scorpion Venom  

UK PubMed Central (United Kingdom)

CSV consists of a very complex of molecules and demonstrates significant cellular activities capable of stimulating immune functions in vivo. The purpose of this study was to analyze the effects of...Full Text Available

2006-01-01

319

Antiviral Inhibition of Enveloped Virus Release by Tetherin/BST-2: Action and Counteraction  

UK PubMed Central (United Kingdom)

Tetherin (BST2/CD317) has been recently recognized as a potent interferon-induced antiviral molecule that inhibits the release of diverse mammalian enveloped virus particles from infected cells. By...Full Text Available

320

Antisense imaging of gene expression in the brain in vivo  

UK PubMed Central (United Kingdom)

Antisense radiopharmaceuticals could be used to image gene expression in the brain in vivo, should these polar molecules be made transportable through the blood–brain barrier....Full Text Available

2000-12-19

321

Antioxidant Defenses Predict Long-Term Survival in a Passerine Bird  

UK PubMed Central (United Kingdom)

BackgroundNormal and pathological processes entail the production of oxidative substances that can damage biological molecules and harm physiological functions. Organisms have evolved...Full Text Available

322

Antagonist HIV-1 Gag Peptides Induce Structural Changes in HLA B8  

UK PubMed Central (United Kingdom)

In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available

1996-12-01

323

Anchoring of a Single Molecular Rotor and Its Array on Metal Surfaces using Molecular Design and Self-Assembly  

UK PubMed Central (United Kingdom)

Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available

324

Accelerated interleaflet transport of phosphatidylcholine molecules in membranes under deformation.  

UK PubMed Central (United Kingdom)

Biological membranes are lamellar structures composed of two leaflets capable of supporting different mechanical stresses. Stress differences between leaflets were generated during micromechanical experiments...Full Text Available

1996-09-01

325

A Hybrid Capillary-Microfluidic Device for the Separation, Lysis, and Electrochemical Detection of Vesicles  

UK PubMed Central (United Kingdom)

The primary method for neuronal communication involves the extracellular release of small molecules that are packaged in secretory vesicles. We have developed a platform to separate, lyse, and...Full Text Available

2009-03-15

326

New coumarin-based sensor molecule for magnesium and calcium ions  

British Library Electronic Table of Contents (United Kingdom)

A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.

2009-01-01

327

Mira variables - Pulsation, mass loss and evolution  

International Nuclear Information System (INIS)

Recent developments in the analysis of Mira atmosphere, the determination of the pulsation mode, the problem of mass loss, and the evolution of the Mira variables are covered. Model atmospheres for Mira variables, including the opacities of the molecules expected in very late M-type atmospheres are discussed. The pulsation constant for Omicron Ceti is evaluated using T(eff) = 2900 + or - 200 K, and it is concluded that Miras are fundamental mode pulsators. The importance of molecular opacity to the driving of mass loss is evaluated, and it is pointed out that the radiation pressure on molecules is not a major factor in driving mass loss from Mira. Mass loss is considered as a factor in the calculations of the periods for Mira variables. 30 refs.

1990-05-28

328

Ionizing Radiation and Life  

British Library Electronic Table of Contents (United Kingdom)

Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...

2011-01-01

329

Ionization and fragmentation of DNA, RNA bases induced by proton impact  

Energy Technology Data Exchange (ETDEWEB)

We present recent results obtained in the Toulouse's group that deal with proton to base and nucleoside interactions. We stress the weakness of the sugar part in the nucleoside, i.e. the uridine molecule under scrutiny. Since some parts of the fragmentation spectrum correspond to the fragmentation of a 'pure' uracil molecule, i.e. the RNA base, an 'additivity rule' seems to prevail for the nucleoside, something that still has to be confirmed. Moreover, some results that deal with the secondary electronic emission from uracil are also displayed.

2008-02-01

330

Investigations of electronic transitions and photodissociation of the bromine molecule  

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

2008-12-01

331

Interrelation between the spatial structure of unsaturated hydrocarbon molecules and heats of their adsorption  

British Library Electronic Table of Contents (United Kingdom)

The total area (s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids (V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

2008-01-01

332

Interrelation between the spatial structure of unsaturated hydrocarbon molecules and heats of their adsorption  

Science.gov (United States)

The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

2008-08-01

333

Interference phenomena at the elastic collision of atoms with formation of the Feshbach resonance in the presence of laser radiation field  

British Library Electronic Table of Contents (United Kingdom)

Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.

2011-01-01

334

Azidothymidine: crystal structure and possible functional role of the azido group  

Energy Technology Data Exchange (ETDEWEB)

The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

1987-12-01

335

Application of Combined Hartree-Fock-Roothaan Theory to The Study of Electronic Structure of Molecules Using auxiliary Function Qqns and Gq-ns  

International Nuclear Information System (INIS)

The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.

2008-08-25

336

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

Science.gov (United States)

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

337

Benzene molecule is destroyed by ultraviolet and soft X-rays in circumstellar environment  

International Nuclear Information System (INIS)

Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...

338

X-ray absorption spectroscopy, EELS, and full-potential augmented plane wave study of the electronic structure of Ti_2AlC, Ti_2AlN, Nb_2AlC, and (Ti_0_._5Nb_0_._5)_2AlC  

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid solution scattering observed in this H ...

2005-01-01

339

Viscoplasticity of elastomeric materials: experimental facts and constitutive modelling  

Energy Technology Data Exchange (ETDEWEB)

A characteristic of filled elastomers is their ability to undergo very large deformations without damaging their internal structure. The material behaviour is mainly elastic, however, elastomers show hysteresis effects leading to damping properties, which are quite important as regards their applications in various fields of mechanical engineering.A series of experiments (tension, torsion and combinations of both) was carried out on cylindrical bars made of a carbon-black filled rubber mixture. In addition to a pronounced nonlinear rate-dependence, relaxation and viscosity properties are observed as being influenced by the process histories.The behaviour of elastomeric materials is modelled on the basis of a free energy function and evolution equations for additional internal variables. Incorporating or disregarding the very small rate-independent hysteresis, the constitutive modelling may be classified under viscoplasticity or viscoelasticity. The constitutive ...

2001-03-01

340

Ultrafast carrier dynamics of InGaAsN and InGaAs single quantum wells  

International Nuclear Information System (INIS)

Striking differences in differential reflectance and carrier relaxation in In0.4Ga0.6As and In0.4Ga0.6As0.98N0.02 single quantum wells (SQWs) were studied using ultrafast time-resolved photoreflectance. Even with extremely thin SQW of only 60 A within 3000 A wide GaAs confining layers, negative and positive differential reflectance was observed for the excitation photon energy far above the bandgaps at 820 and 880 nm for both samples. Due to absorption by the GaAs confining layer, the peak differential reflectance pumped at 820 nm is an order of magnitude larger than that pumped at 880 nm; and it is larger for InGaAs SQWs than for InGaAsN SQWs. The shorter carrier lifetimes of these samples result from carrier-carrier scattering as pumped at both wavelengths. The longer carrier lifetime as pumped at 880 nm is due to hot phonon decay in InGaAs but may be due to stimulated emission in InGaAsN. The results reveal that the carrier dynamics is strongly affected by N ...

2008-04-21

341

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

Energy Technology Data Exchange (ETDEWEB)

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 group rotation in the proton NMR relaxation behavior of coals.

1992-11-25

342

Time-resolved resonance and linewidth of an ultrafast switched GaAs/AlAs microcavity  

CERN Document Server

We explore a planar GaAs/AlAs photonic microcavity using pump-probe spectroscopy. Free carriers are excited in the GaAs with short pump pulses. The time-resolved reflectivity is spectrally resolved short probe pulses. We show experimentally that the cavity resonance and its width depend on the dynamic refractive index of both the lambda-slab and the lambda/4 GaAs mirrors. We clearly observe a double exponential relaxation of both the the cavity resonance and its width, which is due to the different recombination timescales in the lambda-slab and the mirrors. In particular, the relaxation time due to the GaAs mirrors approaches the photon storage time of the cavity, a regime for which nonlinear effects have been predicted. The strongly non-single exponential behavior of the resonance and the width is in excellent agreement to a transfer-matrix model taking into account two recombination times. The change in width leads to a change in ...

2009-01-01

343

The effect of swimming exercise on spontaneous ventricular defibrillation and ventricular fibrillation threshold in the isolated perfused rat heart.  

Science.gov (United States)

Effects of swimming exercise training on left ventricular contraction and relaxation, the incidence of spontaneous defibrillation and the ventricular fibrillation threshold were studied in the isolated, perfused rat heart. The heart/body weight ratio was 4.8 +/- 0.4 x 10(-3) in swimmers compared with 3.9 +/- 0.6 x 10(-3) in sedentary controls (p less than 0.0005). The spontaneous heart rate was lower in isolated hearts of trained animals (222 +/- 18 bpm compared with 244 +/- 28, p less than 0.05). Left ventricular systolic pressure was higher in trained hearts and the rate of ventricular relaxation enhanced (p less than 0.05). The ventricular fibrillation threshold was 7.2 +/- 5.2 and 10.8 +/- 6.1 mamp in hearts of swimmers and controls, respectively, the difference not being significant. The incidence of spontaneous defibrillation was not significantly different between the two groups. It is concluded that, while swimming induces cardiac ...

1990-12-01

344

Strain dependence of Si-Ge interdiffusion in epitaxial Si/Si{sub 1-y}Ge{sub y}/Si heterostructures on relaxed Si{sub 1-x}Ge{sub x} substrates  

Science.gov (United States)

The strain dependence of Si-Ge interdiffusion in epitaxial Si/Si{sub 1-y}Ge{sub y}/Si heterostructures on relaxed Si{sub 1-x}Ge{sub x} substrates has been studied using secondary ion mass spectrometry, Raman spectroscopy, and simulations. At 800 and 880 deg. C, significantly enhanced Si-Ge interdiffusion is observed in Si/Si{sub 1-y}Ge{sub y}/Si heterostructures (y=0.56, 0.45, and 0.3) with Si{sub 1-y}Ge{sub y} layers under compressive strain of -1%, compared to those under no strain. In contrast, tensile strain of 1% in Si{sub 0.70}Ge{sub 0.30} layer has no observable effect on interdiffusion in Si/Si{sub 0.70}Ge{sub 0.30}/Si heterostructures. These results are relevant to the device and process design of high mobility dual channel and heterostructure-on-insulator metal oxide semiconductor field effect transistors.

2006-01-02

345

Spin-lattice relaxation in A-15 type intermetallic compounds  

Energy Technology Data Exchange (ETDEWEB)

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

346

Spin-lattice relaxation in A-15 type intermetallic compounds  

International Nuclear Information System (INIS)

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.

347

Self-Interacting Dark Matter Halos and the Gravothermal Catastrophe  

CERN Document Server

We study the evolution of an isolated, spherical halo of self-interacting dark matter (SIDM) in the gravothermal fluid formalism. We show that the thermal relaxation time, $t_r$, of a SIDM halo with a central density and velocity dispersion of a typical dwarf galaxy is significantly shorter than its age. We find a self-similar solution for the evolution of a SIDM halo in the limit where the mean free path between collisions, $\\lambda$, is everywhere longer than the gravitational scale height, $H$. Typical halos formed in this long mean free path regime relax to a quasistationary gravothermal density profile characterized by a nearly homogeneous core and a power-law halo where $\\rho \\propto r^{-2.19}$. We solve the more general time-dependent problem and show that the contracting core evolves to sufficiently high density that $\\lambda$ inevitably becomes smaller than $H$ in the innermost region. The core undergoes secular collapse to a ...

