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Query: KEGG:D02259 (NaI)
 1,823 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

We investigated the effects of NaF, NaCl, NaBr, and NaI on the molecular organization of H2O by a calorimetric methodology developed by us earlier. We use the third derivative quantities of G pertaining to 1-propanol (1P) in ternary 1P-a salt-H2O as a probe to elucidate the effects of a salt on H2O. We found that NaF and NaCl worked as hydration centers. The hydration numbers were 19 +/- 2 for NaF and 7.5 +/- 0.6 for NaCl. Furthermore, the bulk H2O away from the hydration shell was found unaffected by the presence of Na+, F-, and Cl-. For NaBr and NaI, in addition to the hydration to Na+, Br- and I- acted like a hydrophilic moiety such as urea. Namely, they formed a hydrogen bond to the existing H2O network and retarded the fluctuation nature of H2O. These findings were discussed with respect to the Hofmeister ranking. We suggested that more chaotropic anions Br- and I- are characterized as hydrophiles, whereas kosmotropes, F- and Cl-, are hydration centers.
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PMID:Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol. 1645 Oct 45

A unique, new stand-alone acoustic inertial confinement nuclear fusion test device was successfully tested. Experiments using four different liquid types were conducted in which bubbles were self-nucleated without the use of external neutrons. Four independent detection systems were used (i.e., a neutron track plastic detector to provide unambiguous visible records for fast neutrons, a detector, a NE-113-type liquid scintillation detector, and a NaI gamma ray detector). Statistically significant nuclear emissions were observed for deuterated benzene and acetone mixtures but not for heavy water. The measured neutron energy was <or=2.45 MeV, which is indicative of deuterium-deuterium (D-D) fusion. Neutron emission rates were in the range approximately 5x10(3) n/s to approximately 10(4) n/s and followed the inverse law dependence with distance. Control experiments did not result in statistically significant neutron or gamma ray emissions.
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PMID:Nuclear emissions during self-nucleated acoustic cavitation. 1715 98

The concentrations of the natural radionuclides (226)Ra, (232)Th and (40)K in 15 different water samples from Elba protective area, south-eastern desert of Egypt, have been determined using NaI(Tl) detector. Gamma ray spectrometric analysis was performed and the concentrations obtained for each of the radionuclides expressed in Bq l(-1) ranging from 1.6 to 11.1 for (226)Ra, 0.21 to 0.97 for (232)Th and 9.1 to 23 for (40)K. A reasonable correlation was found between (226)Ra, (232)Th concentrations and pH, although no general trend was observed with conductivity and total dissolved solids. The mean effective doses of 0.56 mSv y(-1) for (226)Ra, 0.065 mSv y(-1) for (232)Th and 0.04 mSv y(-1) for (40)K were estimated for the ingestion of these waters by adults.
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PMID:Natural radionuclides and dose estimation in natural water resources from Elba protective area, Egypt. 1649 73

Classical molecular dynamics simulations with many-body potentials were carried out to quantitatively determine the effect of NaCl salt concentration on the aqueous solvation and surface concentration of hydroxyl radicals. The potential of mean force technique was used to track the incremental free energy of the hydroxyl radical from the vapor, crossing the air-water interface into the aqueous bulk. Results showed increased NaCl salt concentration significantly enhanced hydroxyl radical solvation, which should significantly increase its accommodation on water droplets. This has been experimentally observed for ozone aqueous accommodation with increased NaI concentration, but, to our knowledge, no experimental study has probed this for hydroxyl radicals. The origin for this effect was found to be very favorable hydroxyl radical-chloride ion interactions, being stronger than those for water-chloride.
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PMID:Computational observation of enhanced solvation of the hydroxyl radical with increased NaCl concentration. 1667 94

