The shrinkage of the cement paste with low water-cement ratio at different relative humidity was observed and analyzed with ESEM and deformation map technique. The crack morphology was observed with different magnification with SEM and FESEM, and the formation of the crack was observed with AFM between two C-S-H nano particles. The observation by multi technique at multi scale indicated that the shrinkage was increase with the decrease of the humidity due to the increase of the pressure of the capillary pressure, the morphology of the crack in smaller scale was similar to that in the bigger scale, the smaller crack distributed in the latticework of the bigger ones, and the crack propagated along the gap between two nano particles of C-S-H with weaker bonding.
Three bonding agents were evaluated to determine which were most effective in enhancing the bond of resin composite to stainless steel. A light-activated resin composite was bonded to a total of 60 stainless steel specimens using Panavia, Cover-Up, or Silicoating. Tensile bond strength measurements revealed that all three agents provide a satisfactory means of increasing adherence of the esthetic veneer without decreasing bonding through thermocycling of the specimens. Panavia and Cover-Up were significantly more effective than Silicoating and appear to be easier to use. PMID:8297460
Computer-Aided Prediction of Chemical Ecotoxicity on the basis of Quantitative Structure-Activity Relationships with the Use of Physico-Chemical Descriptors, Including H-bond Parameters
Research activity during the 1991--1992 funding period has been concerned with the following topics relevant to carbon monoxide activation. (1) Exploratory studies of water gas shift catalysts heterogenized on polystyrene based polymers. (2) Mechanistic investigation of the nucleophilic activation of CO in metal carbonyl clusters. (3) Application of fast reaction techniques to prepare and to investigate reactive organometallic intermediates relevant to the activation of hydrocarbons toward carbonylation and to the formation of carbon-carbon bonds via the migratory insertion of CO into metal alkyl bonds.
Research activity during the 1991--1992 funding period has been concerned with the following topics relevant to carbon monoxide activation. (1) Exploratory studies of water gas shift catalysts heterogenized on polystyrene based polymers. (2) Mechanistic investigation of the nucleophilic activation of CO in metal carbonyl clusters. (3) Application of fast reaction techniques to prepare and to investigate reactive organometallic intermediates relevant to the activation of hydrocarbons toward carbonylation and to the formation of carbon-carbon bonds via the migratory insertion of CO into metal alkyl bonds.
With its 527 217 m{sup 3} of low and medium activity wastes put in storage between 1969 and 1994, the C.S.M.( center of storage of Manche) is and remains to this day a necessary element to understand the problems posed by the eternal storage of nuclear materials and the limits of the notion of reversibility. There are therefore teachings to be drawn. We cannot repeat past mistakes in particular with high activity wastes which we wish to bury deep underground. This report is based on the analysis of the existing bibliography, of the internal A.N.D.R.A. documents which we released to the public, of the lessons drawn from our participation in the official concerting and work groups, and finally of the data obtained after inquiries were done in the region in the framework of R.I.V.I.E;R.E. (citizens network of radioecological surveillance, information and evaluation). In spite of all efforts produced, many questions remain ...
The Balandin type volcano plots have been considered for the main criterion both in catalysis and electrocatalysis to estimate their fundamental properties and optimal activity: ({alpha}) The ones, when some physical feature or catalytic activity itself is plotted usually along transition series, and ({beta}) The others, when catalytic activity arises as a function of some energetic property, the most usually of the adsorption enthalpy of intermediates bonding upon the substrate in the rate determining step (rds). 29 refs.
The results of Independent Energy's Financial Rankings survey for 1992 as well as the second half of 1992 showed increased activity in almost every category. In stronger showing was evident in all categories except corporate finance and revenue bonds. The total amount of project finance equity and debt, corporate finance and revenue bonds reported in 1992 was nearly $16 billion - up 45% from what was reported in 1991.
The photoelectron resonance capture ionization (PERCI) of cysteine (Cys) and small gas-phase neutral peptides that contain the Cys residue (Cys-Gly, g-Glu-Cys, and glutathione (g-Glu-Cys-Gly)) is reported. At an ionization energy less than 1eV two types of dissociative electron attachment ionization were observed for Cys: hydrogen atom loss, resulting in formation of the ion [Cys-H]-, and dissociation of the CH2-SH bond, resulting in formation of the ion [SH]-. The presence of these ions suggests that both the p*(-CO2H) and *(C-S) orbitals can act as low energy electrophores on Cys. This ionization trend was observed for the dipeptides Cys-Gly and g-Glu-Cys as well as glutathione, with evidence that dissociation of the CH2-SH bond in these peptides can also result in ions of the form [M-SH...
The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and {sup 27}Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue-lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud coal gangue-lime systems at ambient temperature are essentially aluminous C-S-H and Ca{sub 3}Al{sub 2}O{sub 6} center dot xH{sub 2}O. From TG analysis results, it is thought that the high amount of Ca(OH){sub 2} in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest. {sup 27}Al MAS NMR proved to be an effective technique ...
The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and 27Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue - lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud-coal gangue - lime systems at ambient temperature are essentially aluminous C-S-H and Ca3Al2O6.xH2O. From TG analysis results, it is thought that the high amount of Ca(OH)2 in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest, 27Al MAS NMR proved to be an effective technique to obtain valuable information of Al[4] in ...
Applying the thermochemical selectivity criterion of Hadnett et al. It is shown that the selectivity of the furan formation is not limited by a too low strength of the C-H bonds in furan when compared with the C-H bond dissociation energy in the educt molecule butadiene. In the oxidation of butadiene on a CsH{sub 2}PMo{sub 12}O{sub 40} catalyst a maximum yield of 22 mol% furan has been obtained. To improve this comparatively low furan yield oxidation activity of the catalyst must be lowered to prevent the consecutive reaction to maleic anhydride. (orig.)
One of our research objectives is to develop chemistry of transition metal chalcogenides which are relevant to new inorganic materials, environmental catalysts, metalloenzymes. In this context, this research project has been aimed at rational syntheses of chalcogenide complexes of electron-deficient transition metals, construction of hetero metallic clusters with high nuclearity, and elucidation of chemical properties characteristic of these metal chalcogenide compounds. We were successful in synthesizing a series of sulfide (selenide)/thiolate complexes of group 4,5 and 6 transition metal elements by making use of C-Sbond cleaving reactions and anhydrous chalcogenide reagents. We also achieved construction of unprecedented large chalcogenide clusters of mixed metal systems such as [Cu{sub 4}(dppm){sub 4}MS{sub 4}] [PF{sub 6}]{sub 2} (M=Mo, W), [(Cp*WS{sub 3}Ag{sub 2}){sub 2}({mu}-Br){sub 2}]{sub {infinity}}, and [Cp*{sub 2}Mo{sub 2}Fe{sub ...
The high resolution absorption, luminescence and excitation spectra of the orthorhombic potassium lanthanum praseodymium ternary chloride, K_2La_1_-_xPr_xCl_5, (0.02 #<=# x #<=# 0.15) single crystals were recorded at 4, 77 and 293 K with different excitation sources. The experimental 4f"2 energy level scheme of the Pr"3"+ ion in K_2LaCl_5 derived from the absorption and emission spectra consisted of 86 (out of 91) Stark components. This energy level scheme was simulated by using a phenomenological crystal field (cf) model which included eight free ion and nine cf parameters according to the C_2_v symmetry. Despite the approximate C_2_v point symmetry instead of the real C_s one, the simulation yielded a very satisfactory rms deviation of 17 cm"-"1 between the experimental and calculated energy level schemes. The results, especially the weak cf strength, are discussed taking into account the bonding characteristics in K_2LaCl_5.
We have demonstrated in this work (1) that methane is readily activated at mild conditions (100{degree}C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO{sub 2} over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength ...
We have demonstrated in this work (1) that methane is readily activated at mild conditions (100[degree]C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO[sub 2] over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength ...
A steadily increasing part of comminution is nowadays carried out by tube ball mills. Our investigations are a first step to a possible tuning of material distribution with mechanical stress characteristic of the grinding media charge, that is essential for a high efficiency of grinding. A BOND mill filled with porcelain balls as grinding media and labelled corundum (Au-198) as grinding material was used to measure the distribution of material over the cross-section. The evaluation was made by linear interpolation between all combinations of adjacent measuring points to calculate all coordinates with equal intensity for each selected level of activity. Two plottings showing the dependence of material distribution on the rotating speed are presented. (author).
In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.
Environmental surveillance and public information are translated in 2000 by numerous actions. To improve the public information, A.C.R.O. concerns its main efforts on the development of the consumer technical information available on-line via its web site and in its regular publication 'the nuclear chronicle'. A new publication, the A.C.R.O. journal is made to answer to more acute questions as waste burying. Besides, the participation of the A.C.R.O. at various local commissions of information (C.L.I.) as well as at the superior council of the safety and nuclear information ( C.S.S.I.N.) stays an essential action. (N.C.)
This study focuses on a series of Pt{sup II}(L-L{prime})(dppm){sup n+} complexes, where dppm is bis(diphenylphosphino)methane and L-L{prime} are C(caret)C{prime} (n = 0), C(caret)N (n = 1), and N(caret)N{prime} (n = 2) aromatic ligands. Structural characteristics are reported. Structural features indicate that the Pt-C bond distance is shorter than the Pt-N bond distance in symmetrical complexes and that the Pt-P bond distance trans to N is shorter than the Pt-P bond trans to C. This is consistent with the {sup 31}P NMR spectra where the chemical shift of the P trans to C is {approximately}10 ppm less than found for P trans to N. The energy maxima of the metal-to-ligand charge-transfer band for the complexes containing various L-L{prime} ligands occur in the near-UV region of the spectrum and fall into the energy series bpy > bph > phen > 2-phpy > 2-ptpy > 2-phq ...
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
We have prepared a series of novel gemini surfactants having ester bonds in their structures. These surfactants possess two identical hydrophilic polyethylene glycol moieties, two hydrophobic alkyl group moieties, and an anionic spacer. The structures of these compounds were confirmed through infrared and nuclear magnetic resonance spectroscopic and elemental analyses. The novel gemini surfactants exhibit excellent surface activity in terms of their surface tension, low-foaming, wetting power, and fluorescence properties. The presence of the ester linkages made these structures cleavable surfactants.
Thin films of La{sub 0.6}Ca{sub 0.4}CoO{sub 3} perovskite were deposited on nickel plates by thermal decomposition of the metal nitrates. The electrochemical activity of the films for oxygen evolution in KOH solutions (0.1-1 M) was investigated. The reaction order with respect to OH{sup -} ion was found to be around 0.7. The results correlate fairly well with a mechanism in which breaking of the intermediate metal-peroxide bond at the Co ion is the rate-determining step. (author) 4 figs., 4 refs.
Abstract Hydrogen bonding interactions between amino acids and nucleic acid bases constitute the most important interactions responsible for the specificity of protein binding. In this study, complexes formed by hydrogen bonding interactions between cysteine and thymine have been studied by density functional theory. The relevant geometries, energies, and IR characteristics of hydrogen bonds (H-bonds) have been systematically investigated. The quantum theory of atoms in molecule and natural bond orbital analysis have also been applied to understand the nature of the hydrogen bonding interactions in complexes. More than 10 kinds of H-bonds including intra- and intermolecular H-bonds have been found in complexes. Most of intermolecular H-bonds involve O (or N) atom as H-acceptor, whereas the...
Under appropriate conditions, bismuth molybdates can catalyze a number of transformations of olefins with selective oxidation being of particular importance. Experimental evidence suggests that the propylene is activated to an allylic species by a site associated with the Bi and that the oxidation step occurs at an Mo site. In order to address the mechanistic steps associated with these Mo sites. The authors discuss the chemistry of terminal oxo and imido groups. They find that for surface sites such as 1 about, 2 about and 3 about, the presence of two double bonds leads to a much more active species than those with a single multiple bond. This leads to a situation similar to that in olefin metathesis by high oxidation state Mo catalysis where the (spectator) oxo group species promotes formation of the metallacycle intermediate by formation of a partial Mo==O triple bond that ...