2002-01-01

348

Proton spin lattice relaxation studies in lithium ammonium sulfate LiNH_4SO_4  

International Nuclear Information System (INIS)

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

349

On the orbital evolution and growth of protoplanets embedded in a gaseous disc  

CERN Document Server

We present a new computation of the linear tidal interaction of a protoplanetary core with a thin gaseous disc in which it is fully embedded. For the first time a discussion of the orbital evolution of cores with eccentricity (e) significantly larger than the gas-disc scale height to radius ratio (H/r) is given. We find that the direction of orbital migration reverses for e>1.1H/r. This occurs as a result of the orbital crossing of resonances in the disc that do not overlap the orbit when the eccentricity is very small. Simple expressions giving approximate fits to the eccentricity damping rate and the orbital migration rate are presented. We go on to calculate the rate of increase of the mean eccentricity for a system of protoplanetary cores due to dynamical relaxation. By equating the eccentricity damping time-scale with the dynamical relaxation time-scale we deduce that an equilibrium between eccentricity damping and excitation through ...

1999-01-01

350

Moderately heavy, heavy-fermion compound YbPd_2Si_2 at low temperatures  

International Nuclear Information System (INIS)

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 ...

351

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

Energy Technology Data Exchange (ETDEWEB)

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

352

Magnetism in "3He  

International Nuclear Information System (INIS)

The nuclear magnetic susceptibility, #chi#, of "3He is seen to nearly obey a pure Curie Law, #chi# = C/T, over the temperature range 0.5 mK < T < 2 K when contained in the 20#ALPHA#, multiply connected pores of Vycor glass at low external pressure. Raising the external pressure to 5 bar (1 bar 100 kPa) causes the susceptibility to obey the Curie-Weiss law, #chi# = C' /T - #THETA# whose #THETA# = 0.3 mK. The longitudinal relaxation time, T_1, varies monotonically with T between 17 and 90 ms at both pressures. At 5 bar, the transverse relaxation time T_2*, is nearly temperature independent (about 600 #mu#s) above 2 mK. Below 2 mK, T_2* drops precipitously. Preliminary measurements indicate that the magnetism is produced by atoms that can flow through the pores of the Vycor glass. (10 refs., fig.).

1986-10-01

353

MR imaging of experimental intramuscular hemorrhage at 0. 02 T; Contrast enhancement with Gd-DOTA  

Energy Technology Data Exchange (ETDEWEB)

Intramuscular hermorrhage was induced by injecting autologous blood into the paraspinal muscle of 8 rabbits. In order to evaluate the time-dependent changes of hemorrhage observed on MRI, the animals were imaged at different stages of blood resolution at 0.02 tesla (T), and control examined with ultrasound using a 7.5 MHz linear transducer. Six inversion recovery sequences (TR=1 000 ms. TE=30 ms, and TI=18, 48, 148, 201, 302, and 398 ms) were used for the invivo calculation of T1 relaxation times. IR 1 000 (398)/30 imaging was performed before and after the Gd-DOTA administration. The hemorrhage was evident on MR images throughout the study, especially on the T2 weighted (SE 1 000/100) images. MRI showed the healing lesion longer than ultrasound. The T1 relaxation time increased during the time of resolution. Lesions on days 4 to 7 enhanced in intensity after the injection of Gd-DOTA. (orig.).

1990-09-01

354

Kinetics of the stress induced phase transition in quartz by real-time neutron scattering  

International Nuclear Information System (INIS)

Complete text of publication follows. The stability regime of the incommensurate phase of quartz is influenced by uniaxial stress. Hence, the phase transition can be induced under isothermal conditions by the application of external mechanical forces. Using real-time neutron scattering the time evolution of structural changes is investigated id detail during stress variations. The time dependent behaviour of the satellite reflection is compared with that one of the fundamental Bragg reflection which - via primary extinction - gives information about the perfection of the crystal. On increasing stress the perfection of the lattice is destroyed immediately while the modulated structure is built up with a delay of about 1 s. Decreasing the stress leads to a reverse behaviour. Moreover, there is evidence that under periodical load residual non-relaxed strain fields survive leading to a different temperature dependence as compared to static conditions. This finding is ...

1999-09-01

355

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

CERN Document Server

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 a small effect on the alignment of the AF ...

2001-01-01

356

Gas electrode reactions in molten carbonate media. Pt. 2. Oxygen reduction kinetics on conductive oxide electrodes in (Li+K)CO/sub 3/ eutectic at 650/sup 0/C  

Energy Technology Data Exchange (ETDEWEB)

The electrode kinetics for oxygen reduction on conducting metal oxides, including lithiated NiO (formed in situ) and Sb-doped SnO/sub 2/, have been investigated. Kinetic measurements were carried out by using ac impedance and coulostatic relaxation methods. The ac behavior on the oxide electrodes was analyzed on the basis of a modified Randles-Ershler type equivalent circuit which takes into account the effect of non-faradaic components due to the semiconducting oxide films. The kinetic parameters (the charge transfer resistance and Warburg coefficient) and the interfacial parameters (the double layer capacity, film capacity and film resistance) were obtained by a least squares curve fitting method under P/sub O2//P/sub CO2/=0.9/0.1 atmosphere. The exchange current density was found to be 10 to 20 mA cm/sup -2/ at the oxide electrodes, assuming n=2. The coulostatic relaxation experiments supported the magnitude of the i/sub o/ values.

1986-01-01

357

First-principles calculations of the stability and local structure of #alpha#-sialon ceramics on the line Si_3N_4- 1/2 Ca_3N_2:3AlN  

International Nuclear Information System (INIS)

The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.

2004-04-28

358

Electronic structure and proton spin-lattice relaxation in PdH  

International Nuclear Information System (INIS)

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 ...

359

Effects of the insertion of a thick sp"2 buffer layer on the adhesion of cBN-rich film  

International Nuclear Information System (INIS)

A method was proposed and examined to deposit thick cubic boron nitride (cBN)-rich layer of good adhesion to silicon substrate. The method combined (i) the insertion of a thick sp"2 buffer layer, and (ii) the use of an appropriate assist ion beam energy for the growth of the cBN-rich top layer. The sp"2-bonded boron nitride buffer layer was deposited under irradiation of ions with energies in the range of 200-360 eV. The buffer layer was found to contain curled graphitic basal planes, and so was supposed to be relatively deformable, and facilitate the relaxation of stresses in the cBN-rich top layer. The ion assist introduced during the growth of the cBN-rich layer was supposed to both create and annihilate defects, and so resulted in the generation and relaxation of internal stresses. Results showed that the insertion of a 492 nm sp"2 buffer layer, and the use of a beam energy of 450 eV for assisting the growth of the top layer can produce a ...

2004-05-01

360

Effects of chronic treatment with honokiol in spontaneously hypertensive rats.  

Science.gov (United States)

The present study was performed to evaluate the antihypertensive effects of honokiol in vivo in spontaneously hypertensive rats (SHR). The effects of honokiol were investigated by determination of the blood pressure, vascular reactivity, oxidative parameters, and histologic change in the aorta. Long-term administration of honokiol (400 mg/kg/d) to SHR decreased systolic blood pressure significantly. Honokiol (200, 400 mg/kg/d) enhanced the aortic relaxation in response to acetylcholine after 49-d treatment, but had no significant effects on the relaxation to sodium nitroprusside. The oral administration of honokiol significantly increased the plasma level of NO(2(-))/NO(3(-)), but decreased the level of malondialdehyde in liver of SHR compared with the control vehicle. In addition, SHR administered honokiol showed significant reductions in the elastin bands and media thickness in the aorta. These results suggest that chronic treatment with ...

2010-01-01

361

Diffusion-accomodated rigid-body translations along grain boundaries in nanostructured materials  

Energy Technology Data Exchange (ETDEWEB)

A model for the structural relaxation of grain boundaries (GBs) in nanostructured materials (NSMs) by diffusion-accommodated rigid body translations along GBs is proposed. The model is based on the results of recent computer simulations that have demonstrated that the GBs in NSMs retain a high-energy structure with random translational states due to severe geometrical constraints applied from neighboring grains (J. Appl. Phys. 78 (1995) 847; Scripta Metall. Mater. 33 (1995) 1245). The shear stresses within a GB caused by non-optimized rigid-body translations (RBTs) can be accommodated by diffusive flow of atoms along a GB. This mechanism is particularly important for low-angle and vicinal GBs, the energy of which noticeably depends on the rigid body translations. At moderate and high temperatures the model yields relaxation times that are very short and therefore GBs in NSMs can attain an equilibrium structure with optimized rigid body ...

2003-10-25

362

Benzyl carbamyl analogue of lignocaine: vasodepressor mechanism of action.  

Science.gov (United States)

1. The benzyl carbamyl analogue of lignocaine [2-(diethylaminoacetamido)-3-carbamyl-4-methyl-5-benzylpyrrole] at an intravenous dose of 4 mg/kg caused a blood pressure decrease of 54 mmHg. 2. A greater hypotensive effect was observed in hypertensive compared to normotensive animals. Anaesthesia magnified the vasodepressor effect in both groups. 3. The analogue did not possess centrally-mediated effects on blood pressure but exerted its hypotensive effect via a peripheral mechanism. 4. The analogue produced a relaxant effect on intestinal and vascular smooth muscle while exerting minimal effects on muscarinic, sympathetic, or ganglionic nicotinic receptors. 5. The analogue exhibited less cardiac depressant action on left ventricular rate (dp/dt) and force of contraction than lignocaine. 6. Lethal effects for the analogue were first observed at 16 mg/kg following intravenous administration and at 500 mg/kg following intraperitoneal administration. 7. In conclusion, ...

363

A critical review of behavioural treatments for chronic benign pain other than headache.  

Science.gov (United States)

Studies of the effectiveness of operant, relaxation, cognitive, and multimodal behavioural approaches to the treatment of chronic benign pain other than headache were evaluated. In general, the quality of the studies was poor, and most investigations lacked appropriate and adequate control conditions, outcome measures, and/or follow-ups. While outcome reports for all four behavioural treatments have been mainly positive, few data were found which conclusively demonstrate that any of the approaches are effective or that they are the treatment of choice. The data do, however, imply that behavioural approaches may help patients lead more normal and productive lives. Specifically, the literature suggests that: (1) the operant method leads to increased activity levels and decreased pain and drug intake, (2) the relaxation approach results in decreased EMG levels and some pain reductions, (3) the cognitive techniques are speculative at this time, and ...

1982-11-01

364

Investigation of dominant loss mechanisms in low-temperature polymer electrolyte membrane fuel cells  

Energy Technology Data Exchange (ETDEWEB)

This thesis deals with the analysis of dominant loss mechanisms in direct methanol fuel cells (DMFC) and hydrogen fed polymer electrolyte membrane fuel cells (PEFC) by means of experimental characterization and modeling work. Due to different fuels used in these two fuel cell types, the dominant loss mechanisms are different in their nature. All in-situ characterization techniques that are used in this work are based on a novel test fuel cell with embedded reference electrodes. The first part of this work presents a new concept for realizing a reference electrode configuration in a polymer electrolyte membrane fuel cell by means of laser ablation. The laser beam is used to evaporate a small gap into the electrode surface of a catalyst coated membrane (CCM) to isolate the reference electrode from the working/counter electrode (WE/CE). This method enables the simultaneous ablation of the electrodes on both sides of the CCM because the membrane is transparent for the laser beam. ...

2010-07-01

365

Water resources data for Minnesota, water year 1993. Volume 2. Upper Mississippi and Missouri River basins. Water-data report (Annual), 1 October 1992-30 September 1993  

Energy Technology Data Exchange (ETDEWEB)

Water-resources data for the 1993 water year for Minnesota consists of records of stage, discharge and water quality of streams; stage, contents, and water quality of lakes and reservoirs; and water levels and water quality in wells and springs. This volume contains discharge records for 58 gaging stations; stage and contents for 9 lakes and reservoirs; water quality 15 stream stations, 1 lakes station, 1 precipitation station, and water levels for 15 observation wells. Also included are 61 high-flow partial-record stations. Additional water data were collected at various sites, not part of the systematic data collection program and are pulished as miscellaneous measurements.

