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PubMed Journals Articles About "Dihydrogen Bonds Aqueous NaBD Solution Neutron Diffraction" RSS

15:25 EDT 30th March 2020 | BioPortfolio

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Showing "Dihydrogen Bonds Aqueous NaBD Solution Neutron Diffraction" PubMed Articles 1–25 of 7,100+

Dihydrogen Bonds in Aqueous NaBD Solution by Neutron and X-ray Diffraction.

Neutron diffraction, X-ray diffraction, and empirical potential structure refinement modeling were employed to study the structure of alkaline aqueous NaBD solutions at different NaBD concentrations and temperatures. In 1.0 mol·dm NaBD aqueous solutions, about 5.6 ± 1.6 water molecules bond to BD via tetrahedral edges or tetrahedral corners without a very specific hydration geometry; that is, each hydrogen atom of BD bonds to 2.2 ± 1.0 water molecules through dihydrogen bonds with the D(B)···D(W) dist...


Molecular Dynamics and Neutron Scattering Studies of Potassium Chloride in Aqueous Solution.

Neutron Diffraction with Isotopic Substitution (NDIS) experiments were done on both natural abundance potassium and isotopically-labeled 41KCl heavy water solutions to characterize the solvent structuring around the potassium ion in water. Preliminary measurements suggested that the literature value for the coherent neutron scattering length (2.69 fm) for 41K was significantly in error. This value was re-measured using a neutron powder diffractometer and found to be 2.40 fm. This revision increases signific...

Measurement of neutron yield and angular distribution for D-T neutron generator by neutron activation analysis method.

To measure the neutron yield of D-T neutron generator, the activation foils of iron, copper and aluminum were used to be irradiated in the neutron field. The 14.1 MeV neutron yield was deduced by counting the characteristic γ-rays of radioisotopes produced by five nuclear reactions [Fe(n,p)Mn, Cu(n,2n)Cu, Cu(n,2n)Cu, Al(n,α)Na, Al(n,p)Mg]. The relationship between the neutron yield and the deuteron beam energy, beam current of the D-T neutron generator was measured by the BF proportional counter and the...


A 1D Helical Chain Heterpolyniobate Templated by AsO.

A novel polyoxoniobate cluster directed by AsO, {[Cu(phen)][NbO][AsNbO]} (), has been successfully synthesized by a "two-pot" strategy, namely, the conventional aqueous solution and diffusional methods. It incorporates two {[Cu(phen)]NbO} and two {[Cu(phen)]AsNbO} subunits. Surprisingly, by changing the reaction conditions, one of the subunits {[Cu(phen)]NbO} was isolated as a guanidinium salt. These architectures were structurally characterized by single crystal X-ray diffraction, TGA, IR, elemental analys...

The structure and properties of granular cold-water-soluble starch by a NaOH/urea aqueous solution.

The NaOH/urea treatment of starch results in granular cold-water-soluble starch (GCWSS). The research indicated that the optimized condition for this treatment was aqueous solution of 14% w/v NaOH and 12% w/v urea (all dosages based on starch weight) at ambient temperature (25 °C) for 10 min with stirring. The aqueous solution was then treated a water-extraction and alcohol-precipitation method. The solid sample was dried in an oven at 60 °C. The GCWSS displayed a cold-water solubility of ~90%. The ...

Deep-Glassy Ice VI Revealed with a Combination of Neutron Spectroscopy and Diffraction.

The recent discovery of a low-temperature endotherm upon heating hydrochloric-acid doped ice VI has sparked a vivid controversy. The two competing explanations aiming to explain its origin range from a new distinct crystalline phase of ice to deep-glassy states of the well-known ice VI. Problems with the slow kinetics of deuterated phases have been raised, which we circumvent here entirely by simultaneously measuring the inelastic neutron spectra and neutron diffraction data of HO samples. These measurement...

Low-Temperature Charging and Aging Mechanisms of Si/C Composite Anodes in Li-Ion Batteries - An Operando Neutron Scattering Study.

Addition of Si compounds to graphite anodes has become an attractive way for increasing the practical specific energies in Li-ion cells. Previous studies involving Si/C anodes lack direct insight into processes happening in full cells during low temperature operation. In this study, we combined operando neutron diffraction, electrochemical tests, and post-mortem analysis as powerful tools for investigation of Li-ion cells. 18650-type cylindrical cells in two different aging states were measured via operando...

Nanometer-Scale Correlations in Aqueous Salt Solutions.

The intermediate-range (1-4 nm) correlation of cations, anions, and water in aqueous alkaline earth salt solutions is measured using synchrotron X-ray diffraction. We differentiate from the entire solution structure factor, S(Q), a separate region at low Q (< 1.5 Å) containing local diffraction maxima (pre-peaks) that indicate nanometer-scale oscillatory behavior. These features are quantitatively reproduced with classical molecular dynamics simulations. At high concentrations, the pre-peaks emerge from co...