The aim of this work is to test the catalytic oxidation of pyridine over zeolite-supported catalysts and to compare the difference in their activities for the oxidation of pyridine. The catalytic oxidation of pyridine pollutant on a series of copper-supported catalysts, inclusive of Cu/beta, Cu/ZSM-5, Cu/MCM-41 and Cu/{gamma}-Al{sub 2}O{sub 3}, in the presence of excess oxygen was studied. The activity of the copper-supported catalysts for the pyridine oxidation could be correlated with the binding energy of oxygen coordinated to metal copper, while the ability to control the yield of NO{sub x} appeared to be strongly dependent on the binding energy of NO bonded to metal copper. On these catalysts, two copper species, Cu(H{sub 2}O){sub 6}{sup 2+} ions and CuO were identified, in which Cu{sup 2+} ions had higher activity for the NO{sub x} control but poorer activity for the pyridine ...
In the frame of the European Technology R and D programme for International thermonuclear experimental reactor (ITER) and in the area of high heat flux plasma facing components (HHFC), representative small-scale mock-ups were manufactured and tested to compare different concepts and joining technologies (i.e. active brazing, hot isostatic pressing (HIPping), diffusion bonding, etc.). On the basis of the results obtained by thermal fatigue tests, the monoblock concept resulted to be the most robust one, particularly when the HIPping manufacturing technology is used. Within this programme, ENEA developed an alternative technique for manufacturing plasma-facing components with a monoblock geometry of the ITER machine. The basic idea of this technique, named hot radial pressing (HRP), is to perform a radial diffusion bonding between the cooling tube and the armour tile by pressurising the internal tube only and by keeping the ...
Two manufacturing processes have been developed for fabricating PLZT bonded lens assemblies (BLA's) for the USAF EEU-2/P Thermal/Flash Protective Goggle. One process utilizes thin Sylgard spacers which remain in the BLA to establish bond thickness between...
A synthetic strategy for constructing ionic hydrogen-bonded materials by combining perhalometallate anions with cations able to serve as hydrogen bond donors is presented. The approach is based on identification...Full Text Available
...2010-10-01 false Who must post a geothermal bond? 3214.10 Section 3214...MINERALS MANAGEMENT (3000) GEOTHERMAL RESOURCE LEASING Personal and... § 3214.10 Who must post a geothermal bond? (a) The lessee...
There are many factors affecting diffusion bonding in order to obtain high quality joining. Therefore, in the beginning, we constructed diffusion bonding model based on void growth mechanism to predict bonding pressures and times. In addition, in order to compare theoretical values with experimental values, diffusion bonding tests were carried out by using commercial AZ31 magnesium alloy sheets with different grain sizes, 16 and 130 {mu}m. The present AZ31 alloys were successfully diffusion bonded at several conditions, and the bonding strength was more than 0.8 of each parent materials. The experimental bonding conditions in high quality joining, times and pressures, were good agreed with prediction analysis. (orig.)
... content of the environment) are significant factors affecting the useful service life of adhesive bonded plastic composite sandwich panels at 650 F ...
Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. Our approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. Our current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. Oxide catalysis can be a complex process with both metal cation and oxygen anions participating in ...
The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O_2. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state. (author).
Premnalatifolin A (1), a unique icetexane diterpene dimer was isolated from the stem-bark of Indian medicinal plant, Premna latifolia. Its structure and relative stereochemistry were elucidated on the basis of detailed spectroscopic analysis, including HRESIMS and 2D NMR (COSY, HSQC, HMBC, and NOESY) spectra. The compound has dimeric carbon skeleton composed of two icetexane skeletal diterpenes linked via ether bond. Further, premnalatifolin A (1) was also evaluated for its cytotoxicity against cancer cell lines (HT-29, A-431, MCF-7, Hep-G2, PC-3, A-549, B-16 F10, and ACHN), which displayed potent activity against HT-29 and MCF-7 cell lines with the IC50 values of 12.15 and 1.11mg/mL, respectively.
The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O/sub 2/. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state.
The kinetic rate constants for the cracking, isomerization, and disproportionation of n-heptane over a CrHNaY (32% chromium exchanged) zeolite catalyst at 400, 450, and 470/sup 0/C have been calculated. The interaction of n-heptane with a model Lewis acid such as BF/sub 3/ and progress along the reaction coordinate have been studied by means of molecular orbital calculations. From the kinetic results, i.e., activation energies and frequency factors, and the theoretical calculations, it can be concluded that the controlling step in these reactions is not the formation of the carbonium ion, but the subsequent transformation of this carbonium ion. In addition, the theoretical calculations show that the attack of a Lewis acid is more likely to occur on a carbon atom than on a C-H bond.
The proposed active sites on the catalyst surface in heterogeneous propylene ammoxidation have been successfully modelled by structurally characterized pinacolato W(VI) tert-butylimido complexes. These compounds exist as an equilibrating mixture of amine-bis(imido) and imido-bis(amido) complexes, the position of this equilibrium is dependent on the electronic nature of the glycolate ligand. Both of the C-N bond-forming reactions proposed in recent studies by Grasselli et al. (1) have been reproduced using discrete Group VI d{sup 0} organoimido complexes under mild conditions suitable for detailed mechanistic studies. These reactions are: (1) oxidative trapping of radicals at molybdenum imido sites, and (2) migration of the allyl group from oxygen to an imido nitrogen atom.
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 ...
Using carbon-paste-CuFeS{sub 2} electrodes and a cyclic voltammetric technique, it was found that a large number of intermediate electrochemical oxidation reactions were associated with the dissolution of chalcopyrite in presence and absence of bacteria. The effects of concentrations of copper, ferrous and ferric ions, as well as of agitation on the peaks of cyclic voltammograms were measured. It was established that chalcopyrite oxidation was solid-state controlled as suggested by the data of chronopotentiometric and chronoamperometric measurements. The activation energy of solid state diffusion of chalcopyrite leaching was determined by the Sand's method to be {triangle}E{sub a} = 20.5 kJ. The leaching mechanism is discussed in terms of solid-state properties (energy bonding) of the n-type semiconductor chalcopyrite and energy density states of redox systems of acidic bacterial leach media. A generalized model for the mechanism of ...
Pitch-based short carbon fibers (CFs) were treated by air oxidation and cryogenic nitrogen, respectively. Thereafter the treated and untreated CFs were incorporated into polyimide (PI) matrix to form composites. The CFs before and after treatment were examined by XPS and SEM.The flexural strength of the specimen was determined in a three-point test machine and the tribological properties of PI composites sliding against GCr15 steel rings were evaluated on an M-2000 model ring-on-block test rig. The results show that the surface of the treated CFs became rougher. Lots of active groups formed on the CF surface after air oxidation.The treatment can effectively improve the mechanical and tribological properties in their PI composites due to the enhanced fiber-matrix interfacial bonding. Copyri...
In this work, we investigated self-heating related instability in polysilicon thin film transistors (poly-Si TFTs) fabricated on polyimide (PI) substrates. Indeed, when Joule heating becomes relevant, the temperature of the active layer can substantially rise, since the devices are fabricated on thermally insulating substrates. As a result, electrical instability is triggered and attributed to the generation of interface states, due to the Si-H bond breaking, and charge trapping into the gate insulator. In addition, by using 3-dimensional numerical simulations, coupling the thermodynamic and transport models, we analyzed the temperature distribution of the device under operating conditions and found that self-heating is more severe for devices fabricated on plastic substrates.
A predictive reactivity of Cp_2An(IV)Me_2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclo-metalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate. (authors)
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 ...
Adenine DNA glycosylase catalyzes the glycolytic removal of adenine from the promutagenic A {center_dot} oxoG base pair in DNA. The general features of DNA recognition by an adenine DNA glycosylase, Bacillus stearothermophilus MutY, have previously been revealed via the X-ray structure of a catalytically inactive mutant protein bound to an A:oxoG-containing DNA duplex. Although the structure revealed the substrate adenine to be, as expected, extruded from the DNA helix and inserted into an extrahelical active site pocket on the enzyme, the substrate adenine engaged in no direct contacts with active site residues. This feature was paradoxical, because other glycosylases have been observed to engage their substrates primarily through direct contacts. The lack of direct contacts in the case of MutY suggested that either MutY uses a distinctive logic for substrate recognition or that the X-ray structure had captured a noncatalytically competent ...
The inhibitory activity of chicken and crocodilian ovomacroglobulins against trypsin was measured before and after their incubation with methylamine. The result for crocodilian ovomacroglobulin showed that methylamine treatment destroyed half of its activity, in unique contrast to human alpha 2-macroglobulin and chicken ovomacroglobulin for which methylamine either destroys the inhibitory activity of the former completely or does not affect that of the latter at all. Free sulfhydryl groups of chicken and crocodilian ovomacroglobulins were titrated with 5,5'-dithiobis(2-nitrobenzoic acid) before and after incubation with trypsin. Prior to the incubation with trypsin the chicken and crocodilian proteins respectively had 0 and 1 titratable sulfhydryl per molecule of Mr 720,000. After treatment with trypsin the crocodilian protein had 3.5-4 titratable sulfhydryls, whereas there were no titratable sulfhydryls in the ...
The synthesis and structure-activity relationship analysis of a novel class of amide-based biaryl NR2B-selective NMDA receptor antagonists are presented. Some of the studied compounds are potent, selective, non-competitive, and voltage-independent antagonists of NR2B-containing NMDA receptors. Like the founding member of this class of antagonists (ifenprodil), several interesting compounds of the series bind to the amino terminal domain of the NR2B subunit to inhibit function. Analogue potency is modulated by linker length, flexibility, and hydrogen bonding opportunities. However, unlike previously described classes of NR2B-selective NMDA antagonists that exhibit off-target activity at a variety of monoamine receptors, the compounds described herein show much diminished effects against the...
The fission gas xenon bonded in bubbles, in pore, and in the lattice of mixed carbide fuels is measured by electron-probe microanalysis. Radial xenon distribution and release curves are determined and are calibrated by gas chromatography of the bonded fission gas and by burnup analysis in the respective pin sections of the irradiation experiments FR2 6A and 6C, Mol 11/K 2, and DFR 330/1. The results are correlated to the microstructure of the fuel, bonding medium, temperature, and burnup. (Auth.).
Carbide ceramics such as boron carbide due to their unique properties such as low density, high refractoriness, and high strength to weight ratio have many applications in different industries. This study focuses on direct bonding of boron carbide for high temperature applications using nickel interlayer. The process variables such as bonding time, temperature, and pressure have been investigated. The microstructure of the joint area was studied using electron scanning microscope technique. At all the bonding temperatures ranging from 1150 to 1300degC a reaction layer formed across the ceramic/metal interface. The thickness of the reaction layer increased by increasing temperature. The strength of the bonded samples was measured using shear testing method. The highest strength value obtained was about 100 MPa and belonged to the samples bonded at 1250 for 75 min ...
Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...
The superplastic characteristics and diffusion bonding behaviors were investigated in commercial 7475 aluminum alloy and AZ31 magnesium alloy sheets. In this study, the presently used materials behaved in a superplastic manner at {proportional_to} 773 K (7475Al) and {proportional_to} 523 K (AZ31). Then, by the theoretical relationship between pressure and time, these materials were successfully diffusion bonded at the superplastic temperatures. The bonding strength was more than 65 MPa. The experimental bonding conditions in high quality joining, times and pressures, were good agreed with prediction analysis. (orig.)
This report presents the results of cladding technology development under the Coal-Fired Combined Cycle DOE Project. Clad Alloy Development, involved the selection, fabrication and burner rig evaluation of advanced clad alloy composition diffusion-bonded to IN-738. Testing was conducted for up to 5800 hours at 1600/sup 0/F in a simulated PFB environment. Metallographic evaluation showed Co-base cladding alloys PFB-5PM and PFB-6PM (aluminided) and Fe-base alloy GE-2541 to be the most corrosion resistant. The formability and fabricability of sheet material was significantly improved for these alloys by utilizing powder metallurgy techniques. Clad Process Development encompassed processing activities to evaluate sheet alloy formability, bucket surface preparation techniques, platform clad forming, and the activated diffusion bonding (ADB) of corrosion resistant tips to MS5001 buckets. The main focus, ...
This report presents the results of cladding technology development under the Coal-Fired Combined Cycle DOE Project for the period July 1976 through June 1978. Sub-task 3.1, Clad Alloy Development, involved the selection, fabrication and burner rig evaluation of advanced clad alloy compositions diffusion-bonded to IN-738. Testing was conducted for up to 5800 hours at 1600/sup 0/F in a simulated PFB environment. Metallographic evaluation showed Co-base cladding alloys PFB-5PM and PFB-6PM (aluminided) and Fe-base alloy GE-2541 to be the most corrosion resistant. The formability and fabricability of sheet material was significantly improved for these alloys by utilizing powder metallurgy techniques. Sub-task 3.2, Clad Process Development, encompassed processing activities to evaluate sheet alloy formability, bucket surface preparation techniques, platform clad forming, and the activated diffusion bonding ...