1994-07-01

366

Water resources data for Minnesota, water year 1991. Volume 2. Upper Mississippi and Missouri River Basins. Water-data report (Annual), 1 October 1990-30 September 1991  

Energy Technology Data Exchange (ETDEWEB)

Water-resources data for the 1991 water year for Minnesota consist of records of stage, discharge and water quality of streams; stage, contents, and water quality of lakes and reservoirs; and water levels and water quality in wells and springs. The volume contains discharge records for 60 gaging stations; stage and contents for 9 lakes and reservoirs; water quality for 18 stream stations, 1 lake station, 22 partial-record sites, 1 precipitation station, 108 wells; and water levels for 119 observation wells. Also included are 59 high-flow partial-record stations. Additional water data were collected at various sites, not part of the systematic data collection program and are published as miscellaneous measurements or low-flow investigations.

1992-09-01

367

National Water Plan draft  

International Nuclear Information System (INIS)

In the National Water Plan it is described which measures must be taken to keep the Netherlands safe and livable for future generations and to make use of the chances offered by water.

368

CDC Data & Statistics | Feature: Drowning Risks in Natural Water...  

Science.gov (United States)

swimmers in or around the water. Designate a responsible adult who can swim and knows CPR to watch swimmers in or around water. The supervisor should not be involved in any...

2011-09-24

369

Trapping of neutral atoms with resonant microwave radiation  

Energy Technology Data Exchange (ETDEWEB)

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

370

The elastic plastic behaviour of a 1/2% Cr Mo V steam turbine steel during high strain thermal fatigue  

International Nuclear Information System (INIS)

High strain fatigue problem in steam turbine. Cyclic stress strain hysteresis loops and stress relaxation behaviour in 16 h dwell period tests. Variation of stress and strain during tests under nominally strain controlled conditions. Definition of test conditions and of criteria for crack initiation and failure. Comparison of reverse bend and push pull failure data. (orig.) 891 RW/orig. 892 RKD.

371

The 2s{sup 1}2p{sup 4} autodetachment resonance in the C{sup -} negative ion  

Energy Technology Data Exchange (ETDEWEB)

The calculations of the photodetachment cross section for the C{sup -} negative ion has been performed within the newly-developed many-body theory method, the RPAE interchannel interaction and dynamic relaxation and polarization corrections being included. The 2s{sup 1}2p{sup 4} shape resonance is shifted to a higher photon energy and broadens as compared to the resonance parameters determined earlier within the RPAE, which is consistent with the experimental evidence and the recent R-matrix calculations. (orig.) 18 refs.

1998-08-10

372

Randomization of heavily damaged regions in annealed low energy Ge{sup +}-implanted (0 0 1)Si  

Energy Technology Data Exchange (ETDEWEB)

Apparent growth of amorphous layers during low temperature annealing was observed in low energy Ge{sup +}-implanted (0 0 1)Si by high-resolution transmission electron microscopy. The occurrence of abnormal growth is due to the randomization of heavily damaged regions beneath the original amorphous/crystalline interfaces. The randomization process is attributed to the strain, incurred by the presence of a high density of large Ge atoms in the heavily damaged Si substrate, relaxation to lower the free energy of the systems. The randomization upon annealing may be fruitfully applied to minimize the transient enhanced diffusion in shallow junction formation.

2004-01-15

373

Randomization of heavily damaged regions in annealed low energy Ge"+-implanted (0 0 1)Si  

International Nuclear Information System (INIS)

Apparent growth of amorphous layers during low temperature annealing was observed in low energy Ge"+-implanted (0 0 1)Si by high-resolution transmission electron microscopy. The occurrence of abnormal growth is due to the randomization of heavily damaged regions beneath the original amorphous/crystalline interfaces. The randomization process is attributed to the strain, incurred by the presence of a high density of large Ge atoms in the heavily damaged Si substrate, relaxation to lower the free energy of the systems. The randomization upon annealing may be fruitfully applied to minimize the transient enhanced diffusion in shallow junction formation.

2004-01-01

374

Photoluminescence and cathodoluminescence properties of Tb3+ activated Sr3AlO4F emitting-color tunable phosphor  

British Library Electronic Table of Contents (United Kingdom)

Tb3+-activated Sr3AlO4F phosphors were synthesized by a high-temperature solid-state reaction method. The investigation of photoluminescence and cathodoluminescence indicates that these phosphors can be effectively excited by ultraviolet light and low-voltage electron beam. The phosphors exhibit a tunable-green emission. The luminescence behaviors are explained by the site occupancy of Tb3+ ions in the host crystal and the cross-relaxation of 5D3 to 5D4 state.

2011-01-01

375

Photoluminescence and cathodoluminescence properties of Tb3+ activated Sr3AlO4F emitting-color tunable phosphor  

Science.gov (United States)

Tb3+-activated Sr3AlO4F phosphors were synthesized by a high-temperature solid-state reaction method. The investigation of photoluminescence and cathodoluminescence indicates that these phosphors can be effectively excited by ultraviolet light and low-voltage electron beam. The phosphors exhibit a tunable-green emission. The luminescence behaviors are explained by the site occupancy of Tb3+ ions in the host crystal and the cross-relaxation of 5D3 to 5D4 state.

2011-03-01

376

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

International Nuclear Information System (INIS)

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

377

Negative charges in liquid hydrogen and deuterium  

Energy Technology Data Exchange (ETDEWEB)

The temperature and pressure dependence of the mobilities of negative charges injected into liquid hydrogen and deuterium have been measured. The authors propose the existence of two types of charge carriers in liquid parahydrogen. One is a bubble with an electron inside while the other has higher mobility. Relaxation of the current through liquid hydrogen was observed. It is suggested that in liquid and solid hydrogen under {beta}-irradiation neutral complexes are created which can trap the negative charges and have a lifetime of about 10 hours. 6 refs., 5 figs.

1992-11-01

378

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

International Nuclear Information System (INIS)

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

379

Inner-shell excitation of intrinsic luminescence and resonantly excited X-ray fluorescence at Be 1s edge in oriented BeO crystals  

International Nuclear Information System (INIS)

The results of studies of the time-resolved luminescence of self-trapped excitons (STE) with different multiplicity as well as the X-ray emission in oriented BeO crystals under excitation in the vicinity of the 1 s Be photoabsorption edge are presented. The branching of the electronic excitations relaxation depends strongly on the crystal orientation after the inner-shell excitation. The common features between the processes of the STE luminescence and resonantly excited X-ray fluorescence have been discussed.

2007-05-21

380

Implantation of single-impurity Fe and its magnetic coupling in Er studied by TDPAD  

Energy Technology Data Exchange (ETDEWEB)

Single Fe impurities were implanted in an Er single crystal and found to occupy both substitutional and interstitial sites, below a temperature of 200 K. The local susceptibility of Fe on both sites follows a Curie-Weiss law and exhibits a positive local Curie constant, indicating an antiferromagnetic coupling between the Fe and the surrounding Er moments. The corresponding nuclear spin relaxation rates follow a Korringa law as a function of temperature, confirming the dominance of local magnetism and the formation of local moments on each of the sites occupied by Fe.

2004-05-01

381

Electromagnetic wiggler technology development at the Lawrence Livermore National Laboratory  

Energy Technology Data Exchange (ETDEWEB)

As a part of the program at the Lawrence Livermore National Laboratory (LLNL) in induction-linac free-electron laser (IFEL) research, the authors are conducting a variety of activities addressing the unique requirements imposed on IFEL wiggler systems. They are actively developing improved DC iron-core electromagnetic wiggler designs to attain higher peak fields, greater tunability, and lower random error levels. They are pursuing specialized control systems, such as magnetic-field and beam-position controllers, which can relax requirements on the wiggler itself. They are also pursuing basic studies to establish the effect of radiation on permanent magnets.

1988-03-01

382

Electromagnetic wiggler technology development at the Lawrence Livermore National Laboratory  

Energy Technology Data Exchange (ETDEWEB)

As a part of the program at the Lawrence Livermore National Laboratory (LLNL) in induction-linac free-electron laser (IFEL) research, we are conducting a variety of activities addressing the unique requirements imposed on IFEL wiggler systems. We are actively developing improved dc iron-core electromagnetic wiggler designs to attain higher peak fields, greater tunability, and lower random error levels. We are pursuing specialized control systems, such as magnetic-field and beam-position controllers, which can relax requirements on the wiggler itself. We are also pursuing basic studies to establish the effect of radiation on permanent magnets.

1987-01-01

383

ESR studies on reactivity of HO{sub 2} radicals in polycrystalline ice: non-monotonic changes of disproportionation rate in the temperature range 100-200 K  

Energy Technology Data Exchange (ETDEWEB)

The kinetics of HO{sub 2} radicals in UV-irradiated frozen dilute solutions of H{sub 2}O{sub 2} were followed by the ESR technique. Radical disproportionations at the irradiation temperature were found to be adequately described in terms of dispersive kinetics by a second-order equal-concentration kinetic equation with rate parameters changing non-monotonically in the temperature range 100-200 K. These changes are thought to occur due to well separated structural relaxation regions of polycrystalline ice in the above temperature range. (author).

1994-11-01

384

A correlation between electrochemical parameters and stress corrosion cracking of alloy 600 in high temperature caustic solution  

International Nuclear Information System (INIS)

The properties of the passive films formed on Alloy 600 at different applied potentials in 10% NaOH solution at 315 .deg. C was studied using in situ AC impedance and polarization measurements. The results were correlated with the stress corrosion cracking (SCC) behavior obtained from the C-ring tests in the same conditions. The change of the semiconductive property and the peak of relaxation time were observed at 0.2 V where the SCC rate showed a maximum. These results were also consistent with the prediction parameter for SCC obtained from fast and slow polarization scans.

2001-10-01

385

Properties of cubic boron nitride films with buffer layer control for stress relaxation using ion-beam-assisted deposition  

Energy Technology Data Exchange (ETDEWEB)

Significant ion irradiation during film growth is required for the formation of cubic boron nitride (cBN) films. Meanwhile, a huge level of intrinsic stress possibly induced by the ion bombardment has been frequently reported to result in cracking and/or lack of adhesion of deposited cBN films. The present work has been performed to investigate the interfacial and/or the buffer layer structures with better matching to the cBN film by relaxation of the film stress using ion-beam-assisted deposition (IBAD). Boron nitride films have been synthesized on Si(100) wafer and tungsten carbide (WC) substrates by depositing boron vapor under simultaneous bombardment with nitrogen ions and nitrogen-argon mixture ions in the energy range of 0.5-10 keV. Cubic BN films with enhanced tribological properties have been explored by inserting a BN layer with various B/N compositions as a controlled buffer at the interface. Significant relaxation of the film stress ...

1999-09-01

386

Origins of residual stress in Mo and Ta films: The role of impurities, microstructural evolution, and phase transformations  

Energy Technology Data Exchange (ETDEWEB)

Both the sign and magnitude of residual stress can vary with the thickness of sputter deposited films. The origins of this behavior are not well understood. In this work, the authors consider the correlation between the residual stress behavior and the depth dependence of impurities in thin (2.5 nm--150 nm) sputtered Mo and Ta films. They also consider the effects of phase transformations and microstructural changes on the stress behavior. Films were deposited onto Si substrates with native oxide. The residual stress observed in the Mo films varied from highly compressive at 2.5 nm film thickness to {approximately}0 at 10 nm thickness. Ta films also exhibited a high compressive stress, which relaxed from highly compressive to tensile between 10 nm and 50 nm film thickness. Impurities in the films may originate from the sputtering targets, the background gases, and the substrate surfaces. Auger Electron Spectroscopy (AES) results showed the presence of O and C ...

1997-05-01

387

Estimation of hydrogen bondings in coal utilizing FTir and differential scanning calorimetry (DSC); FTir to DSC wo mochiita sekitannai suiso ketsugo no teiryoteki hyoka no kokoromi  

Energy Technology Data Exchange (ETDEWEB)

With an objective to know coal condensation structure which has influence on coal conversion reaction, an attempt was made on quantitative evaluation of hydrogen bonding in coal. Using as test samples the VDC made from Taiheiyo coal swollen by tetralin and vacuum-dried, and its pyrolyzed char, DSC measurement and Fourier transform infrared spectroscopy (FT) were performed. An FT spectrum comparison revealed that the VDC swollen at 220{degree}C has the hydrogen bonding relaxed partly from the original coal. However, since the change is in a huge coal molecular structure restraining space, it has stopped at relaxation of the bonding energy without causing separation as far as free radicals. On the other hand, the DSC curve shows that the VDC has slower endothermic velocity than the original coal. In other words, the difference in heat absorption amounts in both materials is equivalent to the difference of enthalpy ({Delta} H) of both materials, ...