Characterization of the neutron flux during production of F at a medical cyclotron and evaluation of the incidental neutron spectrum for neutron damage studies.

The fast neutron spectrum was measured in an irradiation position adjacent to two F (fluorine-18) production targets at a medical cyclotron. The neutron spectrum was modeled using MCNP6 and experimentally determined using activation foils. A three-group neutron spectrum was determined using an over-determined least squares fitting method. The MCNP6 model results and measurements of the activation foils were used as input to unfold the neutron spectrum using the STAYSL PNNL code. The neutron spectrum adjacen...

Water Compatible Hypophosphites- Reagents: Deuteration Reaction via Deutero-deiodination in Aqueous Solution.

Contrary to conventional deuteration approaches which typically entail deuterated solvents and/or moisture exclusion, an unprecedented deutero-deiodination reaction attainable in aqueous (HO) solution is presented herein. By utilizing the stability of inorganic deuterated calcium/sodium hypophosphites against wayward H/D isotopic exchange within pH 2.5-11.7, these shelf-stable, nontoxic, cost-effective, and environmentally benign deuteration reagents mediate deuteration of a broad range alkyl and aryl iodid...

High-power sonication of soy proteins: Hydroxyl radicals and their effects on protein structure.

High-power sonication (HPS) is shown to alter protein structure, thus, its functionality, via intermolecular interactions. This study evaluated the effects of HPS on molecular structure of soy proteins in aqueous medium. Free radicals generated during HPS were quantitated using the 5,5-dimethyl-l-pyrrolin N-oxide (DMPO) spin trap method. Electron paramagnetic resonance (EPR) was used to identify them as mostly hydroxyl radicals. The minimum saturation concentration of spin trap solution was determined to be...

IMPROVEMENT OF GAMMA-RAY SUBTRACTION PROCEDURE FOR A CURRENT-MODE NEUTRON DETECTOR WITH A PAIR OF 6Li- AND 7Li-GLASS SCINTILLATORS.

A current-mode neutron detector with a pair of 6Li- and 7Li-glass scintillators has been developed to measure high-flux neutrons in a boron neutron capture therapy field. Neutrons are basically measured by subtracting gamma-ray component using current outputs from the 7Li-glass scintillator. In the present study, the difference in the gamma-ray sensitivity between the 6Li- and 7Li-glass scintillators and the neutron sensitivity for the 7Li-glass scintillator due to the 6Li contamination were also considered...

Intertwined dipolar and multipolar order in the triangular-lattice magnet TmMgGaO.

A phase transition is often accompanied by the appearance of an order parameter and symmetry breaking. Certain magnetic materials exhibit exotic hidden-order phases, in which the order parameters are not directly accessible to conventional magnetic measurements. Thus, experimental identification and theoretical understanding of a hidden order are difficult. Here we combine neutron scattering and thermodynamic probes to study the newly discovered rare-earth triangular-lattice magnet TmMgGaO. Clear magnetic B...

Removal of trace Cr(VI) from aqueous solution by porous activated carbon balls supported by nanoscale zero-valent iron composites.

In this study, porous activated carbon balls supported by nanoscale zero-valent iron composites (Fe@PACB-700) were used for the first time for the removal of trace Cr(VI) from aqueous solutions. The Fe@PACB-700 composites were prepared by a facile carbothermal reduction method and then characterized by scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy (XPS). The results show that nZVI particles have been successfu...

Membrane Adhesion via Glycolipids Occurs for Abundant Saccharide Chemistries.

Membrane-bound oligosaccharides with specific chemistries are known to promote tight adhesion between adjacent membranes via the formation of weak saccharide bonds. However, in the literature, one can find scattered evidence that other, more abundant saccharide chemistries exhibit similar behavior. Here, the influence of various glycolipids on the interaction between adjacent membranes is systematically investigated with the help of small- and wide-angle x-ray scattering and complementary neutron diffractio...

Aqueous Batteries Operated at - 50 °C.

Insufficient ionic conductivity and freeze of electrolyte at low temperature (low-T) are considered the main problems for low-T electrochemical energy storage. Here, the electrolyte with freezing point lower than -130 ℃ is developed by using dimethyl sulfoxide (DMSO) as an additive with the molar fraction of 0.3. The 2M-0.3 electrolyte (by adding DMSO with a molar fraction of 0.3 to the aqueous solution of 2 M NaClO4) exhibits sufficient ionic conductivity of 0.11 mS cm-1 at -50 ℃. The combination of sp...

Absence of magnetic ordering in the spin liquid candidate Ca3Cu2GeV2O12.