Here we describe the use of low energy plasma immersion with active screen as a convenient approach for polypropylene (PP) surface modification. Employing a stainless steel cathodic cage coated with carbon in order to prevent the sputtering of iron from the grid and its deposition onto the polymer sample, the physical chemical properties of PP surface could be effectively modified through the plasma-induced incorporation/formation of nitrogen- and oxygen-containing species. The areal densities of these elements depended on the plasma excitation source, as determined by Rutherford backscattering spectrometry (RBS). Newly formed C-O, C-N, and C=O/O=C-O/N-C=O bonds along with C-C linkages from the PP backbone were identified at the near surface region of the specimens by X-ray photoelectron spectroscopy (XPS). The insertion of such polar reactive functionalities was further confirmed by a substantial decrease in the water contact angle upon plasma ...
Examination of a chloroform extract of Dracaena loureiri Gagnep (Agavaceae), a Thia medicinal plant possessing antibacterial activity, has led to the isolation of fifteen flavenoids. The biogenic relationships among these flavenoids isolated were briefly discussed. Definition of the skeleton and the unambiguous assignment of all of the protons of the isolates was achieved through extensive 2D-homonuclear chemical shift correlation, nuclear Overhauser effect (NOE) difference spectroscopy and 2D-NOE experiments. The {sup 1}H and {sup 13}C NMR spectra of staurosporine, a potent biologically active agent from Streptomyces staurosporeus, were unambiguously assigned by using 2D homonuclear chemical shift correlation, NOE, {sup 1}H-detected heteronuclear multiple-quantum coherence via direct coupling and via multiple-bond coupling for resonance assignments of protonated and nonprotonated carbons, respectively. S. Staurosporeus was ...
This paper presents the present status of R and D activities on plasma facing components for fusion reactors, such as International Thermonuclear Experimental Reactor (ITER) and fusion demonstration reactor (DEMO). The plasma facing components (PFCs) as typified by divertor and first wall components are subjected to high heat flux and particle flux from fusion plasma. It is essential for these components to have sufficient heat removal capability and robust structure against those loadings. JAEA has been carried out to develop the ITER-PFCs which consist of copper alloys and armor materials with high thermal conductivity, such as carbon fiber composites, tungsten and beryllium. The demonstration of the thermomechanical performance of the ITER-PFCs by using mock-ups has successfully been made under close mutual cooperation between the participant countries of ITER. Currently, the activity on the development of the ITER-PFCs is in a qualification ...
A novel adhesive for carbon materials composed of phenol-formaldehyde resin, boron carbide and fumed silica, was prepared. The adhesive property of graphite joints bonded by the above adhesive treated at high-temperatures was tested. Results showed that the adhesive was found to have outstanding high-temperature bonding properties for graphite. The adhesive structure was dense and uniform even after the graphite joints were heat-treated at 1500 deg. C. Bonding strength was 17.1 MPa. The evolution of adhesive structure was investigated. The results indicated that the addition of the secondary additive, fumed silica, improved the bonding performance greatly. Borosilicate phase with better stability was formed during the heat-treatment process, and the volume shrinkage was restrained effectively, which was responsible for the satisfactory high-temperature bonding performance of ...
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 ...
For the first time in scientific literature, in our joint work with Dr. G. Ladwig in 1978 it was established phase portraite of the oxide vanadium-phosphorus system within wide range of P/V ratios from 0.5 to 3.2. Some later those data were confirmed. By investigation of the properties of individual vanadium-phosphorus phases it was also shown that the active component of such catalysts in n-butane oxidation was vanadyl pyrophosphate phase (VO){sub 2}Pr{sub 2}O{sub 7}. From then the conclusion has been evidenced by numerous publications and at present it has been out of doubt practically all over the world. It was hypothized that the unique properties of (VO){sub 2}P{sub 2}O{sub 7} in the reaction of n-butane oxidation could be explained by the presence of paired vanadyl groups and nearness of the distances between neighbouring vanadyl pairs and that between the first and fourth carbon atoms in n-butane molecule. The molecule activation occured ...
FT-IR spectra of the products obtained in each step of the tetramethyltin (TMT)/3-wt.% Re_2O_7/Al_2O_3-SiO_2 and TMT/Al_2O_3-SiO_2 system preparation are presented and discussed. The obtained spectra show that TMT reacts with alumina-silica hydroxyl groups already at room temperature, yielding surface methyltin compounds; NH_4ReO_4 reacts with alumina-silica surface at temperatures up to 423 K, yielding rhenium surface species and ammonia, which is strongly bonded by acidic sites of the Broensted kind. FT-IR spectrum of the system (TMT)/3-wt.% Re_2O_7/Al_2O_3-SiO_2 indicated the absence of surface methyl tin compounds observed on the surface system TMT/Al_2O_3-SiO_2 , and the presence of physically adsorbed TMT; after 5 h of evacuation of the TMT/3-wt.% Re_2O_7/Al_2O_3-SiO_2 system, the FT-IR spectrum indicated the presence of only a single band at 2977 cm"-"1, which may be assigned to the C-H bond stretching of the methyl group in the surface ...
This paper introduces the JNM Special Issue on the development of a first wall for the reaction chamber in a laser fusion power plant. In this approach to fusion energy a spherical target is injected into a large chamber and heated to fusion burn by an array of lasers. The target emissions are absorbed by the wall and encapsulating blanket, and the resulting heat converted into electricity. The bulk of the energy deposited in the first wall is in the form of X-rays (1.0-100 keV) and ions (0.1-4 MeV). In order to have a practical power plant, the first wall must be resistant to these emissions and suffer virtually no erosion on each shot. A wall candidate based on tungsten armor bonded to a low activation ferritic steel substrate has been chosen as the initial system to be studied. The choice was based on the vast experience with these materials in a nuclear environment and the ability to address most of the key remaining issues with existing ...
As regards the environmental protection, the A.C.R.O. maintained in 2001 its programs of surveillance around the main western nuclear installations of France. The radioecological surveillance of the site of Cogema La-Hague for the dismantling of the former pipe of release in sea was one of the key points of this action environmental surveillance. The two accidents of atmospheric release in may and october 2001 at Cogema La Hague have shown the interest of an association as A.C.R.O.. It is thank to the measure, by our laboratory, of repercussions on environment of these incidents that it has been possible to bring to light a dysfunction of the measurement system of the gaseous effluents released by the facility operator. To improve the public information, A.C.R.O. concerns its main efforts on the development of the consumer technical information available on-line via its web site and in its regular publication 'the nuclear chronicle'. Besides, the participation of the ...
The local density functional theory is used to study the electrical levels and thermal stabilities of complexes of interstitial boron with O and C and a boron dimer with H. The energy levels of these defects are compared with those found from deep level transient capacitance spectroscopy experiments on irradiated p-Si containing B. The levels observed at E_c-0.23, E_v+0.29, and E_v+0.51 eV are assigned to B_iO_i, B_iC_s, and B_iB_sH_i respectively. B_iC_s is passivated by one H atom. Evidence for the existence of B_iC_s has implications for mechanisms involved in the suppression of transient-enhanced diffusion of boron in ion-implanted Si by C.
If (S,h) is an open book with disconnected binding then we can form a new open book (S',h') by capping off one of the boundary components of S with a disk. We define a U-equivariant map on Heegaard Floer homology which sends c^+(S',h') to c^+(S,h), and we discuss various applications. In particular, we compute the 3-dimensional invariant associated to any contact structure with non-vanishing contact invariant which is compatible with a genus one open book with periodic monodromy.
This paper is concerned with methods of limiting the build-up of transient voltages between sheath and armor in long armored power cables. Calculations by a frequency dependent cable model demonstrate that this voltage can be efficiently limited to an acceptable level by introducing sheath-armor bondings at regular intervals, or by using a semiconductive sheath-armor interlayer. The paper investigates the required minimum length between bondings, as well as the required conductivity of the sheath-armor interlayer if the use of bondings is to be avoided.
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.
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.
This thesis deals with the special electronic properties of the transition-metal aluminides. Following quasicrystals and their approximants it is shown that even materials with small elementary cells exhibit the same surprising effects. So among the transition-metal aluminides also semi-metallic and semiconducting compounds exist, although if they consist of classic-metallic components like Fe, Al, or Cr. These properties are furthermore coupled with a deep pseusogap respectively gap in the density of states and strongly covalent bonds. Bonds are described in this thesis by two eseential properties. First by the bond charge and second by the energetic effect of the bond. It results that in the caes of semiconducting transition-metal aluminides both a saturation of certain bonds and a bond-antibond alteration in the Fermi level is present. By the analysis of the ...
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
The palladium(II) and platinum(II)complexes(where, (M(L){sub 2}X{sub 2}), M=Pd(II), Pt(II); L=isoxazole (isox), 3, 5-dimethylisoxazole(3, 5-diMeisox), 3-methyl, 5-phenylisoxazole(3-Me, 5-Ph-isox), and 4-amino-3, 5-di-methylisoxazole (4-ADI); X=Cl, Br) with isoxazole and its derivatives were investigated on antitumor activity by MM2 and EHMO calculation. Because for all the complexes the {sigma}MO energy level (E{sub {sigma}}{sub (M-X)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of halogen atom is less than {sigma}MO energy level E{sub {sigma}}{sub (M-N)} between d{sub x}{sup 2}{sub -y}{sup 2} orbital of central metal and p{sub x} orbital of N atom, without exception. And judging, from the lower E{sub {sigma}}{sub (M-X)} value in trans, the bonding strength was found to be weaker in trans isomer than in cis. For the Pd(II) and Pt(II) complexes which have planar ligands, it was shown that for all the ...
Novel complexes of the type (Pt(DACH)(N-R-iminodiacetate)), wherein DACH represents (R,S)- and (R,R)-1,2 diaminocyclohexane and R represents /minus/Me, /minus/EtOH, and /minus/CH/sub 2/Ph groups, have been prepared, purified, and characterized by spectroscopic techniques (/sup 1/H, /sup 13/C, and /sup 195/Pt NMR;MS(FAB);IR) and by the measurement of selected physical properties (pH, pK/sub a/, conductivity, and molecular weights). The data are consistent with the formation of two diastereomeric complexes in unequal proportions in which the N-R-iminodiacetate ligand appears to be bonded as a pseudofacial tridentate chelate. One are of the ligand forms a stable five-membered-ring O,N-chelate while the other arm appears to be involved in ion-pair formation (zwitterion-like) involving the carboxylate anion and the formally positive Pt(II) central metal atom. It has been demonstrated indirectly that an active impurity was present in predictably ...
Self-assembled monolayers (SAMs) on various metal, semiconductor or insulator substrates can be easily modified with specific functional groups of interest and have promising applications in surface wetting (hydrophobic/hydrophilic modification), tribology, corrosion protection, sensor electrodes modification, molecular and biomolecular recognition, protein adsorption, cell adhesion, and molecular- or organic-electronic device fabrications. In this paper, we highlight recent progress in the development of SAMs on solid substrates as well as their practical applications, with particular emphasis on the characterization of self-assembled aromatic thiol monolayers with different functional groups on Au(1 1 1) using synchrotron-based photoemission spectroscopy and near-edge X-ray absorption fine structure measurements. The SAM-related molecular orientation, electronic structures, and chemical bonding are presented. Using copper(II) phthalocyanine as a model system, we ...
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 mercuric-chloride-like molecule. Significant correlations between Cl and Hg uptake by gypsum were noted.
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 mercuric-chloride-like molecule. Significant correlations between Cl and Hg uptake by gypsum were noted.
We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of intramolecular energy transfers mediated by the ...
In the frame of the European Technology R and D program for ITER, and in the area of High Heat Flux plasma facing Components (HHFC), representative small-scale mock-ups were manufactured and tested to compare different concepts and joining technologies (i.e. active brazing, Hot Isostatic Pressing (HIPping), diffusion bonding, etc.). On the basis of the results obtained by thermal fatigue tests, the monoblock concept resulted to be the most promising one, particularly when the HIPping manufacturing technology is used. Within this program, ENEA manufactured tungsten monoblock mock-ups by using the HIPping technology. The mock-ups were tested with respect to thermal fatigue and, upon screening tests, the best performance obtained was 15 MW/m{sup 2} for 200 cycles. One of these mock-ups was enclosed in the 'Paride' neutron irradiation campaign. This campaign has the scope of enlarging the available database on the performance ...