A systematic study of the dielectric relaxation spectra of aqueous solutions of NaBr, NaI, NaNO(3), NaClO(4), and NaSCN has been made over a wide range of frequencies (0.2 < or = nu/GHz < or = 89) and solute concentrations (0.05 < or = c/M < or = 1.5) at 25 degrees C. The spectra could be adequately described by a single Cole-Cole (CC) process, symmetrically broadened relative to that of pure water. However, similar quality fits were also obtained with a three-Debye-process (3D) model consisting of a small ion-pair contribution at lower frequencies and two solvent relaxations at higher frequencies. Assuming the ions to be solvent separated, the 3D model provided estimates of their association constants and their rate constants for formation and dissociation. The bulk water relaxation times obtained from both models showed almost no dependence on the nature of the anion. Nevertheless, there were subtle differences in the concentration dependences of the relaxation times which correlated with some, but not all, of the anion properties that are believed to be relevant for explaining the anionic Hofmeister series.
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PMID:Is there an anionic Hofmeister effect on water dynamics? Dielectric spectroscopy of aqueous solutions of NaBr, NaI, NaNO3, NaClO4, and NaSCN. 1683 69

We present results from molecular dynamics simulation of aqueous solutions of alkali halide salts (NaI and NaF) at the interface with hydrophobic objects. The primary objective of this study is to investigate the structural properties of the salt solutions at the hydrophobic surface. An alkane crystal has been taken as the parent model for a hydrophobic surface. A hexagonal hole was created on it, which was half a nm deep and 2.5 nm wide. The density distributions of different species (water, anions, and cations) are studied as a function of distance from the surface. While iodide prefers the interface, the fluoride ions stay inside the bulk water region. The higher concentration of iodide ions at the interface drags sodium counterions to the interface. It also decreases the water density at the interface because of steric effects of the iodide ions. The number of contacts between the surface carbons and water decreases in the case of NaI solutions but is unchanged for NaF solutions. The orientation of the water-ion and the water-water hydrogen bond vector orientations near the interface is discussed in detail.
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PMID:Molecular dynamics simulation of aqueous NaF and NaI solutions near a hydrophobic surface. 1685 13

Recent theoretical and experimental studies have shown that polarizable anions, such as iodide and bromide, preferentially accumulate close to the surface of electrolyte solutions. This finding is in sharp contrast to the previously prevailing idea that salts are dielectrically excluded from the free water surface and opens up new avenues for research in specific salt effects. In this work, we have verified the ability of a recently introduced polarizable water model, SWM4-DP, to reproduce this behavior, by simulations of a NaI/water slab, corresponding to a 1.2 M solution. The water and ion polarizabilities are modeled by classical Drude oscillator particles. As revealed by the simulations, a double layer is formed close to the free water surface, with the iodide ions located closer to the interface and the sodium ions at a neighboring, interior layer. Near the surface, all solution species acquire an induced dipole moment, that is perpendicular to the surface and points toward the exterior. The double charge layer causes ordering of water at a subsurface region. Simulations with a simpler system of a single iodide ion in a water slab show that the surface position is stabilized by induced charge interactions; in contrast, the charge-dipole interactions between the iodide permanent charge and the water permanent dipole moment favor the bulk position. Thus, the polarizabilities of ion and water are essential for explaining the increased preference of iodide for the air-water interface, in accordance with other studies.
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PMID:Attraction of iodide ions by the free water surface, revealed by simulations with a polarizable force field based on Drude oscillators. 1685 5

The interaction of NaI with amorphous solid water (ASW) and methanol (MeOH) has been investigated with metastable impact electron spectroscopy (MIES), UPS(HeI), and temperature programmed desorption (TPD). We have studied the electron emission from the ionization of the highest-lying states of H(2)O, CH(3)OH, and of 5pI. We have prepared NaI layers on ASW (MeOH) films at about 105 K and annealed them up to about 200 K. Surface segregation of iodide is observed in ASW, as predicted for NaI aqueous solutions. On the other hand, surface segregation is not observed in MeOH, again as predicted for the interaction of NaI with liquid methanol. Electronic properties (ionization potentials, optical band gaps) and water binding energies are reported and are analyzed on the basis of available DFT results for hydrated NaI clusters.
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PMID:Interaction of NaI with solid water and methanol. 1692 6