Typically, quantum spin liquid candidates can be found in materials with a combination of geometrical frustration along with low spin. Due to its spin of S=1/2 the copper (II) ion is often present in the discussion on spin liquid candidates. The solid state compound CaCuGeVOis a material that crystallizes in the garnet structure (s.g. #230,-3), where 3-dimensional frustration is known to occur. Heat capacity has shown a lack of magnetic ordering down to 0.35 K, confirmed with low temperature neutron diffrac...

Halide-induced dissolution of lead(IV) oxide in frozen solution.

The dark dissolution behavior of plattnerite (ß-PbO) was investigated in frozen solutions containing halide ions and compared with those in aqueous solution. The amount of dissolved lead in the frozen solutions varied depending on the solution pH and the kind and concentration of halide ions. The presence of bromide and iodide ions enhanced the dissolution of lead in the aqueous phase, whereas the effect of chloride was insignificant. Compared with the aqueous phase dissolution, ß-PbO dissolution in the f...

Bond length of perchlorate at different temperatures: X-ray and neutron comparison.

The averages (average deviations from the mean are given in square brackets) of uncorrected Cl-O bond distances in a perchlorate anion from an X-ray diffraction analysis of (N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate, [Mn(CHNO)(NO)]ClO·2CHCN or [Mn(PaPy)(NO)]ClO·2CHCN, decrease from 1.447 [4] Å at 10 K to 1.428 [4] Å at 170 K. The 10 K value is close to the neutron value (1.441 [1] Å) at 18 K. Comparis...

Chloro-phosphate impregnated biochar prepared by co-precipitation for the lead, cadmium and copper synergic scavenging from aqueous solution.

This work evaluated the possibility of lead (Pb), cadmium (Cd) and copper (Cu) ions synergic scavenging by a chloro-phosphate impregnated biochar (CPBC) from aqueous solution. Adsorption experiments displayed that the adsorption capacity of heavy metals by CPBC can be improved better compared with the pristine biochar (BC). The X-ray diffraction (XRD) analysis further demonstrated that the precipitation of Pb(PO)Cl, Cd(PO)Cl and Cu(PO) might be responsible for Pb, Cd and Cu scavenging. The competitive adsor...

Superior electrochemical performance of a novel LiFePO/C/CNTs composite for aqueous rechargeable lithium-ion batteries.

Olivine LiFePO4 covered flocculent carbon layers wrapped with carbon nanotubes (CNTs) prepared by sol-gel method and calcination is used as the cathode material for aqueous rechargeable lithium-ion batteries (ARLBs). The phase structures and morphologies of the composite material are characterized by X-ray diffraction (XRD), selected area electron diffraction (SAED), and transmission electron microscopy (TEM). The mechanism and method through which CNTs and flocculent carbon improve the electrochemical perf...

Aggregation behaviors of thermo-responsive methylcellulose in water: A molecular dynamics simulation study.

The aggregation behaviors of methylcellulose (MC) in aqueous solution were investigated using all-atom molecular dynamic simulations (MD). The interactions between MC chains and water molecules at different temperatures were investigated by a series of MD analyses, such as the solvent accessible surface area, number of hydrogen bonds, radial distribution functions and the interaction energies. Constant temperature simulations and heating simulations of MC aqueous solution were carried out in this work. In t...

Neutron spectrum unfolding based on generalized regression neural networks for neutron fluence and neutron ambient dose equivalent estimations.

Neutron fluence and neutron ambient dose equivalent, H(10), are important physical quantities for neutron radiation protection and monitoring. They can be deduced from neutron spectrum, which is usually measured by multisphere system with proper unfolding methods. Novel unfolding methods on the basis of artificial intelligence, mainly artificial neural networks (ANNs), have been researched and developed. However, without normalization on network inputs, ANNs can not be applied to accommodate demands of vari...

Microemulsion-mediated preparation of Ce(MoO) nanoparticles for photocatalytic degradation of crystal violet in aqueous solution.

Preparation of Ce(MoO) nanoparticles is reported via the microemulsion method by using two different surfactants, i.e., cationic surfactant, cetyltrimethylammonium bromide (CTAB), and nonionic surfactant, Triton X-100. The water pools produced in the microemulsion systems behave as nanoreactors for reaction of the cerium (3+) and molybdate ions to produce Ce(MoO) nanoparticles. The structure and morphology of the products were characterized by using Fourier-transform infrared (FT-IR) spectroscopy, energy-di...

INVESTIGATION OF NUCLEAR EMULSIONS IN TERMS OF NEUTRON DOSIMETRY.

Neutron detection using nuclear emulsions can offer an alternative in personal dosimetry. The production of emulsions and their quality have to be well controlled with respect to their application in dosimetry. Nuclear emulsions consist mainly of gelatin and silver halide. Gelatin contains a significant amount of hydrogen, which can be used for fast neutron detection. The addition of B-10 in the emulsion is convenient for thermal neutron detection. In this paper, standard nuclear emulsions BR-2 and nuclear ...


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