In the frame of the European Technology R and D program for ITER, and in the area of High Heat Flux plasma facing Components (HHFC), representative small-scale mock-ups were manufactured and tested to compare different concepts and joining technologies (i.e. active brazing, Hot Isostatic Pressing (HIPping), diffusion bonding, etc.). On the basis of the results obtained by thermal fatigue tests, the monoblock concept resulted to be the most promising one, particularly when the HIPping manufacturing technology is used. Within this program, ENEA manufactured tungsten monoblock mock-ups by using the HIPping technology. The mock-ups were tested with respect to thermal fatigue and, upon screening tests, the best performance obtained was 15 MW/m"2 for 200 cycles. One of these mock-ups was enclosed in the 'Paride' neutron irradiation campaign. This campaign has the scope of enlarging the available database on the performance degradation of prototypical ...
Aminated poly(vinyl chloride) (PVC) membranes were prepared that had a Nernstian response over a wide range of pH. The reaction between PVC and methyl-piperazine (MePIP) in dimethylformamide (DMF) was studied over a wide range of time and temperature, and in the presence of the catalyst, potassium fluoride (KF). Time, temperature, and KF increased the nitrogen (N) content of the resulting polymers, but sometimes at the expense of decreasing their specific viscosities (molecular weights). Activation energies of processes that occurred in different temperature ranges were estimated assuming an Arrhenius relationship. A Nernstian response occurred once the N content approached to about 0.3 w/w %, and was accelerated by the presence of KF at elevated temperatures. Increasing the N content above about 3% led to a loss of the Nernstian response either because of an increase in the double bond content and a subsequent decrease in polymer mobility, or ...
Combustion scientists are primarily concerned with the fuels most often burned as energy sources (coal, petroleum products, and natural gas), with the goal of learning to burn them as efficiently, intensely, and cleanly as possible. Discovering those slight rearrangements of chemical bonds that together account for the net chemical transformation is the key to understanding how combustion proceeds. Once these reactions have been defined, the chemist can determine the rate coefficient of each reaction as a function of temperature and assemble the information into flame models. The computer programs that use these models to predict experimental results combine two sets of equations describing (1) the diffusive and reactive rates of change in concentration of all the molecules in the flame and (2) the flow of the reacting gases. Although the details of hydrocarbon-flame models are still disputed, many of their general features are clear and the basic reactions ...
Recent investigations of wood plastic composites have revealed a detrimental effect of using lubricant systems in production. This includes nullifying part or all of the mechanical benefit of using a polar compatibilizer, maleic anhydride polypropylene (MAPP), in the composite formulation. This investigation utilizes lubricants labeled with deuterium in conjunction with Fourier transform infrared (FT-IR) spectroscopy to allow for the separation of individual lubricants from all other material constituents. All of the deuterium labeled lubricants, used without MAPP, revealed their expulsion from the wood interface during crystallization. MAPP coupling agent was found to exist near the wood, but it is unclear if any covalent bonding with the hydroxyl functionality on the wood surface occurred. The addition of zinc stearate lubricants appears to nullify the activity of the anhydride functionality near the wood surface as evidenced by a shift in ...
Any molecule which has a hydrogen atom attached directly to oxygen or nitrogen is capable of hydrogen bonding. The molecular complexes formed by hydrogen have particularly attracted considerable attention to understand the nature of the bond. The hydrogen bonded complexes formed by acetonitrile with certain alcohols such as tertiary butyl alcohol, isoamyl alcohol, cyclohexyl alcohol, hexyl alcohol and diethylene glycol in benzene were studied. The dipole moments of 1:1 complexes of the above said systems were determined at 308K. The dipolar increments for these systems were computed from the bond angle data available from molecular orbital studies. All these studied systems show that polarization interaction dominates in all the complexes.
Ultrasonic gold and aluminum wire wedge bonding are widely used for electrical and signal interconnections of the integrated circuit chip packages. In this paper, based on the metallurgical theories and thermal aging test methods, the long-term thermal reliabilities of gold and aluminum wire wedge bonding on aluminum and Au/Ni/Cu pads, were investigated, respectively. At 200degreeC, the Au/Al bond interfaces evolved little when the storage time was less than 48h; with the aging time increasing, the interfacial intermetallic compounds (IMC) grew up from the pad (vertical growth); the primary compounds were Au5Al2 near the bond toe and heel, and Au2Al at the periphery. Then, the thickness of IMC was unchanged, and extended horizontally (lateral growth), Au5Al2 transformed into more stable Au...
Microbonding of the CMS Tracker Inner Barrel (TIB) and Tracker Inner Disks (TID) modules was shared among six different Italian Institutes. The organization devised and the infrastructure deployed to handle this task is illustrated. Microbonding specifications and procedures for the different types of TIB and TID modules are given. The tooling specially designed and developed for these types of modules is described. Experience of production is presented. Attained production rates are given. An analysis of the microbonding quality achieved is presented, based on bond strengths measured in sample bond pull tests as well as on rates of bonding failures. Italian Bonding Centers routinely performed well above minimum specifications and a very low global introduced failure rate, at the strip level, of only $\\sim$0.015 \\% is observed.
The purpose of this study was to evaluate the resin-dentin interfacial morphology and shear bond strength of several new and experimental dentin bonding systems classified as single-bottle/total etch, multi-step/total etch, and self-etching. Class 1 and 5 cavities were prepared from freshly extracted permanent molars and restored with composite resin. Each bonded sample was cross sectioned and one-half was completely demineralized and deproteinized, while the other half was polished along the cut surface to permit measurement of the thickness of resin-infiltrated dentin layer (RIDL) within intertubular dentin (iRIDL) and around the peritubular walls (pRIDL) of resin tags by SEM. Shear bond strength was measured for all the systems 2 minutes after photocuring. SEM showed iRIDL and resin tags of different morphology depending on material and dentin location. The iRIDL was thinner in superficial dentin and ...
A portion of the active site of rabbit skeletal myosin near the ribose ring of ATP can be labeled by the photoaffinity analogue 3{prime}(2{prime})-O-(4-benzoylbenzoyl)adenosine triphosphate (Bz{sub 2}ATP). The specificity of the photolabeling was assured by first trapping ({sup 14}C)Bz{sub 2}ATP at the active site by use of thiol cross-linking agents. Five radioactive peptides were isolated by high-performance liquid chromatography after extensive trypsin and subtilisin digestion of photolabeled myosin subfragment 1. Four of these peptides were sequenced by Edman techniques, and all originated from a region with the sequence Gly-Glu-Ile-Thr-Val-Pro-Ser-Ile-Asp-Asp-Gln, which corresponds to rabbit myosin heavy chain residues 312-328. The fifth labeled peptide had an amino acid composition appropriate for residues 312-328. Amino acid composition, radiochemical analysis, and sequence data indicate that Ser-324 is the major amino acid residue ...
Full text: The transmutation of nuclear waste to reduce the burden on a geological repository is a relevant topic within the Program of Nuclear Safety Research of the Research Centre Karlsruhe. Several studies have confirmed that a high efficiency of transmutation of actinides is reached in fast neutron spectrum reactor system. Therefore, an important effort is dedicated to the study of transmutation strategies with different fast reactors and their associated technologies. Moreover, in international contexts as Generation IV International Forum (GIF) and Sustainable Nuclear Energy Technology Platform (SNETP), fast reactors are considered in the frame of sustainable development of nuclear energy and reduction of waste. The systems that are currently under investigation, in the frame of the different fuel cycle scenarios, are liquid metal cooled and gas cooled fast reactors as well as Accelerator Driven Sub-critical Transmutation devices (ADS). These innovative reactor systems, call for ...
The long-term durability of bonds between adhesive resins and dentin is of significant importance for the longevity of bonded restorations. We carried out an in vivo one-year study to evaluate the durability of resin-dentin bonds in the oral cavity, as well as to test the hypothesis that the adhesive interface would show morphological changes in vivo over time. Very shallow saucer-shaped dentin cavities were prepared in 12 intact teeth of one Japanese monkey (Macaca fuscata) under general anesthesia. The cavities were restored with Clearfil Liner Bond II and Clearfil Photo Posterior resin composite. The teeth were extracted at three different times: immediately, and 180 and 360 days after placement of the restorations. One day after the monkey was killed, specimens of the three time periods were subjected to the micro-tensile bond test at a crosshead speed of 1 mm/min. The surfaces ...
Research was conducted to determine the effect of electrochemical aging on large area arc-sprayed zinc anodes for cathodic protection of bridges and other reinforced concrete structures. The study focused on the influence of total charge passed and concrete surface preparation on the bonding of the zinc to the concrete. Half of the samples were preheated prior to being arc-sprayed with zinc. The preheated samples had initial bond strengths that were 80% higher than the unheated samples. This difference in bond strength became insignificant after the passage of approximately 200 kC/m{sup 2} (5.2 A-h/ft{sup 2}) and bond strengths for all samples started to decrease after approximately 600 kC/m{sup 2} (15.5 A-h/ft{sup 2}). These changes in bond strength were correlated with observed changes in the permeability of the zinc coating to water, the electrical behavior of the zinc-concrete ...
The principle of conservation and transferability of chemical bonds explains the recent discovery by extended x-ray absorption fine-structure measurements of two unequal anion-cation bond lengths R/sub A/C and R/sub B/C in A/sub x/B/sub 1-x/C zinc-blende semiconductor alloys despite the close adherence of the lattice constant to the average value (Vegard rule). This bond alternation, manifested as a structural distortion to a local chalcopyrite coordination around the anions, explains also most of the observed optical bowing in semiconductor alloys.
The principle of conservation and transferability of chemical bonds explains the recent discovery by extended x-ray absorption fine-structure measurements of two unequal anion-cation bond lengths R/sub A/C and R/sub B/C in A/sub x/B/sub 1-x/C zinc-blende semiconductor alloys despite the close adherence of the lattice constant to the average value (Vegard rule). This bond alternation, manifested as a structural distortion to a local chalcopyrite coordination around the anions, explains also most of the observed optical bowing in semiconductor alloys.
A new analysis is developed for long secondary photocurrent transients which gives the distribution of trapped holes in valence band tail states. Thermally assisted tunneling to dangling bonds is implicated as the rate limiting step in hole-recombination. Light-soaking causes the energetically deeper hole traps with the longer residence times to be lost first and in the same number as would be expected for the increase in dangling bonds; This result supports a model which has hole trapping in valence tail states as a precursor to light induced dangling bonds.
Lecture notes (pdf) on Ceramics is part of a physics course on the properties of matter from the University of Auckland, Department of Chemical and Materials Engineering. The following topics are covered: types of chemical bonding, degree of ionic character, structure of ceramics and crystallography, interstitial sites in different crystal structures, silicate structures, glasses, glass transition temperature, glass viscosity, thermal and mechanical properties of ceramics and glasses, fracture properties of ceramics and processing of ceramic materials. Keywords: ionic bonds; covalent bonds; coordination numbers; thermal shock; grain growth; sintering; green body
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 some complex formation between the small-molecule surfactants and the maltodextrins. ...
Silicon is an attractive alloy-type anode material because of its highest known capacity (4200 mAh/g). However, lithium insertion into and extraction from silicon are accompanied by a huge volume change, up to 300%, which induces a strong strain on silicon and causes pulverization and rapid capacity fading due to the loss of the electrical contact between part of silicon and current collector. Si nanostructures such as nanowires, which are chemically and electrically bonded to the current collector, can overcome the pulverization problem, however, the heavy metal current collectors in these systems are larger in weight than Si active material. Herein we report a novel anode structure free of heavy metal current collectors by integrating a flexible, conductive carbon nanotube (CNT) network into a Si anode. The composite film is free-standing and has a structure similar to the steel bar reinforced concrete, where the infiltrated CNT network ...
An analogue of hGH isolated from plerocercoids of the tapeworm Spirometra mansonoides displaces ["1"2"5I]hGH from its receptors in rabbit, rat, and hamster liver membranes. Biologically, plerocercoid growth factor (PGF) is more similar to hGH than to other mammalian GH's but has not been shown to bond human cells. Receptors specific for hGH have been described on cultured human lymphocytes (IM-9). In this study, the authors compared the binding of PGF and hGH in IM-9 cells and in rabbit hepatic membranes. IM-9 lymphocytes (12 x 10"6 cells/tube) were incubated with ["1"2"5I]hGH and increasing concentrations of hGH (ng/ml) or PGF (serial dilutions) for 90 min at 30"0 C. Specific binding (B_0 - NSB) was determined for each dose of hGH or PGF and the binding curves were analyzed by logit-log regression. The results show that PGF displaced ["1"2"5I]hGH from human cells in a dose dependent manner (r = 0.98). Based on the IM-9 assay, 1 ml of the PGF had an ...