The binding ability of a chiral L-cysteinato cobalt(III) complex, [Co(L-cys-N,S)(en)2]+ (l-H2cys = L-cysteine, en = ethylenediamine), toward a cadmium(II) center, together with the construction of S-bridged CoIIICdII structures that are controlled by anions and pH, is reported. The reaction of Lambda(L)-[Co(L-Hcys-N,S)(en)2](ClO4)2 having a pendent COOH group with CdCl2 in a 1:1 ratio in water, followed by the addition of NaCl, gave an S-bridged CoIIICdII dinuclear complex, Lambda(L)-[CdCl4{Co(L-Hcys-N,S)(en)2}] (1Cl), in which a cadmium(II) ion is weakly coordinated by a thiolato group from a Lambda(L)-[Co(L-Hcys-N,S)(en)2]2+ unit, besides four Cl- anions. The corresponding 1:1 reaction with CdBr2 and NaBr yielded an S-bridged CoIIICdIICoIII trinuclear complex composed of an S-bridged CoIIICdIICoIII trinuclear cation and a [CdBr4]2- anion, (Lambda(L))2-[CdBr3{Co(L-Hcys-N,S)(en)2}{Co(L-cys-N,S)(en)2} ][CdBr4] (2), while a CoIIICdII dinuclear complex analogous to 1Cl, Lambda(L)-[CdBr4{Co(L-Hcys-N,S)(en)2}] (1Br), was obtained by the addition of HBr instead of NaBr. In the CoIIICdIICoIII cation of 2, a CdII center is very weakly coordinated by two thiolato groups from Lambda(L)-[Co(L-Hcys-N,S)(en)2]2+ and Lambda(L)-[Co(L-cys-N,S)(en)2]+ units, besides three Br- anions, with the trinuclear structure being sustained by an intramolecular COOH...OOC hydrogen bond. On the other hand, no S-bridged structure was obtained by the corresponding 1:1 reaction with CdI2 and NaI, giving only a mononuclear CoIII species with a [CdI4]2- counteranion, Lambda(L)-[Co(L-Hcys-N,S)(en)2][CdI4] (3). When Lambda(L)-[Co(L-cys-N,S)(en)2]ClO4 having a deprotonated pendent COO- group was reacted with CdCl2 in a 1:1 ratio in water, followed by the addition of NaCl, a one-dimensional (CoIIICdII)n polymeric complex, (Lambda(L))n-[CdCl3{Co(L-cys-N,S)(en)2}]n (4Cl), in which Lambda(L)-[Co(L-cys-N,S)(en)2]+ units are alternately linked by [CdCl3]- moieties through thiolato and carboxylate groups, was constructed. An analogous (CoIIICdII)n polymeric structure having [Cd(NCS-N)3]- moieties, (Lambda(L))n-[Cd(NCS-N)3{Co(L-cys-N,S)(en)2}]n (4NCS), was also produced by the use of Cd(ClO4)2 and NaSCN.
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PMID:Controlled binding of a L-cysteinato cobalt(III) octahedron to a cadmium(II) center. 1729 Nov 21

In the temperature-composition phase diagram of the nonionic surfactant n-octyl-hydroxypenta(oxyethylene), C(8)E(5), there are three principal curves; the one for the critical micelle concentration (cmc), the one delineating the existence of the hexagonal phase, and then the lower consolute boundary (lcb). In this work it is clarified how the presence of the alkali halides NaF, LiCl, NaCl, NaBr and NaI in the aqueous solutions, up to high molalities, change the lcb temperature-position and shape. The lcbs are obtained from measurements of cloud-point temperatures. Rather marked anion-controlled shifts are observed in the boundary temperature-position, and the order of the anions is in accordance with the prediction of the Hofmeister series. Also the shape of the boundary is affected in an anion-specific way, so that the largest changes are found with the strongest salting-out agent. The separation point varies in distinctly non-linear manners with the molality of the studied alkali halides. An approach is presented that can reproduce the effects of the alkali halides on the cloud-point temperature of C(8)E(5) and a poly(ethylene oxide) polymer, at low amounts of the macroentities. In this approach use is made of the known behaviour of the electrolytes at the air/water surface and the virial expansion, to account for the initial salting-out/-in effect and the variation of the effect with electrolyte molality.
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PMID:Lower consolute boundaries of the nonionic surfactant C8E5 in aqueous alkali halide solutions: an approach to reproduce the effects of alkali halides on the cloud-point temperature. 1730 88


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