1996-10-28

388

Closure relations for the multi-species Euler system. Construction and study of relaxation schemes for the multi-species and multi-components Euler systems; Relations de fermeture pour le systeme des equations d'Euler multi-especes. Construction et etude de schemas de relaxation en multi-especes et en multi-constituants  

Energy Technology Data Exchange (ETDEWEB)

After having recalled the formal convergence of the semi-classical multi-species Boltzmann equations toward the multi-species Euler system (i.e. mixture of gases having the same velocity), we generalize to this system the closure relations proposed by B. Despres and by F. Lagoutiere for the multi-components Euler system (i.e. mixture of non miscible fluids having the same velocity). Then, we extend the energy relaxation schemes proposed by F. Coquel and by B. Perthame for the numerical resolution of the mono-species Euler system to the multi-species isothermal Euler system and to the multi-components isobar-isothermal Euler system. This allows to obtain a class of entropic schemes under a CFL criteria. In the multi-components case, this class of entropic schemes is perhaps a way for the treatment of interface problems and, then, for the treatment of the numerical mixture area by using a Lagrange + projection scheme. Nevertheless, we have to find a good projection ...

2001-07-01

389

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

Science.gov (United States)

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 ...

2011-05-16

390

Formation of organic thin film by hot wall vapor deposition. Hot wall jochakuho ni yoru yuki usumaku no keisei  

Energy Technology Data Exchange (ETDEWEB)

The process operation of the hot wall vapor deposition method, formation of dry organic thin film and the control of molecular arrangement were described. This equipment included a substrate on the upper end of the hot wall tube and the vapor source at the lower end. The remarkable features are the hot wall tube which plays the role to hold vaporizing molecules to the high temperature and to transport molecules, and the flip flop mechanism which gives some idle period for the molecular vaporization by shutter closing. Several experiments were carried out by using stearic acid and by changing the distance S from the upper end of hot wall quartz tube to the substrate, the furnace temperature T{sub f} and the substrate temperature T{sub s}. When T{sub f} is equal to or less than the melting point of stearic acid, molectles are preferentialy made to vertical arrangement. In the case of T{sub f} more than the melting point, the molecular rate of the ...

1991-12-01

391

Decay behaviors of H{sub 2}{sup -} anions in solid parahydrogen. Effect of nuclear spins on chemical reactions  

Energy Technology Data Exchange (ETDEWEB)

Decay processes of H{sub 2}{sup -} anions in {gamma}-rays-irradiated solid parahydrogen were studied by using ESR spectrometer. The following interesting results were obtained. First, the initial amount of ortho-H{sub 2}{sup -} anions in the {gamma}-irradiated solid parahydrogen was three times as large as those of para-H{sub 2}{sup -} anions. Second, the amount of para-H{sub 2}{sup -} anions decreases faster than that of ortho-H{sub 2}{sup -} anions upon storage of the irradiated samples at 4.2 K. Third, the decay rate of H{sub 2}{sup -} anions is accelerated by the addition of D{sub 2} molecules. Forth, H{sub 2}{sup -} anions at 2.2 K decay faster than at 4.2 K. According to the parity conservation rule in a homonuclear diatomic molecule, the energy of ortho-H{sub 2}{sup -} anions at the ground state is lower than that of para-H{sub 2}{sup -} anions, whereas that of ortho-H{sub 2} molecules is higher than that of ...

1996-11-01

392

Adsorption of benzene on graphitized thermal carbon black: reduction of the quadrupole moment in the adsorbed phase.  

Science.gov (United States)

The performance of intermolecular potential models on the adsorption of benzene on graphitized thermal carbon black at various temperatures is investigated. Two models contain only dispersive sites, whereas the other two models account explicitly for the dispersive and electrostatic sites. Using numerous data in the literature on benzene adsorption on graphitized thermal carbon black at various temperatures, we have found that the effect of surface mediation on interaction between adsorbed benzene molecules must be accounted for to describe correctly the adsorption isotherm as well as the isosteric heat. Among the two models with partial charges tested, the WSKS model of Wick et al. that has only six dispersive sites and three discrete partial charges is better than the very expensive all-atom model of Jorgensen and Severance. Adsorbed benzene molecules on graphitized thermal carbon black have a complex orientation with respect to distance from ...

2006-01-31

397

Turbidimetric determination of sulfite ion in inhibited ethylene glycol-water solutions  

Science.gov (United States)

Turbidimetric method for determining sulfite in inhibited ethylene glycol-water solutions

1970-01-01

398
399

REPORT NO. 853  

Science.gov (United States)

water and of the ethylene glycol-water solutions are shown as functions of temperature in figures 4 and 5, respectively. (data from reference 4). ...

400

Process for reducing the water content of coal containing bound water  

Energy Technology Data Exchange (ETDEWEB)

An improved process is disclosed for reducing the water content of coal containing bound water by releasing at least a portion of the bound water by maintaining the coal at a temperature from about 220/sup 0/ to about 500/sup 0/ F. in the presence of water at a pressure sufficient to maintain at least portion of the water in a liquid phase for a time sufficient to release at least a portion of the bound water wherein the improvement comprises contacting the coal during such treatment with an active material selected from the group consisting of carboxylic organic acids containing up to about 6 carbon atoms, phenol, phenolic acids and inorganic acids.

1983-08-23

401

Implementation of the national desalination and water purification technology roadmap : structuring and directing the development of water supply solutions.  

Energy Technology Data Exchange (ETDEWEB)

In the United States, economic growth increasingly requires that greater volumes of freshwater be made available for new users, yet supplies of freshwater are already allocated to existing users. Currently, water for new users is made available through re-allocation of xisting water supplies-for example, by cities purchasing agricultural water rights. Water may also be made available through conservation efforts and, in some locales, through the development of ''new'' water from non-traditional sources such as the oceans, deep aquifer rackish groundwater, and water reuse.

2006-06-01

402

Energy and Water Conservation  

Science.gov (United States)

Jet Propulsion Laboratory. California Institute of Technology. Pasadena, California. Energy and Water Conservation. Steve Rigdon. Facilities Energy Manager ...

403

Combustible Water Repellent Coating.  

Science.gov (United States)

... Descriptors : *Combustible cartridge cases, *Water repellents, *Protective coatings, *Patents, Silica gel, Aluminum compounds, Binders ...

1973-07-24

404

Water chemistry and corrosion in water-steam circuits of nuclear power plants  

Energy Technology Data Exchange (ETDEWEB)

The water and steam circuits of steam generators in pressurized-water nuclear power plants are described together with the mechanism of denting, and the corrosion of spacer plates that leads to cracks in tubes by constriction. The different chemical specifications applicable to the water of the secondary circuit of the generators in normal operation and on first commissioning are listed. The results obtained and the measurements of chemical values taken in operation on the water in the secondary circuits of steam generators at Fessenheim and Bugey are presented.

1981-05-01

405

Water chemistry and corrosion in water-steam circuits of nuclear power plants  

International Nuclear Information System (INIS)

The water and steam circuits of steam generators in pressurized-water nuclear power plants are described together with the mechanism of denting, and the corrosion of spacer plates that leads to cracks in tubes by constriction. The different chemical specifications applicable to the water of the secondary circuit of the generators in normal operation and on first commissioning are listed. The results obtained and the measurements of chemical values taken in operation on the water in the secondary circuits of steam generators at Fessenheim and Bugey are presented.

406

Development of radioimmunometric assays and kits for non-clinical applications. Proceedings of a final research coordination meeting  

International Nuclear Information System (INIS)

Immunoassays are versatile analytical techniques that had a leading role in various clinical applications, during the last four decades. The studies carried out by Rosalyn Yalow, Solomon Berson and Roger Ekins in the 1960s gave a breakthrough in the development of this novel analytical method. Sensitivity up to femtomolar concentrations, high specificity and universal application to different classes of molecular species made immunoassay a very useful tool in analytical investigation. The expertise acquired by immunochemists in producing antibodies against any antigen and the ability of radiochemists in labeling the antigens with "1"2"5I without affecting the active site are the two main factors responsible for the above development. There are concerns about the safety and health of humans due to the high-level contamination of environment by pesticides, industrial compounds and metals, anabolic steroids in milk and meat products, and presence of mycotoxins in food and feed ...

2004-12-06

407

Time-dependent wavepacket calculations of molecular scattering from surfaces  

International Nuclear Information System (INIS)

An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on diffractive scattering of atoms and light ...

1986-01-01

408

Reactivity differences of hydroxyl radicals and hydrated electrons in destructing azo dyes  

International Nuclear Information System (INIS)

The high-energy radiation-induced degradation of an H-acid derivative azo dye, Apollofix-Red SF-28 (AR-28) was studied in aqueous solution by using pulse radiolysis with kinetic spectroscopic detection for transient measurements. Gamma radiolysis with UV-VIS spectroscopy and gradient ionpair HPLC separation with diode array detection were applied for following the destruction of AR-28 and measuring the products. The reactions of hydrated electron (e_a_q "-) and hydroxyl ("#centre dot#OH) radical were investigated separately. "#centre dot#OH reacts with the unsaturated bonds of the molecule. In the further reactions of the "#centre dot#OH adduct radicals, the AR-28 molecules partly reform with a slightly modified structure. The products formed in the first reaction of "#centre dot#OH and AR-28 molecules have also high reactivity towards the "#centre dot#OH radicals. For these reasons the efficiency of "#centre dot#OH ...

409

New horizons of zeolite supported catalysts  

International Nuclear Information System (INIS)

This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing ...

1992-04-05

410

High resolution spectroscopy of second overtone transitions in solid parahydrogen  

Energy Technology Data Exchange (ETDEWEB)

The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule ...

1995-12-31

411

Glycosaminoglycan synthesis by subpopulations of epithelial cells from a mammary adenocarcinoma  

Energy Technology Data Exchange (ETDEWEB)

Glycosaminoglycan synthesis by two subpopulations of a mouse mammary tumor cell line was compared. The two sublines express distinctly different growth characteristics in vitro and in vivo which indicate differences in growth regulation. Newly made glycosaminoglycans were recovered from the culture media, the cell surfaces, and residual cellular material. The cell population which grows more aggressively in vivo (+SA subline, a subline that grows in soft agarose) incorporated about 8 times more (/sup 14/C)glucosamine per cell into total glycosaminoglycans than did the slower-growing population (-SA subline, which does not grow in soft agarose). Appropriate control experiments indicated that the apparent difference in rates of synthesis was not due to discrepancies in glucosamine uptake. The main residual cellular molecule labeled was heparan sulfate, but the predominant molecule at the cell surface and in the culture fluid was hyaluronic acid. ...

1982-06-01

412

Distance-dependent interactions between gold nanoparticles and fluorescent molecules with DNA as tunable spacers  

International Nuclear Information System (INIS)

Using stoichiometrically controlled 1:1 functionalization of gold nanoparticles with fluorescent dye molecules in which the dye molecule is held away from the particle surface by a rigid DNA spacer allows precise determination of the distance-dependent effect of the metal nanoparticles on fluorescence intensity. Two dyes were studied, Cy3 and Cy5, with two sizes of nanoparticles, 5 and 10 nm. The larger the particle, the more quenching of the photoluminescence (PL) intensity, due to increased overlap of the dye's emission spectrum with the Au surface plasmon resonance. Fluorescence is quenched significantly for distances somewhat larger than the particle diameter, in good agreement with the predictions of an electrodynamics model based on interacting dipoles. The distance dependence of surface energy transfer behavior, i.e. quenching efficiency, is proportional to 1/d4, which involves no consideration of the size of the particle and the ...

2009-12-02

413

Configurational diffusion of coal macromolecules  

Energy Technology Data Exchange (ETDEWEB)

The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst ...

1991-01-01

414

Antihemostatic molecules from saliva of blood-feeding arthropods.  