The passive films formed in stainless steels are thin and fine oxide films, a high corrosion resistance can be provided by these films. This study formed SiO2 protective coating on the substrate of SUS 304 stainless steels by chemical vapor deposition using TEOS-O3 system. Firstly, relations of substrate temperature and deposition rate of films, chemical composition, refractive index of films were investigated. Then, the corrosion resistance of SUS 304 stainless steels coated SiO2 films was examined by activation time and an anodic polarization curve in 1 kmol[center dot]m[sup -3] HCl solution. The results were obtained as follows. Thickness of SiO2 films linearly increases with time at the deposition temperature of 473 to 673 K. Si-OH bonds would disappear above the deposition temperature of 573 K, almost perfect SiO2 films were obtained. The activation time in 1 kmol[center dot]m[sup -3] HCl solution increased with ...
One of the main requirements to use Be as a candidate for plasma facing component in ITER is providing a reliable joint between Be and Cu-alloy heat sink structure. In this work authors present the results of recent activity on this way. To create Be/CuCrZr joints the unique fast e-beam brazing technology was developed in Russia. The numbers of Be/CuCrZr mock-ups were manufactured in Efremov Institute by fast e-beam brazing using Cu-Sn-In-Ni brazing alloy. These mock-ups were tested by Sandia Laboratory at the EBTS electron beam facility. The goals of the tests were to define the allowable dimensions of the armour tiles for the heat loads of more than 10 MW/m{sup 2}, to find the limit of bond strength for the Be/CuCrZr joint and response to heat loads and to estimate the life time of the brazed tiles by thermo-cyclic testing. The screening and thermal fatigue results are presented. With the aim to check the applicability of developed fast ...
A silicon solar cell assembly comprising a large, thin silicon solar cell bonded to a metal mount for use when there exists a mismatch in the thermal expansivities of the device and the mount.
Aesthetic dentistry continues to evolve through innovations in bonding agents, restorative materials, and conservative preparation techniques. The use of direct composite restoration in posterior teeth...Full Text Available
Introduction The objective of this study was to investigate the in-vitro fluoride release from a glass ionomer orthodontic bonding system (Fuji I, GC Corporation, Tokyo, Japan) over a 2-month period and the in-vivo enamel fluoride uptake after 6 months. Methods Ten metal brackets were bonded with either glass ionomer or composite resin (Transbond XT, 3M Unitek, Monrovia, Calif; Light Cure), which served as controls, to recently extracted molars. The bonded teeth, cut at the level of their roots, were stored in distilled water that was renewed after every fluoride measurement at 1, 3, 7, 30, and 60 days. The in-vitro fluoride release was measured by using a fluoride ion-selective electrode, connected to an ion analyzer. Fifteen pairs of premolars were bonded with metal brackets with either ...
... Schioler (703) 306-1836 lschiole@nsf.gov This material is available primarily for archival purposes ... of superconducting materials. Colossal magnetoresistance materials are those in which the electrical ...
... Confirm isolates that appear as typical E. coli on L-EMB and are X-gal (+), MUG (+) or (-) and ... Hill, WE, KC Jinneman, PA Trost, JL Bryant, J. Bond and MM Wekell ...
When clinoptilolite is immobilized in cement-based composites, a series of reactions occur, leading to release of Cs. These reactions occur in three overlapping stages: a rapid ion exchange, followed by a somewhat slower reaction between clinoptilolite and principally the Ca(OH)_2 component of cement, and, in the longer term, slower reactions with C-S-H leading either to formation of low-lime C-S-H at temperatures below 100"0C or 11 A (1.1 nm) tobermorite at higher temperatures. Kinetic data are presented to evaluate the rate of physical consumption of the zeolites at 70 and 150"0C. Reactions occurring above 100"0C appear to result in the development of extensive microcracking of cement-zeolite composites containing 50% zeolite.
A.C.R.O. (Association pour le Controle de la Radioactivite dans l Ouest) is a French non governmental organisation that operates a laboratory for radioactivity analysis. It was created in 1986 as a response to people demands for information and reliable, independent testing. The organisation mainly carries out missions of information and training for its correspondents and more generally for a wide audience, particularly for people who worry about problems of environment, health, management of radioactive waste and emissions. Thanks to its structure, it enables citizens to involve themselves together with scientists so as to gain access to information that was hither to reserved to specialists. The organisation can vouchsafe its independence from the diversity of its members and volunteers, as well as from the diversity of its money resources. Besides its headquarters situated on the city of Caen area (Normandy), three branches situated in North Normandy, in Touraine and North Cotentin ...
This paper describes a feasibility demonstration of a thermal scanning NDE system for thermal spray coatings. Non-bonds were detected between several types of coatings and their substrates. Aluminum anti-skid coatings having very rough surfaces were included. A technique for producing known non-bond areas for calibrating and demonstrating NDE methods was developed.
The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.
The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.
An amorphous mesoporous titania-silica aerogel (20 wt%TiO{sub 2} - 80 wt% SiO{sub 2}) and tert.-butylhydroperoxide (TBHP) have been used for the epoxidation of various allylic alcohols. Allylic alcohols possessing an internal double bond were more reactive than those with a terminal C=C bond. Epoxide selectivities could be improved by addition of (basic) zeolite 4 A and NaHCO{sub 3} to the reaction mixture. (orig.)
The addition of titanium to eutectic braze compositions causes these alloys to readily wet and bond to A1N ceramics. Electron microscopic characterizations of the metal-ceramic interfaces reveal the presence of TiN, along with other Ti- and Al-containing phases. The formation of such interfacial reaction products is an additional thermodynamic driving force for the creation of useful metal-ceramic bonds. 12 refs., 4 figs., 1 tab.
Substantial changes in the radial distribution function of amorphous Si films have been observed in neutron-diffraction studies. The spectra indicate changes in short-range order associated with an approx.11% modification in the bond-angle distribution width. The results allow the first direct comparison of structural and vibrational Raman probes of variations in local order in thin-film amorphous solids. Good agreement is obtained between the measured bond-angle variation and that based on Raman estimates.
The wavefunction of a particle extends into the classically forbidden barrier region of the potential energy surface. The consequence of this partial delocalisation is the phenomenon of quantum tunnelling, an effect which enables a particle to penetrate a potential barrier of magnitude greater than the energy of the particle. The tunnelling probability is an exponential function of the particle mass. The effect is therefore an important contribution to the behaviour of light atoms, in particular the proton. The hydrogen bond has long been appreciated to be an essential component of many biological and chemical systems, and the proton transfer reaction in the hydrogen bond is fundamental to many of these processes. The proton behaviour in the hydrogen bonds of benzoic acid, acetylacetone and calix-4-arene has been studied. A variety of techniques, both experimental and computational, were adopted for the study of the three ...
Four inorganic hydrogen-bonded crystals with second-order nonlinear properties have been discovered: K_4LiH_3(SO_4)_4, Na_2SeO_4#centre dot#H_2SeO_3#centre dot#H_2O, Cs_1_,_5Li_1_,_5H(SO_4)_2 and NH_4HSeO_4. (author)
According to the present invention, a joined product is at least two ceramic parts, specifically bi-element carbide parts with a bond joint therebetween, wherein the bond joint has a metal silicon phase. The bi-element carbide refers to compounds of MC, M.sub.2 C, M.sub.4 C and combinations thereof, where M is a first element and C is carbon. The metal silicon phase may be a metal silicon carbide ternary phase, or a metal silicide.
For the protection of buried steel pipeline, it is common practice to coat the pipelines with highly insulating coating and apply a cathodic current to insulate the pipe from the aggressive environment. Cathodic current protects holidays or damaged area of coating which required less current than would be needed for an uncoated pipe, but because of the cathodic reactions evolution will be taken H{sub 2} and OH{sup -} on holidays which exposed metal to the environment place. This effect is to cause loss bond of coating around the holidays called cathodic dis-bonding. In this paper we measured cathodic dis-bonding of three types of coatings at - 1.5 V(Cu/CuSO{sub 4}) according to ASTM G8. We studied on cathodic dis-bonding resistance of petroleum-base, coal tar-base and polyethylene plastic tape coatings. After 30 days immersion in electrolyte it was found that the cathodic disbanding resistance of ...
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.).
4.5S RNA is a group of RNAs 90 to 94 nucleotides long (length polymorphism due to a varying number of UMP residues at the 3' end) that form hydrogen bonds with poly(A)-terminated RNAs isolated from...Full Text Available
Based on our cryogenic FT-IR spectroscopic studies of hydrogen bonds in cholic acid, the two-dimensional FT-IR spectroscopy was applied to enhance our understanding of the hydrogen bonds. Fine spectral structures were revealed by asynchronous 2D FT-IR spectra. The co-relationship among various bands was discussed according to the synchronous 2D FT-IR spectra. .
A quadruply redundant synchronous fault tolerant processor (FTP) is now under fabrication at the C.S. Draper Laboratory to be used initially as a trip monitor for the Experimental Breeder Reactor EBR-II operated by the Argonne National Laboratory in Idaho Falls, Idaho. The real time operating system for this processor is described.
Nuclear fuel cycle information in some countries that develop, supply or use nuclear energy is presented. Data about Argentina, Australia, Belgium, Netherlands, Italy, Denmarmark, Norway, Sweden, Switzerland, Finland, Spain and India are included. The information is presented in a tree-like graphic way. (C.S.A.).
Using a unique high-frequency futures dataset, we characterize the response of U.S., German and British stock, bond and foreign exchange markets to real-time U.S. macroeconomic news. We find that news produces conditional mean jumps; hence high-frequency stock, bond and exchange rate dynamics are linked to fundamentals. Equity markets, moreover, react differently to news depending on the stage of the business cycle, which explains the low correlation between stock and bond returns when averaged over the cycle. Hence our results qualify earlier work suggesting that bond markets react most strongly to macroeconomic news; in particular, when conditioning on the state of the economy, the equity and foreign exchange markets appear equally responsive. Finally, we also document important contemporaneous links across all markets and countries, even after controlling for the effects of macroeconomic news.
ObjectivesThe aim of this study was to evaluate the relationship between micro-tensile bond strength (mTBS) and ultimate tensile strength (UTS) of resin composite restorations in cavities filled by a bulk or incremental technique using the micro-tensile test.MethodsClass I cavities (4mm long, 3mm wide, 3mm deep) were prepared into dentine of sixteen human molars. All cavities were bonded with Clearfil SE Bond and restored with AP-X composite with either a bulk or incremental technique. After storage in water for 24h, the teeth were vertically sectioned to yield two slabs. Each slab was sectioned into three sticks. Sticks of one slab were trimmed into an hourglass of 0.7mm2 area at resin-dentine interface for bond strength measurement while the other sticks were trimmed at the centre of the...
Described herein are the results of the FY1994 research program for structural defects of silicon-based amorphous materials for solar cells. The study on light generation defects of the a-Si:H system and rejuvenation process by annealing establishes the effects of light irradiation time on changed neutral dangling bond density as a result of light irradiation at varying temperature of 77K, room temperature and 393K. The study on annealing to rejuvenate light generation defects of various types of a-Si-H systems establishes the activation energy distribution with respect to annealing to remove light-induced defects, showing that hydrogen affects the distribution of light-induced defects. The study on decaying process of light-induced ESR for undoped and N-doped a-Si:H systems observes the decaying process of light-induced ESR, after light is cut off, extending for a period of several seconds to several hours at 77K for the a-Si-H systems ...
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 ...
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 (FT-ICR MS) for speciation of acidic oil ...
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) ...
This report summarizes the research conducted during Budget Period One on the project ''Improved Natural Gas Storage Well Remediation''. The project team consisted of Furness-Newburge, Inc., the technology developer; TechSavants, Inc., the technology validator; and Nicor Technologies, Inc., the technology user. The overall objectives for the project were: (1) To develop, fabricate and test prototype laboratory devices using sonication and underwater plasma to remove scale from natural gas storage well piping and perforations; (2) To modify the laboratory devices into units capable of being used downhole; (3) To test the capability of the downhole units to remove scale in an observation well at a natural gas storage field; (4) To modify (if necessary) and field harden the units and then test the units in two pressurized injection/withdrawal gas storage wells; and (5) To prepare the project's final report. This report covers ...
Statement of problem The use of titanium has increased for metal ceramic restorations, as well as for use in titanium implants, with developments in CAD/CAM technology. Some surface treatments of titanium have been introduced to enhance the titanium bond strength to low-fusing porcelains; however, a more reliable, easily used dental laboratory method has not been established. Purpose The purpose of this study was to compare the effect of laser etching as a titanium surface treatment with 3 other surface treatments (machining, airborne-particle abrasion, and acid etching), evaluating their ability to enhance the bond strength between a titanium substrate and porcelain. Material and methods A total of 64 specimen rods of commercially pure titanium (ASTM grade 2, 20 mm in length and 5.7 mm in...
Neopentane, because of its unique structural features, was found to be a useful probe for the assay of the acidity of various zeolites. The C-C bond was attacked by catalyst protons yielding CH/sub 4/ and the isobutyl carbenium ion in equal quantities. The latter either decomposed to produce isobutene or underwent secondary reactions. New avenues for reaction were opened with isobutane. The reaction of the Bronsted protons with the tertiary CH bonds produced H/sub 2/ and the same isobutyl carbenium ion. Hydride ion transfer of the same tertiary hydrogen to existing carbenium ions also occurred and the results showed that about half of the reaction was carried by this pathway. As with Neopentane, the C-C bond could also be attacked yielding the sec-propyl carbenium ion. These tools are being further developed.
On ships, tankers and similar vessels structural defects such as cracks and corrosion damage are typically repaired by welding. However, welding is unwanted hotwork on floating offshore units (FOUs) such as floating, production, storage and offloading (FPSO) and floating, storage and offloading (FSO) vessels because it requires shutdown of parts of the vessel thus resulting in expensive production delays. Bonded fibre composite material patch repairs can be used as an alternative to overcome the hazards of hotwork associated with welding. The patches are bonded over the defect and the integrity of the original structure is hence restored. The patch repair technology can also be utilised to provide upgrades, such as life extensions and higher design requirements. A recommended practice (RP)...
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.
Low power rf measurements, S11, of electro-discharge machined (EDM) diffusion bonded mm-wave traveling wave rf cavities were not in satisfactory agreement with electromagnetic simulations. During subsequent mechanical inspection, the cell-to-cell iris were found to be distorted. This led to a series of systematic experiments to study the mechanical properties of oxygen free high conductivity Copper (OFHC) and Glidcop AL-15. Results of these studies which include cell-to-cell iris distortion, EDM machining accuracies, surface quality, and the results of different bonding techniques are presented. The results of our mechanical studies are used to develop a set of mechanical design constraints for a second series of constant impedance W-Band structures that also used wire EDM and high temperature bonding for their manufacture.
Rapid nitridation was used to fabricate reaction-bonded and postsintered -Si6-ZAlZOZN8-Z (Z=1) ceramics with monoclinic ZrO2 added to the starting powder. Thermo-gravimetric analysis revealed that the addition of ZrO2 reduced the starting temperature of the main nitridation reaction. Using a reaction-bonding route with heating rates of 5, 10, and 20C/min, to fabricate -SiAlON ceramics without ZrO2 resulted in unreacted silicon that bled out of the specimens and the Z=1 composition samples did not maintain the original green compact morphology. On the other hand, no such bleeding of melted silicon was observed for samples with ZrO2 additions and the samples following nitridation maintained the original green morphology. The microstructure and mechanical properties of samples produced by rap...
Electron charge distributions are presented for Nb_3Ge, Nb_3Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb_3Ge is also investigated.
Electron charge distributions are presented for Nb3Ge, Nb3Al, and two hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near EF suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb3Ge is also investigated.
Electron charge distributions are presented for Nb/sub 3/Ge, Nb/sub 3/Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb/sub 3/Ge is also investigated.
Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...
The availability of dimeric Pt(I) complexes with bridging bis(diphenylphosphino)methane ligands, (L--L')/sup n+/, presents an opportunity to study the physical properties and reactivity of metal-metal bonds as a function of the ligand trans to it with a minimum of competing variables. Several interesting trends of Pt-P coupling constants with the Pt-L and Pt-Pt bond lengths in Pt(I) dimers, (L--L')/sup n+/, and structurally related Pt(II) complexes are reported here. The data indicate that the Pt-P coupling constants continue to be sensitive indicators of not only the structure and stereochemistry of platinum phosphine complexes but also the electronic and steric influences of the ligand in such complexes, 23 references, 1 figure, 4 tables.
Unlike most mammalian species, the prairie vole is highly affiliative, forms enduring social bonds between mates, and displays biparental behavior. Over two decades of research in this species...Full Text Available
The formation and maintenance of social bonds in adulthood is an essential component of human health. However studies investigating the underlying neurobiology of such behaviors have been scarce....Full Text Available
Abstract Purpose: Long-term success of metal ceramic restorations depends on metal ceramic bond strength. The purpose of this study was to determine whether recasting of base-metal alloys has any effect on metal ceramic bond strength. Materials and Methods: Super Cast and Verabond base-metal alloys were used to cast 260 wax patterns. The alloy specimens were equally divided into five groups and cast as: group A 0.0%, B 25%, C 50%, D 75%, and E 100% once-cast alloy. Each group was divided into two subgroups: the first group was cast with Super Cast and the second with Verabond. In each subgroup half of the cast alloys were veneered with Vita VMK 68 and the others with Ceramco 3. Results: Recasting decreased bond strength (p < 0.006) when used for 50% once-cast alloy. Group E with 100% new S...
The Cement Bond Log Advisor is an expert system being developed to assist users in the design, evaluation, and interpretation of cement bond logs (CBL's). CBL's are produced by sonic tools run after the casing is cemented in a well to determine how well the cement is bonded to the casing and formation and whether a cement squeeze jog should be attempted. During the development of program, two particular challenges were encountered and resolved in ways that might be of general interest to developers of expert system applications for the petroleum industry. The first challenge was to find an efficient and effective method for guiding the user in correlating and interpreting the relationships between multiple sources of continuous visual data (the various waveforms making up the log output). Second, the nomographs, which correlate log amplitudes with cement compressive strength and are used in the log ...
Photosynthetic antenna complexes capture and concentrate solar radiation by transferring the excitation to the reaction center that stores energy from the photon in chemical bonds. This process occurs...Full Text Available
The detailing of the intermolecular interactions in dense solid oxygen is essential for an understanding of the rich polymorphism and remarkable properties of this element at high pressure. Synchrotron...Full Text Available
Membrane cofactor protein (MCP or gp45-70) of the complement system is a cofactor for factor I-mediated cleavage of fluid-phase C3b and C3b-like C3, which opens the thioester bond. In the present study...Full Text Available
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
An inner surface substrate of metal tubes is provided with a single layer of randomly distributed metal bodies bonded to the substrate, spaced from each other, and substantially surrounded by the substrate to form body void space.
Human Factor VIII/von Willebrand factor, purified by calcium citrate-cellulose chromatography and 4% agarose gel filtration was subjected to sodium dodecyl sulfate gel electrophoresis on gels containing...Full Text Available
Recent evidence suggests a role for corticotropin-releasing factor (CRF) in the regulation of pair bonding in prairie voles. We have previously shown that monogamous and non-monogamous vole...Full Text Available
The adhesive proteins secreted by marine mussels form a natural glue that cures rapidly to form strong and durable bonds in aqueous environments. These mussel adhesive proteins contain an unusual...Full Text Available
A new industrial process allowing to reach very high cooling rates in the cooling section after soaking of a continuous annealing line for steel sheets is presented. This process constitutes the successful conclusion of a long term research programme, jointly carried out at CRM and Arcelor Cockerill-Sambre for three years, including laboratory experiments, pilot scale trials and several industrial campaigns. It is running on from developments performed in the framework of the HOWAQ (Hot Water Quench) process. The process successively combines a moderate cooling step (600 deg C/s for 0.8 mm thick strips), in boiling water, and a faster cooling step (above 700 deg C/s), by impinging turbulent cold water in a box. Its main features are simplicity, resulting from advanced developments, soundness, flexibility and cooling homogeneity. As treated steel products are characterized by improved mechanical properties, outstanding surface quality (corrosion ...
The results of an investigation into the behavior of adhesively bonded doubler splices of two composite material sandwich panels are presented. The splices are studied from three approaches: analytical; numerical (finite elements); and experimental. Several parameters that characterize the splice are developed to determine their influence upon joint strength. These parameters are: doubler overlap length; core stiffness; laminate bending stiffness; the size of the gap between the spliced sandwich panels; and room and elevated temperatures. Similarities and contrasts between these splices and the physically similar single and double lap joints are discussed. The results of this investigation suggest several possible approaches to improving the strength of the sandwich splices.
The natural clayey soils are usually structural and unsaturated, which makes their mechanical properties quite different from the remolded saturated soils. A structural constitutive model is proposed to simulate the bonding-breakage micro-mechanism. In this model, the unsaturated soil element is divided into a cementation element and a friction element according to the binary medium theory, and the stress-strain coordination for these two elements is obtained. The cementation element is regarded as elastic, whereas the friction element is regarded as elastoplastic which can be described with the Gallipoli?s model. The theoretical formulation is verified with the comparative experiments of isotropic compressions on the saturated and unsaturated structural soils. Parametric analyses of the e...
A billet of low-density carbon-bonded carbon fiber (CBCF) composite is machined into a desired attenuator or load element shape (usually tapering). The CBCF composite is used as a free-standing load element or, preferably, brazed to the copper, brass or aluminum components of coaxial transmission lines or microwave waveguides. A novel braze method was developed for the brazing step. The resulting attenuator and/or load devices are robust, relatively inexpensive, more easily fabricated, and have improved performance over conventional graded-coating loads.
The review covers the development within the field of cleavable surfactants since 2003. Cleavable surfactants are amphiphiles in which a weak linkage has been deliberately inserted, normally, but not always, between the hydrophobic tail and the polar headgroup. Alkali labile linkages that have been used for the purpose include normal ester bonds, betaine esters, and carbonates. Ketals and ortho esters are example of bonds that are susceptible to acid hydrolysis. Several investigations deal with cationic ester-containing surfactants, both monomeric and dimeric species, the latter being gemini surfactants. Ester, amide and carbonate containing surfactants have been investigated with respect to enzyme catalyzed hydrolysis. The main incentive for the development of novel cleavable surfactants ...
The Nuclear Regulatory Commission (NRC) on December 29, 1993, promulgated self-guarantee requirements that materials licensees may use to demonstrate financial assurance for decommissioning costs. However, nonprofit colleges and universities, nonprofit hospitals, and for-profit firms that do not issue bonds are currently precluded, by their unique accounting and financial reporting systems, or by other features of their business practices, from using the financial tests for self-guarantors adopted by the NRC. This Report evaluates several alternative financial tests that might serve as the basis for self-guarantee by these three categories of licensees.
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).
The basis of assessment for particulate exhaust emissions is the gravimetric analysis of the particle concentration of diluted exhaust gases at temperatures below 52 C. This is very time consuming and takes sufficient sensitivity at low particulate emission rates like downstream of particle filters. For this reason the C/S-method, based on the thermographic analysis of carbon and sulfur, has been developed as an alternative to the gravimetric anallysis. This method yields particle mass as well as the main particle compounds. Comparisons between both methods have been carried out for heavy duty and automobile diesel engines as well as road vehicles and large diesel engines. The tests were conducted with commercial diesel fuel and also with other fuels, such as heavy oils. It could be shown that the C/S-procedure yields the same results as the gravimetric procedure independent of engine, engine mode and kind of fuel. The analysis of all important ...
Fuel cell vehicles have been identified as the personal transportation technology of the future because of their high efficiency and very low emissions. To achieve the goal of road-ready fuel cell vehicles, great strides must be made in the development of fuel cells, hydrogen production and hydrogen storage technologies, that includes metal-H interaction studies and safety considerations. The interaction between two-hydrogen atoms and a {gamma}-Fe structure containing a vacancy has been studied using a cluster model and a theoretical method. For the study of the sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near the vacancy. The interactions mainly involve Fe 4s-H 1s atomic orbitals. The contribution of Fe 4p and Fe 3d orbitals is much less important. The Fe-Fe bond is weakened as new Fe-H-H and H-H pairs were formed. The effect of H atoms is limited to its first Fe neighbors. The Fe-Fe bond ...