Science.gov (United States)

The ability to feed on vertebrate blood has evolved many times in various arthropod clades. Each time this trait evolves, novel solutions to the problem posed by vertebrate hemostasis are generated. Consequently, saliva of blood-feeding arthropods has proven to be a rich source of antihemostatic molecules. Vasodilators include nitrophorins (nitric oxide storage and transport heme proteins), a variety of peptides that mimic endogenous vasodilatory neuropeptides, and proteins that catabolize or sequester endogenous vasoconstrictors. A variety of platelet aggregation inhibitors antagonize platelet responses to wound-generated signals, including ADP, thrombin, and collagen. Anticoagulants disrupt elements of both the intrinsic and extrinsic pathways. Molecular approaches (termed 'sialomics') to characterize the full inventory of mRNAs transcribed in salivary glands have revealed a surprising level of complexity within a single species. Multiple salivary proteins may be ...

2005-01-01

415

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

Science.gov (United States)

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, we used as constraints some deuterium ...

2007-03-03

416

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

Energy Technology Data Exchange (ETDEWEB)

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, we used as constraints some deuterium ...

2007-05-15

417

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

International Nuclear Information System (INIS)

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, we used as constraints some deuterium ...

2007-05-01

418

Vibrational Spectroscopic Study of 2 And 3-Methylpiperidine  

International Nuclear Information System (INIS)

In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.

2008-08-25

419

Total cross sections for electron scattering by oxides of iron  

Energy Technology Data Exchange (ETDEWEB)

Total (elastic+inelastic) cross sections for electron impact on FeO, Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} have been calculated in the energy range 20-5000 eV by employing the additivity rule which expresses the total cross section of a molecule as an incoherent sum over the total cross sections of the constituent atoms of the molecule. The electron-atom cross sections have been obtained by a complex optical potential method through partial-wave analysis. The total cross sections for all the oxides of iron exhibit a maximum around 30 eV. The inelastic cross sections are upper bounds to the corresponding ionisation cross sections. Bethe parameters for inelastic cross sections are given. ((orig.))

1995-02-27

420

The ribosome and the mechanism of protein synthesis  

Energy Technology Data Exchange (ETDEWEB)

In virtually all forms of life on earth, proteins in each cell are made according to a genetic blueprint, in the form of DNA. The translation of copies of this genetic blueprint (in the form of messenger RNA) into polypeptides is performed on the ribosome, a highly complex molecular machine composed of RNAs and proteins. To this end, special adaptor molecules called transfer RNAs are lined up by the ribosome in the sequence dictated by the genetic code, such that the amino acids carried by these molecules can be linked into a polypeptide. Several cofactors are involved in these processes, some of which require energy freed up by GTP hydrolysis. Although the ribosome was discovered more than 50 years ago, its structure has only been solved recently by X-ray crystallography. Another technique, cryo-electron microscopy, is starting to contribute toward our understanding of the ribosome's function, by portraying its conformational changes ...

2006-05-01

421

Spectrophotometric study of lanthanoid complexes with antipyrine and salicylic acid  

International Nuclear Information System (INIS)

The extraction-spectrophotometric method has been used to study lanthanoid ion complexing (Pr, Nd, Ho and Er) with antipyrine (Ant) and salicylic acid (Sal). The component relationship in different-ligand compounds Ln:Aut:Sal=2:3:6 and solvate number equal to 5 are determined; molar extinction coefficients of binary and different-ligand compounds are calculated. Oscillator strengths of absorption bands corresponding to supersensitive transitions of neodymium, holmium, erbium and some most intensive praseodymium bands are calculated. The study of IR spectra of investigated compounds allows to conclude on formation of coordination bonds of the central atom with the antipyrine molecule through the oxygen of the carbonyl group as well as on carboxyl group hydrogen substitution for metal and formation of coordination bond with OH group in salicylic acid molecules.

1981-01-01

422

Specificity of the human proteoglycan radioimmunoassay  

Energy Technology Data Exchange (ETDEWEB)

The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

1981-01-01

423

Spatial fluorescence cross correlation spectroscopy by means of a spatial light modulator  

CERN Document Server

Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.

2008-01-01

424

Radiopharmaceuticals labelled with positron emitting radionuclides  

International Nuclear Information System (INIS)

A brief survey is presented of the methods of preparation and of the applications of radiopharmaceuticals labelled with short-lived positron radionuclides "1"1C, "1"8F, "1"3N and "1"5O which, thanks to their energy level schemes, short half-life and the 511 keV photon radiation energy are almost ideal tracers in modern nuclear medicine and pharmacology. In conjunction with computerized tomography, they represent one of the most sensitive diagnostic imaging methods, the so-called positron emission tomography. In addition, their incorporation in the molecule of a pharmaceutical does not change the biological and chemical properties of the original molecule unlike those of radiopharmaceuticals labelled with technetium, iodine, etc. (author). 125 refs.

1989-01-01

425

Quercetin-induced downregulation of phospholipase D1 inhibits proliferation and invasion in U87 glioma cells  

British Library Electronic Table of Contents (United Kingdom)

Phospholipase D (PLD) has been recognized as a regulator of cell proliferation and tumorigenesis, but little is known about the molecules regulating PLD expression. Thus, the identification of small molecules inhibiting PLD expression would be an important advance in PLD-mediated physiology. Quercetin, a ubiquitous bioactive flavonoid, is known to inhibit proliferation and induce apoptosis in a variety of cancer cells. In the present study, we examined the effect of quercetin on the expression of PLD in U87 glioma cells. Quercetin significantly suppressed the expression of PLD1 at the transcriptional level. Moreover, quercetin abolished the protein expression of PLD1 in a time and dose-dependent manner, as well as inhibited PLD activity. Quercetin suppressed NFkB-induced PLD1 expression vi...

2011-01-01

426

Purpurin is a key molecule for cell differentiation during the early development of zebrafish retina  

British Library Electronic Table of Contents (United Kingdom)

Recently, we cloned purpurin cDNA as an upregulated gene in the axotomized fish retina. The retina-specific protein was secreted from photoreceptors to ganglion cell layer during an early stage of optic nerve regeneration in zebrafish retina. The purpurin worked as a trigger molecule for axonal regrowth in adult injured fish retina. During zebrafish development, purpurin mRNA first appeared in ventral retina at 2 days post-fertilization (dpf) and spread out to the outer nuclear layer at 3 dpf. Here, we investigated the role of purpurin for zebrafish retinal development using morpholino gene knockdown technique. Injection of purpurin morpholino into the 1-2 cell stage of embryos significantly inhibited the transcriptional and translational expression of purpurin at 3 dpf. In the purpurin mo...

2009-01-01

427

Oligoaryl Cruciform Structures as Model Compounds for Coordination-Induced Single-Molecule Switches (Eur. J. Org. Chem. 5/2010)  

British Library Electronic Table of Contents (United Kingdom)

The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.

2010-01-01

428

Molecular statistical calculation of thermodynamic characteristics of adsorption of O-, S-, and Se-containing heteroadamantanes on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...

2010-01-01

429

Mechanism of the retention of ion associates of heteropoly acids with trioctylamine on a nitrile phase  

International Nuclear Information System (INIS)

The separation and the mechanism of retention of ion associates of #alpha#-isomers of molybdic and tungstic heteropoly acids (HPA) of phosphorus(5), silicon(4), and germanium(4) with trioctylamine (TOA) on a column (80x3 mm) packed with Diasorb-130-CN (8 #mu#m) were studied in a flow of chloroform-tetrahydrofuran (THF) and chloroform-n-butanol-TOA mixtures with spectrophotometric detection at 320 nm. It is demonstrated that the adsorption of all the studied ion associates proceeds through the displacement THF molecule from the surface of the stationary phase and without the displacement of TOA molecules. Conditions for the separation of phospho- and silicomolybdic HPA and also phospho- and germanolybdic HPA were found. The chromatographic system using silica gel modified with nitrile groups as the stationary phase is of higher selective than that using ummodified silica gel.

430

General polarization capacity of dual electric layers of anthracite in aqueous solutions  

Energy Technology Data Exchange (ETDEWEB)

Investigates polarographically determined capacitative curves of Soviet anthracite (Removsk seam) in solutions of KCl, HCl, phenol, propyl, butyl, amyl and hexyl alcohols. The curves were found to be asymmetric and to raise quickly in their cathode range. Their dependence on electrolyte concentration and displacements of their zero charge points were observed. Displacement values of zero charge potential were tabulated for organic compounds. It was possible to calculate displacements taking the non-uniformity of coal structure into account. It was further possible to assess surface interactions between coal and adsorbed molecules from the viewpoint of molecular energy. Orientation of phenol and alcohol molecules on the coal surface is also pointed out. 10 refs.

1991-03-01

431

Extraction of hafnium by 1-phenyl-3-methyl-4-benzoyl-5-pyralozone from aqueous-alcoholic solutions  

International Nuclear Information System (INIS)

Extraction of hafnium by 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (HL) in benzene, toluene, chloroform and tetrachloromethane from aqueous-alcoholic solutions of the formal acidity of 2M-HClO_4 was studied. Methyl, ethyl, n- and isopropyl, tert-butyl and allyl alcohol as well as ethylene glycol monomethyl ether and propylene glycol were used as organic components of the mixed aqueous-organic phase. Their presence in some cases resulted in a synergic increase in the distribution ratio of hafnium. The increase is interpreted using the results of a slope analysis and measurements of the alcohol distribution and the relative permittivity of the organic phase. It is suggested that HfL_4 molecules were solvated by alcohol molecules in the organic phase. At high alcohol concentration synergism changed into antagonism. This was caused by changes in the distribution of HL and its interaction with the alcohol in the organic phase. (author).

432

Exploring the binding of the strong organic acceptor F{sub 4}TCNQ to coinage metals  

Energy Technology Data Exchange (ETDEWEB)

Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.

2008-07-01

433

Copper-64 Radiopharmaceuticals for PET Imaging of Cancer: Advances in Preclinical and Clinical Research  

British Library Electronic Table of Contents (United Kingdom)

Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...

2009-01-01

434

Coalification by clay-catalyzed oligomerization of plant monomers. [Methyleugenol  

Science.gov (United States)

During this report period, we have obtained a model of montmorillonite clay, and this model has been of great assistance in visualizing how the chemistry of substrate molecules might be altered as it occurs on the surface of the clay. A stereochemical representation of this montmorillonite model is shown. Of particular significance, this model indicates that hydroxyl groups are located in the center of each siloxane ring on the surface of the montmorillonite clay. These hydroxyl groups might serve to bond substrate molecules to the surface of the clay. The next step in our systematic examination of the radical cation-initiated dimerization of plant monomers from the C{sub 6}-C{sub 3} pool of shikimic acid metabolites was to study the dimerization of cinnamic acid and its derivatives. In the next block of research, we examined the reaction of montmorillonite clay (K-10) with methyleugenol. 2 refs.

1990-01-01

435

A variable gene delivery carrier-biotinylated chitosan/polyethyleneimine  

International Nuclear Information System (INIS)

A variable gene delivery system has been developed based on conjugating chitosan to biotin through a functionalized poly(ethylene glycol) (PEG) spacer, which can be used to further bind different molecules on the outer layer of a polymer/DNA complex by streptavidin (SA)-biotin linkage. In this study, TAT-conjugated SA was used as the model molecule to prove the conjugation function of the prepared complex. In addition, low-molecular-weight poly(ethyleneimine) (PEI) was added into the polymer/DNA complex to increase the transfection efficiency. The results of the luciferase assay show that the transfection efficiency of the prepared complex was significantly correlated with the amount of PEI and was further enhanced when TAT was conjugated to the complex by SA-biotin linkage. Considered to have negligible cytotoxic effects, the variable gene delivery complex prepared in this study would be of considerable potential as carriers for in vitro ...

2010-12-01

436

A density Functional Calculations on The Geometrical Electronic and Nonlinear Optical Properties of Thienyl Oxazoles and Thienyl Isoxazoles  

International Nuclear Information System (INIS)

Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.

2008-08-25

437

Cooling facility for reactor container  

International Nuclear Information System (INIS)

Cooling water is sprayed on the outer surface of an upper portion of a container, and a pool is formed by the cooling water flowing down while cooling the container. Further, the cooling water stored in the cooling water pool is recycled by a pump for spraying the cooling water on the outer surface of the upper portion of the container. Sufficient amount of cooling water is supplied for spraying the cooling water to the outer surface of the upper portion of the container so that the outer surface of the container is free from drying and a liquid membrane is formed on the entire surface. The amount of the cooling water is made greater than that of the cooling water evaporated when the entire amount of the heat generate in the reactor core of the reactor is transferred to the cooling ...

1993-05-07

438

Water resources data for Texas, water year 1993. Volume 3. Colorado River basin, Lavaca River basin, Guadalupe River basin, Nueces River basin, Rio Grande basin, and intervening coastal basins. Water-data report (Annual), 1 October 1992-30 September 1993  

Energy Technology Data Exchange (ETDEWEB)

Water-resources data for the 1993 water year for Texas are presented in four volumes, and consist of records of stage, discharge, and water quality of streams and canals; and stage, contents, and water quality of lakes and reservoirs; and water levels and water quality of ground-water wells. Volume 3 contains records for water discharge at 134 gaging stations; stage only at 1 gaging stations; stage and contents at 13 lakes and reservoirs; water quality at 81 gaging stations; and data for 30 partial-record and 4 flood-hydrograph partial-record stations. Also included are lists of discontinued surface-water discharge or stage-only stations and discontinued surface-water-quality stations; crest-stage and flood-hydrograph partial-record stations, reconnaissance ...

1994-03-01

439

Interaction of water with epoxy.  

Energy Technology Data Exchange (ETDEWEB)

The chemistries of reactants, plasticizers, solvents and additives in an epoxy paint are discussed. Polyamide additives may play an important role in the absorption of molecular iodine by epoxy paints. It is recommended that the unsaturation of the polyamide additive in the epoxy cure be determined. Experimental studies of water absorption by epoxy resins are discussed. These studies show that absorption can disrupt hydrogen bonds among segments of the polymers and cause swelling of the polymer. The water absorption increases the diffusion coefficient of water within the polymer. Permanent damage to the polymer can result if water causes hydrolysis of ether linkages. Water desorption studies are recommended to ascertain how water absorption affects epoxy paint.

2009-07-01

440

European Commission - Environment  

Wastenet

...Species - see CITES Trade of Dangerous Chemicals Transport and Environment U Urban Environment Use of natural resources V Volatile Organic Compounds W Waste Landfills Waste electrical and electronic equipment - see WEEE Waste incineration Waste legislation - reporting Waste management planning Waste oils Waste shipments Waste water - see Urban waste water Water Bathing Water Drinking water Floods Marine environment Urban waste water Water Framework Directive WEEE - Waste Electric and Electronic Equipment Wildlife ...

441

Phosphorus and nitrogen in the eutrophication of waters. Fosfori ja typpi vesien rehevoeittaejinae - vaikutusten arviointi  

Energy Technology Data Exchange (ETDEWEB)

This report is a summary of the contribution of nitrogen and phosphorus in the eutrophication process of inland and coastal waters. Special attention was paid to the mechanisms of these nutrients in regulating biological processes and to the methods available in estimating their effects in the eutrophication of water bodies. The report includes five chapters which are entitled: Introduction, which is a general background to the subject with special attention to the requirements of the Finnish Water Act. Phosphorus and nitrogen as factors regulating biological processes. The topics included are: definition of eutrophication, forms of phosphorus and nitrogen and their sources to inland and coastal waters, effects of these nutrients as growth factors of phytoplankton and macrophytes and consequences of eutrophication. Estimation of the effects of phosphorus and nitrogen. The topics discussed from the point ...

1992-01-01

442

Formulation and make-up of simulate dilute water, low ionic content aqueous solution  

Energy Technology Data Exchange (ETDEWEB)

This procedure describes the formulation and make-up of Simulated Dilute Water (SOW), a low-ionic-content water to be used for Activity E-20-50, Long-Term Corrosion Studies. This water has an ionic content which is nominally a factor of ten higher than that of representative waters at or near Yucca Mountain. Representative waters were chosen as J-13 well water [Harrar, 1990] and perched water at Yucca Mountain [Glassley, 1996]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock. The perched water is located in the Topopah Spring tuff, but below the repository horizon and above the water table. A nominal times ten higher ionic content was chosen to simulate the effect of ionic ...

1997-04-04

443

On-farm water management in saline groundwater area under scarce canal water supply condition in the Northwest India  

British Library Electronic Table of Contents (United Kingdom)

The study investigates the possibility of enhancing crop water productivity in the parts of Northwest India where groundwater quality is marginal and canal water supply is severely scarce. Soil, Water, Atmosphere and Plant (SWAP) model was calibrated and validated in three farmers' fields with varying canal water availability and groundwater quality in the Kaithal Irrigation Circle of the Bhakra Canal system, Haryana. On the basis of predicted and observed soil water content, pressure heads, salt concentration at 2 week intervals and crop yields, the model was found suitable for use in the region. A few nomographs were prepared to provide a graphical method to predict the effect of different combinations of water quality and depth of water application on crop yield and soil salinity and to...

2008-01-01

444

Major roles of water chemistry for safe and reliable nuclear power plant operation. Research committee on water chemistry standard  

International Nuclear Information System (INIS)

The research committee of the Atomic Energy Society of Japan on water chemistry standard aims at establishing the private standard of water chemistry of nuclear power plants. The committee gathers up 'BWR water chemistry management manual', 'PWR primary system water chemistry management manual' and 'PWR water chemical analysis standard method', and furthermore aims at the standardization of those in future. Looking back on the committee's activities for the past four years, latest results of research of water chemistry mainly contributing to safe and reliable nuclear power plants were described with the future perspective of water chemistry and a demanded break-through. (T.T.)

2007-05-01

445

Laser-fluorescence determination of trace uranium in hot spring water, geothermal water and tap water in Xi'an Lishan region  

International Nuclear Information System (INIS)

Using the Laser-Fluorescence technique, an investigation was made, adopting the standard mix method, on trace uranium concentrations in hot spring water and geothermal water from Lishan region, and in tap water from some major cities in Shanxi province. Totally 40 samples from 27 sites were investigated. Measurement showed that the tap water contains around 10"-"6 g/L of uranium, whose concentrations in both hot spring water and geothermal water are 10"-"5 g/L. Most of samples are at normal radioactive background level, some higher contents were determined in a few samples

2002-03-01

446

Corrosion behavior of iron and nickel base alloys in high temperature and pressure water  

International Nuclear Information System (INIS)

In equipment industries, the equipments handling industrial water and pure water are numerous. In power generation including nuclear power generation, water serves as a working medium. Review is made on the experiences in the corrosion of iron and nickel base alloys in high temperature, high pressure water and the results of researches derived from them. Under high temperature and high pressure, carbon steel, low alloy steel, stainless steel and high nickel alloy cause corrosion even in pure water. But in the case of serious corrosion, chlorine, oxygen, alkali and others in water take part. The following matters are described: corrosion by steam; stress corrosion cracking in pure water; corrosion by impurities in high temperature, high pressure pure water, i.e. chlorine ions, dissolved oxygen, and alkali; corrosion under ...

447

AquaMagna Water Conditioner and Descaler  

Wastenet

...AquaMagna Water Conditioner and Descaler OCETA Environmental Technology & Business Profiles AQUAMAGNA WATER CONDITIONER AND DESCALER CAT. #03-018 CONTACT: Magna-Tek ...removal high-strength ceramic magnet no energy input The AquaMagna Water Conditioner and Descaler is a non-chemical method of water treatment. The technology uses ... Figure 1: The AquaMagna Water Conditioner and Descaler PROCESS/ PRODUCT APPLICATION: hard water domestic water process water reverse osmosis heat exchangers cooling ... For once-through or recirculating heating or cooling equipment, the AquaMagna descaler improves thermal efficiencies and reduces downtime. Figure 2 illustrates a cross-section ...

448

A novel domestic electric water heater model for a multi-objective demand side management program  

Energy Technology Data Exchange (ETDEWEB)

This paper presents a novel domestic hot water heater model to be used in a multi-objective demand side management program. The model incorporates both the thermal losses and the water usage to determine the temperature of the water in the tank. Water heater loads are extracted from household load data and then used to determine the household water usage patterns. The benefits of the model are: (1) the on/off state of the water heater and temperature of the water in the tank can be accurately predicted, and (2) it enables the development of water usage profiles so that users can be classified based on usage behaviour. As a result, the amount of ancillary services and peak shaving that can be achieved are accurately predictable and can be maximized without adversely affecting users. (author)

2010-12-15

449

The ecological role of bacteriocins in bacterial competition.  

Science.gov (United States)

Bacteriocins are an abundant class of antimicrobial molecules that appear to mediate population dynamics within species. The bacteriocins of Escherichia coli have served as a model for exploring the ecological role of these potent toxins. Studies suggest that colicins provide a competitive edge in nutrient-poor environments and that there might be a trade-off between the costs and benefits of colicin production. PMID:10203843

1999-03-01

450

Systemic combinatorial peptide selection yields a non-canonical iron-mimicry mechanism for targeting tumors in a mouse model of human glioblastoma  

UK PubMed Central (United Kingdom)

The management of CNS tumors is limited by the blood-brain barrier (BBB), a vascular interface that restricts the passage of most molecules from the blood into the brain. Here we show that phage particles...Full Text Available

2011-01-04

451

Structural changes of lower rank coals by cation exchange  

Energy Technology Data Exchange (ETDEWEB)

Three subbituminous coals of different rank demineralized in HCl and HF aqueous solutions were treated with several metal salt aqueous solutions to produce corresponding cation exchanged coals. In this treatment, the demineralized coals were exchanged by cations (K{sup +}, Na{sup +}, Mg{sup 2+}, Ca{sup 2+}, Fe{sup 3+} and Al{sup 3+}), which are known to be the major elements in coal minerals. The relations between the content and the kind of exchanged cations were investigated. For lower rank coals, such as Adaro and Black Thunder coals, almost linear relations between the content of exchanged cations and the decreasing amounts of pyridine soluble yields of the cation exchanged coals based on the values in the respective demineralized coals were found. From the differences of the gradients, it was confirmed that the noncovalent associations such as hydrogen bonds between pyridine and coal molecules were proportionally reduced by cation exchange, that is, uni and ...

1999-06-01

452

Structural basis of binding of fluorescent, site-specific dansylated amino acids to human serum albumin  

UK PubMed Central (United Kingdom)

Human serum albumin (HSA) has two primary binding sites for drug molecules. These sites selectively bind different dansylated amino acid compounds, which—due to their intrinsic fluorescence—have...Full Text Available

2011-04-01

453

Separation of isomers of saturated polycyclic hydrocarbons in packed capillary columns with graphitized thermal carbon black  

Energy Technology Data Exchange (ETDEWEB)

Using the example of perhydrophenanthrene, perhydroanthracene and cyclopentanodecalin isomers a possibility is shown to use packed capillary columns containing graphitized thermal carbon black for a complete separation of high-boiling mixtures of polycyclic saturated hydrocarbon isomers in accordance with the geometric structure of their molecules.

1981-03-01

454

Quantum Afterburner Improving the Efficiency of an Ideal Heat Engine  

CERN Document Server

By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.

2002-01-01

455

Pulsed plasma processing of effluent pollutants and toxic chemicals  

International Nuclear Information System (INIS)

The author is exploring the efficiency of pulsed plasma processing in the removal of nitrogen dioxide, nitrogen oxide, and other pollutants. This process uses an electrical discharge to create chemical radicals from air molecules. These radicals can react with pollutants and form harmless compounds. Additives such as hydrocarbons are also used to improve the efficiency of the removal. The efficient removal of nitrogen dioxide has required the presence of dilute aqueous solution of ammonia.