The rate of the oxygen-exchange reaction in an aqueous solution of a heterocyclic oxygen compound, 2,4,6-trimethylpyrylium perchlorate, was quantitated. The /sup 18/O isotope effect in /sup 13/C NMR spectroscopy affords a direct, continuous, and relatively simple analysis of the reaction and was used to obtain data on the incorporation of /sup 18/O from solvent H/sub 2//sup 18/O into the pyrylium salt. Due to the low solubility of this salt in aqueous solutions, 2,4,6-trimethyl(2-/sup 13/C)pyrylium perchlorate and 2,4,6-trimethyl(2,6-/sup 13/C/sub 2/)pyrylium perchlorate were synthesized to facilitate the acquisition of the data on an NTC-200 spectrometer operating at 50.31 MHz. Upon incorporation of /sup 18/O into the pyrylium salt, the /sup 13/C NMR signal of the directly bonded carbon atom is shifted upfield 0.038 ppm. A /sup 13/C isotope effect is also detected in the doubly /sup 13/C-enriched pyrylium salt where the /sup 13/C NMR signal for /sup 13/C-O-/sup ...
The ERICAM model (Environmental Risk Internalization through Capital Markets) includes the capital markets as a source contributing to the coverage of risks due to nuclear activites, thus enhancing the effectiveness and functions of the nuclear liability law. The model proposed will allow higher amounts for compensation and will increase financial security, flow of information, and efficient use of resources. The implementation of the model can be achieved on the financing side by issuing Nuke bonds, linking accident-specific options to government bonds. This will essentially increase the risk coverage compared to present means, and will be a pin-pointed addition to the existing layer system. There are three institutions proposed to act as mediators in the implementation of the model: A government authority to supervise the trade in Nuke bonds. Risk-bearing associations in oder to enhance the model`s efficiency, and to ...
Experimental results of compatibility tests on ceramics-metal bonded structures performed under high heat flux conditions in splash test apparatus are reported. Emphasis is placed on results of the channel wall design and its critical operating conditions under MHD environment. The module design of one cold type and three semihot type insulators have been tested. These materials were Al_2O_3, Al_2MgO_4, LaAlO_4, MgO and Sialon ceramics. The methods of cold type ceramics-metal bonding structure were studied on Al_2O_3 and Spinel spray coating technology. The refractory metallizing and ceramics-metal graded structure manufactured by HIP technologies were applied to bonding between the MgO or LaAlO_4 and metallic cooling system. The Sialon non-bonding structure was tested with mechanical supported cooling system by shrinc fitting method. The results indicated that the bonding ...
Anisotropic Nd{endash}Fe{endash}B magnet powders can be produced by the hydrogenationdecomposition-desorption-recombination (HDDR) process from Nd{endash}Fe@ xnB{endash}Co{endash}M ({ital M}=Ga, Zr, Nb, Hf, and Ta) alloys. The present status of those HDDR powders and the bonded magnets made from them are reviewed with regards to the powder particle size dependence of their magnetic properties, their magnetic thermal stability, and their magnetization behavior. The results of a mechanistic study on the recombination step are also presented. The magnetic properties of the anisotropic HDDR powder depend relatively little on the powder particle size. Bonded magnets with a density of {approximately}6.20 g/cm{sup 3} and a BH{sub max} of 18.5{endash}20.5 MGOe can be produced from anisotropic HDDR powders with particle sizes of below 300 {mu}m diam. The temperature coefficient of the intrinsic coercive force {sub {ital iH}}{sub {ital c}}, of the ...
Three new rare earth metal-rich compounds, Gd_6MTe_2 (M=Co, Ni) and Er_6RuTe_2, were synthesized in direct reactions between the R, R_3M, and R_2Te_3 (R=Gd, Er, M=Co, Ni, Ru). These materials all adopt the same Zr_6CoAl_2 structure type with space group P6-bar 2m (No. 189, Z=1). Single crystal structures of Gd_6CoTe_2 and Er_6RuTe_2 were determined and lattice parameters are a=b=8.3799(5), c=3.9801(4) A, and a=b=8.1473(5) A, c=3.9962(4) A, respectively. Gd_6NiTe_2 was characterized by X-ray powder diffraction; lattice parameters are a=b=8.412(2), c=3.9577(9) A. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.
It is now over 30 yr since the original discovery was made that acetylenic compounds are effective in inhibiting the corrosion of iron in acid media. Since then, the industrial practice of oil-well acidizing has become well-established, with key acetylenic compounds such as propargyl alcohol, hexynol, and ethyl octynol assuming increasingly important roles. New and more stable triple-bonded compounds properly formulated and synergized with nitrogen compounds are expected to be used more extensively as temperature, stability, and performance requirements increase. An evaluation is made of the structural features which enhance or limit the corrosion performance of a given acetylenic. New data involving mixtures of acetylenics, hydrogen-bonded complexes, and the use of new nitrogen synergists are covered also. Tabular data at 200/sup 0/F approximate the more strenuous conditions of an oil-well acidizing job using N-80 tubing. The performance of ...
Urea-formaldehyde resin bonded particle board, medium density fiberboard and plywood paneling are used as flooring, wall paneling, for cabinet work and in furniture, and are present in almost every office, home and public building. If large quantities of these products are used in poorly ventilated spaces, high manufacturing quality control is necessary to avoid problems of latent formaldehyde release. Indoor air formaldehyde concentrations depend on the nature of the product, the product surface to air volume (loading) factor, temperature, humidity, age and product emission rates. Standard test methods are now available for measuring product emission rates that make it possible to predict the performance of UF-bonded pressed wood materials if use conditions and environmental parameters are known. Recent modifications in adhesive and board manufacturing parameters have made it possible to reduce formaldehyde emission significantly, and ...
We are attempting to characterize and model the micromechanical response of highly-filled polymers. In this class of materials, the continuous plastic binder used to bond the highly-filled material dominates the observed viscoelastic response. As a result, realistic lifetime analysis of these materials will require a thorough understanding of the contribution of the plastic binder. Laboratory applications of these materials include plastic bonded explosives, propellants, a variety of specialized filled organic materials for stockpile systems, and highly filled epoxy dielectric materials for the National Ignition Facility. We have explored numerous techniques to characterize the local microstructure of plastic bonded explosives. However, insufficient funding was obtained to bring these technologies to maturity, nevertheless our present tool set is significantly better than 2 years ago. We have also made some progress in ...
To improve the surface properties of magnesium alloy, a lining process using shot peening was carried out. The lining of magnesium alloy with metals such as titanium and nickel is useful in heightening the corrosion and wear properties for the components. In the shot peening experiment, the foil set on the magnesium workpiece is pelted with many shots at a high velocity. The foil is bonded to the surface of the workpiece due to plastic deformation induced by the collision of the shots. A pure aluminum foil is inserted between the hard foil and magnesium workpiece to assist the bonding. To heighten the bondability, the foil and workpiece are heated and the flow stresses of the metals are reduced. In this experiment, a centrifugal shot peening machine with an electrical heater was employed. The workpieces were commercially magnesium alloys AZ31B and AZ91D, and the foils were commercially pure aluminum, pure titanium and pure nickel. The effects ...
The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...
A family of sealant materials has been developed for use in the solid oxide fuel cell (SOFC) and in other applications in the temperature range of 800 endash 1000 degree C. These materials are based on glasses and glass-ceramics in the SrO endash La_2O_3 endash Al_2O_3 endash B_2O_3 endash SiO_2 system. The coefficients of thermal expansion (CTE) for these materials are in the range of 8 endash 13x10"-"6/degree C, a good match with those of the SOFC components. These sealant materials bond well with the ceramics of the SOFC and, more importantly, form bonds that can be thermally cycled without failure. At the fuel cell operating temperature, the sealants have viscosities in the range of 10"4-10"6 Pa-s, which allow them to tolerate a CTE mismatch of about 20% among the bonded substrates. The gas tightness of a sample seal was demonstrated in a simple zirconia-based oxygen concentration cell. copyright 1996 Materials Research ...
A carbon-bonded carbon fiber (CBCF) insulation developed for a radioisotope heat source is made from chopped rayon fiber about 10..mu..m long, which is carbonized and bonded with phenolic resin particles. The CBCF is an excellent lightweight insulating material with a nominal density of 0.2 Mg/m/sup 3/ and a thermal conductivity of 0.24 W/(m-K) in vacuum at 2000/sup 0/C. (Several attributes that make CBCF particularly suitable for the heat source application have been identified.) These include light weight, low thermal conductivity, chemical compatibility, and hightemperature capabilities. The mechanical strength of CBCF insulation is satisfactory for the application. The basic fabrication technique was refined to eliminate undesirable large pores and cracks often present in materials fabricated by earlier techniques. Also, processing was scaled up to increase the fabrication rate by a factor of 10. The specific properties of the CBCF were ...
A carbon-bonded carbon fiber (CBCF) insulation developed for a radioisotope heat source is made from chopped rayon fiber about 10 ..mu..m in diameter and 250 ..mu..m long, which is carbonized and bonded with phenolic resin particles. The CBCF is an excellent lightweight insulating material with a nominal density of 0.2 Mg/m/sup 3/ and a thermal conductivity of 0.24 W/(m-K) in vacuum at 2000/sup 0/C. Several attributes that make CBCF particularly suitable for the heat source application have been identified. These include light weight, low thermal conductivity, chemical compatibility, and high-temperature capabilities. The mechanical strength of CBCF insulation is satisfactory for the application. The basic fabrication technique was refined to eliminate undesirable large pores and cracks often present in materials fabricated by earlier techniques. Also, processing was scaled up to increase the fabrication rate by a factor of 10. The specific ...
A general calculation method for the analysis of transmission capability of a long-distance single-core ac submarine cable system is presented. The method is based on modal transformation of voltages and currents in multiconductor cable systems. Using this method, numerical calculations on 500 kV submarine cable systems have been performed with particular reference to the effect of the distance between bonds connecting metallic sheath, outer conductor and armor on the transmission capacity of the system. It was clarified that the transmission capacity of the system increased with decreasing bond intervals. Examination of the current distributions between various conductors along the length showed that this increase of transmission capacity was mainly due to the dispersion of the charging current into the metallic sheath, outer conductor and armoring at the bonding points. Analytical results for the transmission capacities ...
Components of various forest and agricultural residue biomass-including the polyphenolic compounds-were converted into aqueous solution and/or suspension by extraction and digestion. Some biomass components reacted vigorously under alkaline catalysis with formaldehyde and initially showed a high degree of exothermic reaction; however, other components did not react as vigorously under these conditions, indicating that different biomass materials require different methods to obtain optimum reactivity for the copolymerization with phenol. Our primary goal is to develop adhesives capable of producing acceptable bond quality, as determined by the wood products industries` standards, under a reasonable range of gluing conditions. Copolymer resins of phenol, formaldehyde, and biomass components were synthesized and evaluated for gluability of bonding exterior grade structural replaced with chemicals derived from peanut hulls, pecan shell flour, pecan ...
In this paper, bond cleavage reactions are discussed in relation to the softening and solubilization of coal. Were used 9,10-dihydroanthracene (DHA) and 9,10-dihydrophenanthrene (DHP) as models of hydrogen donating compounds in coal, and bibenzyl, 1,2-diethane, benzylphenylether, and 1,5-dibenzylnaphthalene were used as models of bridge structure compounds. They were compared mutually, as to reactivity of coal against DHA and DHP. For the homolytic cleavage of bridges, DHA with excellent radical supplement performance provided excellent hydrogen donating performance. While, for the ipso-position cleavage of bridges, it was found that DHP can act as an effective hydrogen donor. For the reaction between coal and hydrogenated aromatic compounds, cleavage of relatively weak bonds, such as ether linkage and dimethylene linkage, occurred at about 380{degree}C, and hydrogen from DHA or DHP was consumed. On the other hand, the results suggested that ...
Comprehensive investigation has been made into the application of the polymerization hardening by radiation, particularly electron beam, to the composites of polymers and other materials. The report is divided into four parts, namely 1) characteristics and problems of the reaction of curing by radiation polymerization, 2) improvement of the bonding capability of high molecular weight materials, 3) bonding by radiation, and 4) composites made by the impregnation and polymerization hardening of monomers. The first part includes the effects of dose rate, temperature rise during the hardening, the peculiarity of electron beam irradiation at high dose rate, reaction environment and additive effects. Main conclusions are as follows: caution must be taken to the amount of residual double bonds because they affect the quality of hardened polymers; the polymerization hardening reaction at high dose rate cannot be analogized by that ...