1994-05-01

456

Pharmaceutics | Special Issue: Molecular Imaging  

Wastenet

...) Abstract: Fluorescence microscopic imaging is widely used in biomedical research to study molecular and cellular processes in cell culture or tissue samples. This is motivated by the high inherent sensitivity of fluorescence techniques, the spatial resolution that compares favorably with cellular dimensions, the stability of the fluorescent labels used and the sophisticated strategies that have been developed for selectively labeling target molecules. More recently, two and ...

457

Parahydrogen clusters: Numerical estimates and physical effects  

Energy Technology Data Exchange (ETDEWEB)

We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.

2009-02-01

458

Nuclear Raman processes and the development of gamma-ray lasers  

International Nuclear Information System (INIS)

This review briefly describes current efforts to develop superradiant sources of coherent radiation for the sub-nanometer range of wavelenghs, using nuclear rather than the atomic or molecular transitions that are stimulated in existing lasers. First the radiative (including Raman) interactions of nuclei with those of atoms and molecules are compared; then the present status of research on the fundamental problems involved in stimulating nuclear gamma radiation is described. (author). 20 refs.; 2 figs.

459

Neutrons in Biology. A satellite meeting of the IUPAB/EBSA biophysics congress  

Energy Technology Data Exchange (ETDEWEB)

This meeting focussed on the study of the structure and dynamics of biological molecules, with particular emphasis on neutron and complementary methods as well as related enabling technologies. The program covered biological problems that are being addressed by neutron scattering and those where there is the potential to do so in the future. This document provides the abstracts of the different presentations. (A.L.B.)

2005-07-01

460

Neutralization of negative ion beams by a gas dynamic laser  

Energy Technology Data Exchange (ETDEWEB)

The possibility of applying the near infrared gas dynamic lasers (GDL) for neutralization of negative ion beams is examined. A criterion of neutralization is suggested. The use of the criterion makes it possible to select an optically active medium for a negative ion neutralization. To demonstrate the method media containing hydrohalogens as imitating molecules are taken. ((orig.))

1994-11-01

461

Natural gas conversion to higher hydrocarbons using plasma interactions with surfaces. Final report  

Energy Technology Data Exchange (ETDEWEB)

Experiments are reported in which a methane plasma is created, and the methyl ions and hydrogen ions are accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 10 eV to greater than 100 eV, and the energy delivered in the interaction at the surfaces causes the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}m C{sub 6}, C{sub 7}m and C{sub 8} molecules. There is a decreasing percentage of larger molecules produced, in comparison with the C{sub 2} and C{sub 3} types. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The yield of the higher hydrocarbons depends upon the ...

1993-12-01

462

NPM-ALK and the JunB transcription factor regulate the expression of cytotoxic molecules in ALK-positive, anaplastic large cell lymphoma  

UK PubMed Central (United Kingdom)

Anaplastic lymphoma kinase-positive, anaplastic large cell lymphoma (ALK+ ALCL) is an aggressive non-Hodgkin lymphoma of T/null immunophenotype that is most prevalent in children and young adults. The...Full Text Available

2011-02-15

463

Molecules with polymerizable ligands as precursors to porous doped materials  

Energy Technology Data Exchange (ETDEWEB)

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

464

Magnetic resonance studies of photosynthetic reaction centers and porphyrins  

Science.gov (United States)

During the period covered by this report research has been concerned with the study of photo-induced electron transfer reactions from porphyrins to acceptor molecules with time-resolved Electron Paramagnetic Resonance (EPR) methods. Excited-state electron transfer reactions are of importance from a fundamental point of view and in connection with applications in homogeneous and heterogeneous photosensitization, photopolymerization, and solar energy conversions. For this reason, the study of photo-induced electron transfer reactions is of considerable interest.

1989-11-01

465

Iodine-123-labeled pH shift brain-imaging agents  

International Nuclear Information System (INIS)

HIPDM is an "1"2"3I-labeled agent with a distribution in brain reflecting regional perfusion. This compound is neutral and lipid soluble at blood pH and freely crosses the blood-brain barrier. At the lower pH in brain, it picks up a hydrogen ion and becomes positively charged. In this form the molecule is not lipid soluble and it is trapped in brain.

1982-05-03

466

Improved understanding of atmospheric organic aerosols via innovations in soft ionization aerosol mass spectrometry.  

Science.gov (United States)

Organic molecules are a significant and highly varied component of atmospheric aerosols. Measurement of aerosol composition and improvements in our understanding of the complex chemistry involved in their formation and aging are being aided by innovations in soft ionization aerosol MS. (To listen to a podcast about this feature, please go to the Analytical Chemistry multimedia page at pubs.acs.org/page/ancham/audio/index.html.). PMID:21275431

2011-01-24

467

IJMS | Section: Physical Chemistry, Theoretical and Computational Chemistry | Special Issue: Recent Advances in Molecular Electronics  

Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

468

Hybrid functionals and their application to small molecules and solids  

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of ...

2005-09-27

469

Glutamine-linked and Non-consensus Asparagine-linked Oligosaccharides Present in Human Recombinant Antibodies Define Novel Protein Glycosylation Motifs  

UK PubMed Central (United Kingdom)

We report the presence of oligosaccharide structures on a glutamine residue present in the VL domain sequence of a recombinant human IgG2 molecule. Residue Gln-106, present in the QGT sequence...Full Text Available

2010-05-21

470

Features of two hepatitis B virus (HBV) DNA integrations suggest mechanisms of HBV integration.  

UK PubMed Central (United Kingdom)

Two integrated hepatitis B virus (HBV) DNA molecules were cloned from two primary hepatocellular carcinomas each containing only a single integration. One integration (C3) contained a single linear...Full Text Available

1989-06-01

471

Explosives detection: the problem and prospects  

Energy Technology Data Exchange (ETDEWEB)

The history of explosives vapor detection includes almost every detection strategy known to man. Initial attempts to utilize these techniques were dismal failures. However, with the development of the Electron Capture Detector (ECD), the first promising detection of explosives vapors became possible. The present commercial explosives detectors detect the higher vapor pressure materials but not the whole spectrum. This paper describes the basic properties of explosives molecules and our research to utilize these properties for increased detection sensitivity.

1984-01-01

472

Development of laser-ion beam photodissociation methods  

Energy Technology Data Exchange (ETDEWEB)

During this report period our research efforts have concentrated on studies of the dissociation reactions of model peptides and other biologically important molecules. In addition, a considerable amount of research effort has been directed toward improving the apparatus used for laser-ion beam photodissociation. The instrumental improvements include some changes on the original apparatus, but most of this effort involved designing a second generation laser-ion beam photodissociation instrument.

1990-08-01

473

DNA, Genes and Chromosomes  

Science.gov (United States)

Today you will learn about the parts of DNA and what DNA, genes and chromosomes are. Today you will learn what DNA, genes and chromosomes are and the parts of the DNA molecule. Look at all of the websites, take whatever notes you need to. At the end of the assignment, be able to describle DNA, the parts of DNA, genes and chromosomes. Covers Biology Core Curriculum, ...

2007-11-07

474

Characterization of a Novel Small Molecule Subtype Specific Estrogen-Related Receptor ? Antagonist in MCF-7 Breast Cancer Cells  

UK PubMed Central (United Kingdom)

BackgroundThe orphan nuclear receptor estrogen-related receptor α (ERRα) is a member of the nuclear receptor superfamily. It was identified through a search for genes...Full Text Available

475

Cesium ion desorption ionization with Fourier transform mass spectrometry  

International Nuclear Information System (INIS)

Cesium ions (Cs"+) are used for the production of the feed ions necessary to obtain Fourier transform mass spectra (FTMS). The molecule chosen for the initial study of this Cs"+ desorption ionization (DI-FTMS) was vitamin B-12 because of its nonvolatile, thermally labile character. 21 references.

476

CMV Seropositivity Determines Epoetin Dose and Hemoglobin Levels in Patients with CKD  

UK PubMed Central (United Kingdom)

Cytomegalovirus (CMV)-seropositive patients with ESRD may have more CD4+ T cells lacking the co-stimulatory molecule CD28 (CD4+CD28null) than CMV-seronegative patients. Increased...Full Text Available

2009-12-01

477

Activation and Stiffness of the Inhibited States of F1-ATPase Probed by Single-molecule Manipulation  

UK PubMed Central (United Kingdom)

F1-ATPase (F1), a soluble portion of FoF1-ATP synthase (FoF1), is an ATP-driven motor in which γϵ subunits rotate in...Full Text Available

2010-04-09

478

A critical review of the hypothesis that climate change is caused by carbon dioxide  

Energy Technology Data Exchange (ETDEWEB)

This critical review with 28 references examines absorption and emission in the v2 band of the carbon dioxide molecule at around the 15micron wavelength. The argument for additional infrared absorption, the enhanced greenhouse effect due to increased carbon dioxide concentrations, and radiation transport and increased emissions are discussed. Experiments studying the transmission spectra of pure carbon dioxide and carbon dioxide in nitrogen, and comparing them with the results of climate modelling using the HITRAN and GEISA databases, are described.

2000-07-01

479

A Combinatorial Interplay Among the 1-Aminocyclopropane-1-Carboxylate Isoforms Regulates Ethylene Biosynthesis in Arabidopsis thaliana  

UK PubMed Central (United Kingdom)

Ethylene (C2H4) is a unique plant-signaling molecule that regulates numerous developmental processes. The key enzyme in the two-step biosynthetic pathway of ethylene is 1-aminocyclopropane-1-carboxylate...Full Text Available

2009-11-01

480

Water | Editorial Board  

Wastenet

...Tota-MaharajE-Mail: Interests: water and wastewater treatment, environmental engineering and sustainable systems; sustainable water management; sustainable urban drainage systems (SUDS); combined renewable energy applications with reverse osmosis desalination; microbial fuel cells for bioenergy production and treatment of urban wastewater; solar photocatalytic treatment and disinfection of water/wastewater Dr. Simon Toze CSIRO Land and Water, Queensland Bioscience Precinct - St Lucia, 306 Carmody Road, St Lucia QLD 4067,...

481

Changes in water dependence of Russian economy  

British Library Electronic Table of Contents (United Kingdom)

Indicators of source water use in different economic branches, water consumption in recycling and recycling-successive water supply in 1980?2006 are analyzed. Trends were identified in variations in specific water consumption in industry, agriculture, and municipal economy. Territorial differentiation of wetness indicators of regional product over federal districts and constituent territories of the RF is shown. Wetness values of gross domestic product in different economies are compared.

2010-01-01

482

Transition-metal dimers and physical limits on magnetic anisotropy  

British Library Electronic Table of Contents (United Kingdom)

Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage. This bit size is determined by the necessity for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the case of magnetic information storage, much attention has centred on molecular magnets with bits consisting of about 100 atoms, magnetic uniaxial anisotropy energy barriers of about 50?K and very slow relaxation at low temperatures. Here, we draw attention to the remarkable magnetic properties of some transition-metal dimers, which have energy barriers approaching 500?K with only two atoms. The spin dynamics of these ultrasmall nanomagnets is strongly affected by a Berry phase, which arises from quasi-degen...

2007-01-01

483

Thermal noise as a spectroscopic tool to determine transport properties  

British Library Electronic Table of Contents (United Kingdom)

The utilization of thermal fluctuations or Johnson/Nyquist noise as a spectroscopic method to determine transport properties in conductors or semiconductors is developed. The autocorrelation function is obtained from power spectral density measurements thus enabling electronic transport property calculation through the Green-Kubo formalism. This experimental approach is distinct from traditional numerical methods such as molecular dynamics simulations, which have been used to extract the autocorrelation function and directly related physics only. This work reports multi-transport property measurements consisting of the electronic relaxation time, resistivity, mobility, diffusion coefficient, electronic contribution to thermal conductivity and Lorenz number from experimental data. Double va...

2009-01-01

484

Theory of NMR multiple echoes in solid hydrogen  

Energy Technology Data Exchange (ETDEWEB)

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

485

Small heat shock protein 20 (HspB6) in cardiac hypertrophy and failure  

British Library Electronic Table of Contents (United Kingdom)

Hsp20, referred to as HspB6, is constitutively expressed in various tissues. Specifically, HspB6 is most highly expressed in different types of muscle including vascular, airway, colonic, bladder, and uterine smooth muscle; cardiac muscle; and skeletal muscle. It can be phosphorylated at Ser-16 by both cAMP- and cGMP-dependent protein kinases (PKA/PKG). Recently, Hsp20 and its phosphorylation have been implicated in multiple physiological and pathophysiological processes including smooth muscle relaxation, platelet aggregation, exercise training, myocardial infarction, atherosclerosis, insulin resistance and Alzheimer's disease. In the heart, key advances have been made in elucidating the significance of Hsp20 in contractile function and cardioprotection over the last decade. This mini-rev...

2011-01-01

486

Phylogeography of rabies virus isolated from dogs in Brazil between 1985 and 2006  

British Library Electronic Table of Contents (United Kingdom)

To establish the phylogeographic relationships in rabies viruses in Brazil, we studied a dataset retrieved from GenBank consisting of 71 genetic sequences from the coding region of the N gene of rabies viruses isolated in dogs over a period of 22?years. The Bayesian Markov chain Monte Carlo method available in the BEAST package was used with the GTR+G+?4 evolutionary model in conjunction with the relaxed uncorrelated lognormal molecular clock model and an exponential growth tree prior. A discrete phylogeographic diffusion model was also analyzed using a standard continuous-time Markov chain viewed with Google Earth to provide a spatial projection of the diffusion of genetic lineages based on their phylogeographic relationships. The topology of the time and substitution phylogenetic trees a...

2011-01-01

487

New pulse sequence for simultaneous T1, T2, and RHO determination in whole-body proton MR imaging  

International Nuclear Information System (INIS)

A newly developed method to support tissue characterization in routine MR imaging is presented. It represents a compromise between the practical requirements of clinical routine (short measurement time, multisection imaging) and the necessary accuracy of the relaxation parameter evaluation. The sequence employed is a modification of the PHAPS technique and works with two excitation pulses. It allows the simultaneous acquisition of all measurement data for the subsequent T1, T2, and rho evaluations. T1 is determined with a specially designed computation formula based on four signal ratios. A multiexponential T2 analysis is performed with use of 28 echoes. From these parameters, relative proton density can be computed.

488

Investigations for judging the working behaviour of components made of alloy 800 and alloy 617 under creep stress. Untersuchungen zur Beurteilung des Betriebsverhaltens kriechbeanspruchter Bauteile aus Alloy 800 und Alloy 617  

Energy Technology Data Exchange (ETDEWEB)

The program introduced here for determining and describing the multi-axial creep of pipes is based, on the one hand, on the results of the nuclear process heat prototype plant material program and, on the other hand, on the possible load conditions which arise for evaluating accidents or extreme working situations. The basis of a theoretical description of multi-axial creep is the invariant theory in which both the von Mises configuration change hypothesis and the Norton creep law are included. Combined tension and torsion are also considered in detail, the superimposition of cyclic stresses in the tensile threshold area is discussed and cases of partial relaxation are explained. Experimental results for the discussed loads are introduced, which have led to satisfactory agreement between theory and experiment. (orig./MM).

1987-01-01

489

Investigations for judging the working behaviour of components made of alloy 800 and alloy 617 under creep stress  

International Nuclear Information System (INIS)

The program introduced here for determining and describing the multi-axial creep of pipes is based, on the one hand, on the results of the nuclear process heat prototype plant material program and, on the other hand, on the possible load conditions which arise for evaluating accidents or extreme working situations. The basis of a theoretical description of multi-axial creep is the invariant theory in which both the von Mises configuration change hypothesis and the Norton creep law are included. Combined tension and torsion are also considered in detail, the superimposition of cyclic stresses in the tensile threshold area is discussed and cases of partial relaxation are explained. Experimental results for the discussed loads are introduced, which have led to satisfactory agreement between theory and experiment. (orig./MM).

1987-11-27

490

Impact properties of low alloy TRIP steels; Teigokin TRIP ko no shogeki tokusei  

Energy Technology Data Exchange (ETDEWEB)

The impact properties of high-strength low alloy TRIP steels such as 'TRIP-aided dual-phase steel' and 'TRIP-aided bainitic steel' associated with the transformation-induced plasticity (TRIP) of retained austenite were investigated for some applications to the automotive impact members. The TRIP steels possessed far higher impact absorbed value and lower ductile-brittle transition temperature than the conventional ferrite-martensite and ferrite-pearlite steels. The stress relaxation resulting from the strain-induced transformation of retained austenite islands or films improved the impact properties in terms of suppressing void and/or crack initiation and these propagation. The best impact properties were completed in the steel composing of uniform fine bainitic lath structure and a large amount of stable interlath retained austenite films. (author)

2000-08-01

491

High-temperature property data: Ferrous alloys  

Energy Technology Data Exchange (ETDEWEB)

In this book over 250 alloys are organized by AISI number into 10 major sections: Irons, Carbon Steels, Alloy Steels, Low Alloy Constructional Steels, Ultra High Strength Steels, Tool Steels, Maraging Steels, Wrought Stainless Steels, Heat Resistnat Casting Alloys, and Iron Based Rought Superalloys. Each alloy record lists the designation, specifications, UNS number, composition, product forms and a comment on the high-temperature properties and applications. Referenced data is then given for physical properties such as density, specific heat, thermal conductivity, thermal expansion, electrical conductivity, Poisson's ratio, moduli of elasticity and rigidity, etc. Mechanical properties follow, and include tensile properties, shearing and bearing properties, impact properties, creep, stress rupture and stress relaxation and fatigue properties. The last part of the alloy record gives other effects of temperature, such as hot hardness, corrosion, and growth.

1987-01-01

492

Formation of pentagonal Cu nano wires  

Energy Technology Data Exchange (ETDEWEB)

The development of nano/molecular devices will require atomic-sized electrical contacts or nano metric conductors for wiring. As metal nano wires exhibit quantized conductance at room temperature, quantum transport effects will play an important role in the practical implementation of nano devices. As copper is currently used as interconnecting metal in standard microelectronics, the characterization of Cu nano wire properties deserves special attention. In this work, we show a detailed study of structural and electronic properties of atomic-sized Cu wires. In particular, we have established a complete correlation between the conductance and the structure by associating real-time atomic resolution transmission electron microscopy imaging with molecular dynamic simulations, conductance measurements and conductance calculations. Our study has revealed the structural relaxation of Cu wires forming a pentagonal atomic arrangement along the [110] direction that allows a ...

2004-07-01

493

Drift-kink instability induced by beam ions in field-reversed configurations  

Energy Technology Data Exchange (ETDEWEB)

The drift-kink instability in field-reversed configurations with a beam component is investigated by means of a three-dimensional particle simulation. The unstable mode with the toroidal mode number n=4 grows with the rate {gamma} {approx} 0.1 - 1.0{omega}{sub ci} for a strong beam current and deforms the plasma profile along the beam orbit in the vicinity of the field-null line. This mode is nonlinearly saturated as a result of the relaxation of current profile. Both the saturation level and the growth rate tend to increase as the ratio of the beam current to the plasma current I{sub b}/I{sub p} increases. It is also found that there is a threshold value of the beam velocity {upsilon}{sub b} {approx} {upsilon}{sub Ti} (ion thermal velocity) for the excitation of the instability. (author)

1999-04-01

494

Dielectric properties of sols of silver nanoparticles capped by alkyl carboxylate ligands  

British Library Electronic Table of Contents (United Kingdom)

Sols of silver nanoparticles in toluene were studied by broadband dielectric spectroscopy (10?3?105 Hz). The frequency dependences of the specific alternating current (ac) conductivity and the complex electric modulus were used to estimate the temperature/frequency intervals of long- and short-range charge transfer occurs, respectively. A considerable increase (by more than 30 ?C) in the Vogel temperature T 0 and the glass transition temperature T g in sols compared with the pure solvent was found. It can be hypothesized that these cooperative effects reflect the initial stage of the superlattice formation. Although the dielectric characteristics of sols are generally controlled by the conductivity relaxation, the dielectric response was observed in the high-frequency range (1?103 Hz) at l...

2011-01-01

495

Dielectric abnormities in BaTi_0_._9(Ni_1_/_2W_1_/_2)_0_._1O_3 giant dielectric constant ceramics  

International Nuclear Information System (INIS)

BaTi_0_._9(Ni_1_/_2W_1_/_2)_0_._1O_3 ceramics were fabricated and their dielectric properties were investigated. With the sintering temperature increasing from 1250 to 1280 deg. C, the grain size abruptly increases from 1-2 to 20-40 #mu#m, accompanying significant changes in dielectric response. The samples with larger grains exhibit giant dielectric constant characteristics, which are considered to be mainly attributed to the domain boundary effect. The activation energies of the dielectric relaxation E_r_e_l_a_x=0.325 eV reveal the existence of microdomains in larger grains. The ac conductivity results also give the evidence of the domain boundary effect in the present ceramics.

2007-07-30

496

Dependence of the evolution of the cavity radiation of a coherently pumped correlated emission laser on dephasing and phase fluctuation  

CERN Document Server

Analysis of the dynamics of the cavity radiation of a coherently pumped correlated emission laser is presented. The phase fluctuation and dephasing are found to affect the time evolution of the two-mode squeezing and intensity of the cavity radiation significantly. The intensity and degree of the two-mode squeezing increase at early stages of the process with time, but this trend changes rapidly afterwards. It is also shown that they increase with phase fluctuation and dephasing in the strong driving limit, however the situation appears to be opposite in the weak driving limit. This essentially suggests that the phase fluctuation and dephasing weaken the coherence induced by a strong driving mechanism so that the spontaneous emission gets a chance. The other important aspect of the phase fluctuation, in this regard, is the relaxation of the time at which the maximum squeezing is manifested as well as the time in which the radiation remains in a squeezed state.

2010-01-01

497

Collisionless driven reconnection in an open system  

Energy Technology Data Exchange (ETDEWEB)

Particle simulation studies of collisionless driven reconnection in an open system are presented. Collisionless reconnection evolves in two steps in accordance with the formation of two current layers, i.e., an ion current layer in the early ion phase and an electron current layer in the late electron phase. After the electron current layer is formed inside the ion current layer, the system relaxes gradually to a steady state when convergent plasma flow is driven by an external electric field with a narrow input window. On the other hand, when the convergent plasma flow is driven from the wide input window, magnetic reconnection takes place in an intermittent manner, due to the frequent formation of magnetic islands in the vicinity of neutral sheet. (author)

2000-06-01

498

Broad-linewidth laser absorption measurements of oxygen between 211 and 235nm at high temperatures  

British Library Electronic Table of Contents (United Kingdom)

Absorption coefficient data are presented for molecular oxygen at temperatures between 1100 and 2000K and discrete wavelengths between 211 and 235nm. Measurements were made behind reflected shock waves using broad-linewidth ultraviolet laser radiation generated from a frequency-quadrupled, tunable, pulsed Ti:Sapphire laser. Test mixtures consisting of 15% O"2, 15% He and balance Ar were used to minimize the influence of vibrational relaxation on the reflected shock temperature. The experimental results are in good agreement with theoretical calculations and confirm that discrete features from the Schumann-Runge system dominate between 211 and 235nm at temperatures higher than 1100K.

2011-01-01

499

A unified framework for biological evolution and stochastic quantization  

CERN Document Server

We investigate the profound relation between the equations of biological evolution and quantum mechanics by writing a biologically inspired equation for the stochastic dynamics of an ensemble of particles. Interesting behavior is observed which is related to a new type of stochastic quantization. We find that the probability distribution of the ensemble of particles can be decomposed into eigenfunctions associated to a discrete spectrum of eigenvalues. In absence of interactions between the particles, the out-of-equilibrium dynamics asymptotically relaxes towards the fundamental state. This phenomenon can be related with the Fisher theorem in biology. On the contrary, in presence of scattering processes the evolution reaches a steady state in which the distribution of the ensemble of particles is characterized by a Bose-Einstein statistics. In order to show a concrete example of this stochastic quantization we have solved explicitly the case in which the potential ...

2010-01-01

500

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

Energy Technology Data Exchange (ETDEWEB)

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