A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...
Convolution/superposition (C/S) is regarded as the standard dose calculation method in most modern radiotherapy treatment planning systems. Different implementations of C/S could result in significantly different dose distributions. This paper addresses two major implementation issues associated with collapsed cone C/S: one is how to utilize the tabulated kernels instead of analytical parametrizations and the other is how to deal with voxel size effects. Three methods that utilize the tabulated kernels are presented in this paper. These methods differ in the effective kernels used: the differential kernel (DK), the cumulative kernel (CK) or the cumulative-cumulative kernel (CCK). They result in slightly different computation times but significantly different voxel size effects. Both simulated and real multi-resolution dose calculations are presented. For simulation tests, we use arbitrary kernels and various voxel sizes ...
Elastically deforming thin glass (thickness = 0.13 to 0.80 mm) provides an alternate method of forming a curved glass reflector which can eliminate some of the disadvantages of thicker glass. A concept is described where silvered thin glass is bonded to a steel backing to form a laminate with a reflectance greater than 93%. Subsequent bending of the flat reflector laminate to a concentrating profile produces compressive stresses throughout the glass if the laminate is properly designed. These compressive stresses enhance fracture resistance and the lamination provides protection for the silver. The design of the laminate is outlined for 0.25 and 0.51 mm thickness glass and fabrication procedures are discussed. Thermal/humidity cycling, hail impact, bond strength measurements and reflectance results are presented which demonstrate the performance capabilities of this reflector laminate concept.
Two analytical methods were proposed in this research, coupled electro-thermal finite element (FE) analysis and thermal-mechanical FE analysis, to analyze the mechanical behavior of bonding wire of power module under cyclic power loads, and the International Electrotechnical Commission standard is adopted in conducting a power cycling test. The exterior temperature distribution was measured by an infrared thermometer. Moreover, the junction temperature is calculated from the given thermal impedance of the semiconductor chip, chip power loss, and case temperature. Subsequently, the simulated temperature distribution via electro-thermal FE analysis is compared with experimental results to validate the methodology used in the aforementioned analysis. The analysis shows compressive stress at t...
Nanomaterials are increasingly being used to modify adhesives used in aerospace and materials applications. Improvements in thermal and mechanical properties have been found by incorporation of small amounts of nanosize materials in to such adhesives. However, the introduction of nanomaterials to adhesives used in civil engineering applications is still a new approach which needs to be explored, especially in retrofitting of structures. This paper presents part of an ongoing research to address the effect of adding nanomaterials to modify a thermosetting adhesive used for bonding carbon fibre reinforced polymer (CFRP) composites to concrete members. Vapour grown carbon fiber (VGCF) was chosen to modify the adhesive. Different concentrations of carbon nanofibres PR-24 XT-LHT were adopted fo...
In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 tab.
In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 tab.
In this work it is made a study of the structure and electric properties of chlorate polyethylene (PE-CI) with double and simple bonds obtained by continuous plasma with resistive coupling to 13.5 MHz. The synthesis conditions are power between 10 and 14 W and pressure of (6-7) x 10{sup -2} Torr. The synthesized PE-Cl in that way is soluble in acetone what indicates that probably is formed of short chains and not it shows the generalized inter crossing that is presented in some syntheses by plasma and that it can degrade the electric properties of these polymers. The IR and XPS analysis show the vibration of the C-C, C=C and C-CI bonds. The morphology of the polymer after being dissolved shows a compact and flat configuration. The electric conductivity has an approximately lineal behavior in an interval of 35 to 90% of relative humidity. (Author)
Layer-by-layer formation for #pi#-conjugated azomethine multilayers bonded on substrates was investigated. The multilayers were synthesized using ethanol (EtOH) and dichloromethane (DCM) as reaction solvents. The multilayer characteristics were analyzed using UV-vis absorption spectroscopy, ellipsometric thickness, and atomic force microscopy. The absorption spectra and ellipsometric thicknesses of multilayers formed using EtOH and DCM were compared. The results indicate that EtOH is more suitable than DCM for such layer-by-layer formation. In addition, bandgaps estimated from the absorption edge of multilayers were investigated. The results indicate that the bandgap decreases as the number of benzene rings contained in the molecular chain of the multilayer increases. Also, a multilayer with four benzene rings bonded on a substrate had a bandgap close to that of a polymer with a similar chemical structure.
A cyclic hexapeptide, annomuricatin A (the molecular formula: C27H38N6O7), was isolated from the seeds of Annona muricata. The types and sequence of the amino acids were confirmed by X-ray diffraction analysis. The stereochemistry of the title cyclopeptide was clarified by X-ray crystallographic study. The backbone contains two b-turns, one is type I b-turn and the other is type II, which are stabilized by two transannular 41 backbone hydrogen bonds between Ala and Phe. There are intermolecular hydrogen bonds between the cyclopeptide and the solvent molecules which maintained the steady spatial arrangement in crystal.
The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal's structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.
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.
Abstract Melamine cyanurate (MCA) was utilized as an environmental friendly additive to prepare the nonhalogen flame retardant MCA/Nylon 66 composites by melt blending technique. Because of the strong hydrogen bond interactions and fine interfacial compatibility between MCA and Nylon 66, the resultant even dispersion of MCA filler in polymer matrix leads to the better toughness and strength of MCA/Nylon 66 composites than those of neat Nylon 66. Both Nylon 66 and MCA/Nylon 66 composites exhibit similar -crystalline structure, but the presence of MCA influences the distribution of 1 and 2 crystalline phases in Nylon 66 by inducing its hydrogen-bonded sheet separation. Moreover, the blending of MCA and Nylon 66 increases the crystallization temperature and exothermicity but decreases the the...
Beta-SiAlON powders have been synthesized using natural clay containing kaolin and quartz by carbothermal reduction and nitridation (CRN), then beta-SiAlON bonded corundum multiphase materials have been sintered using the as prepared powders. The results indicated that both the holding time and sintering temperature are relatively significant in accordance with optimal analysis by orthogonal method. Reaction process can be briefly interpreted by means of X-ray Diffraction and Difference Temperature Analysis as well as phase diagram principle. Bending strength and bulk density were measured in SiAlON in situ bonded corundum materials with doped various sintering agents. Furthermore, the relevant mechanical properties and microstructure were discussed in detail.
The EXAFS spectra of the platinum(III) complexes Pt/sub 4/(OAc)/sub 10/(OH)/sub 2/ (I) and Pt/sub 4/ (OAc)/sub 4/(OH)/sub 8/(H/sub 2/O)/sub 2/ (II) have been investigated. It has been found by a curve-fitting method and with the aid of Fourier transformations that the shortest Pt-Pt distances are 2.61 A in complex I and 2.36 and 2.6 A in II. The values of the bond lengths obtained are consistent with the molecular structures proposed for complexes I and II, which contain skeletons of four platinum atoms in the form of a square or a rectangle, as well as with the known literature data on the lengths of Pt-Pt bonds in Pt(III) complexes.
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 impossible.
In the frame of the Primary Wall Module prototype manufacturing for ITER, a consistent R and D phase was conducted in order to identify the industrial allowable tolerances and manufacturing problems which would occur when joining pieces by HIPping process during the PW module manufacturing. The purpose of this development was to give as industrial as possible manufacturing routes for joining together large Stainless Steel or DS-Copper pieces with Stainless Steel tubes and for bonding Beryllium tiles onto a curved component surface. The study concerned surface preparations, allowable gaps and joint geometry, Beryllium tile geometry, Titanium interlayer thickness, etc. This R and D phase also allowed the development and validation of different ultrasonic inspection tools needed for plate-plate, tube-plate, edge to edge plate bonding.
Luminescence properties of SiAlON phosphors codoped with Ca and Yb were investigated by changing the host lattice composition. These modifications of the host lattice were obtained by replacing Si-N bonds by Al-N and Al-O bonds. Their photoluminescence (PL) and cathodoluminescence (CL) properties were measured and compared with each other. PL allows observing the influence of the host lattice modifications by measuring wider areas. CL can excite all luminescent centers, in particular the UV luminescence centers, even if their amount is small. Thus, two additional peaks in the ultraviolet and infrared regions were observed in CL, which is not observed by PL. This work suggests that the combination of PL and CL gives more understanding about the luminescence of SiAlON phosphors, in particular the role of the secondary phases on their properties.
Ceramic coatings with high emission were fabricated on Ti6Al4V alloy by microarc oxidation (MAO) with additive FeSO4 into the electrolyte. The microstructure, chemical composition and chemical state of the coatings were determined by SEM, XRD, EDS and XPS, respectively. The bonding strength between the coating and substrate was studied by tensile strength test, together with the thermal shock resistance of the coating. The results showed that Fe content in the coating layer significantly affect its thermal emissivity. The relative content of Fe in the coatings surface increased at first and then decreased with increasing the concentration of FeSO4 in electrolytes, so does the emissivity of the coatings. The bonding strength became weaker with increasing the concentration of FeSO4. In addit...
This paper presents experimental data and an computational model of the cold spray solid particle impact process. Copper particles impacting onto a polished stainless steel substrate are examined. The high velocity impact causes significant plastic deformation of both the particle and the sub- strate, but no melting is observed. The plastic deformation exposes clean surfaces that, under the high impact pressures, result in significant bond strengths between the particle and substrate. Experimental measurements of the splat and crater sizes compare well with the numerical calculations. It is shown that the crater depth is significant and increases with impact velocity. However, the splat diameter is much less sensitive to the impact velocity. It is also shown that the geometric lengths of the splat and crater scale linearly with the diameter of the impacting particle. It is hoped that the results presented will allow better understanding of the ...
The coherent flucton model is applied to the description of some basic nuclear properties, such as: ground state energies, bond energies, nucleon momentum spectra, and nuclear density distributions. It is shown that the momentum distributions of the nucleons coincide with the Fermi distribution for small momenta and exhibit a well pronounced high energy ''tail'', thus providing inclusive reactions of pi-meson generations in kinematically forbidden areas at nucleon-nucleon collisions. Analytical expressions for the bond energy and nuclear density distribution are derived. An agreement with the experimentally obtained data is achieved. The model features are discussed referring to the processes, characterized mainly by the geometric and dynamic properties of the nuclei, as well as by nuclear density distribution. In particular, ion-ion scattering processes at high energy are considered.
The coherent flucton model is applied to the description of some basic nuclear properties, such as: ground state energies, bond energies, nucleon momentum spectra, and nuclear density distributions. It is shown that the momentum distributions of the nucleons coincide with the Fermi distribution for small momenta and exhibit a well pronounced high energy ''tail'', thus providing inclusive reactions of pi-meson generations in kinematically forbidden areas at nucleon-nucleon collisions. Analytical expressions for the bond energy and nuclear density distribution are derived. An agreement with the experimentally obtained data is achieved. The model features are discussed referring to the processes, characterized mainly by the geometric and dynamic properties of the nuclei, as well as by nuclear density distribution. In particular, ion-ion scattering processes at high energy are considered.
Many high-strain-rate compression measurements (2000 per second) using a specially designed split Hopkinson pressure bar (SHPB) for the plastic-bonded explosive PBX9501 have been reported in the literature, but there is a sparsity of data for a United Kingdom polymer-bonded explosives (PBX) known as EDC37. Both EDC37 and PBX9501 are cyclotetramethylenetetranitramine-based (HMX-based) PBXs with high filler contents. The binder systems for the PBXs are very different: EDC37 consists of a nitroplasticized nitrocellulose and PBX9501 a nitroplasticized ESTANE. PBX9501 exhibits nearly invariant fracture strains of ?1.5?pct as a function of temperature at high strain rates, whereas EDC37 fails at ?2 to 2.5?pct. The maximum compressive strengths for both PBXs were measured at 150?Mpa at ?55??C, bu...
A constitutive model for an explosive consists of three parts: equation of state of reactants, equation of state of products, and reaction rate. In the absence of a good physical theory, models are empirical and based on heuristics. For the HMX based plastic-bonded explosive PBX 9501, three models have previously been calibrated and used in numerical simulations. Here, these three models are compared. They illustrate several generic difficulties with developing and validating models. The available data is insufficient to determine a constitutive model uniquely. Different models can be calibrated to fit the available data yet differ significantly in regions of phase space of importance to applications. Comparing models gives an indication of the uncertainty in model predictions outside the ...
Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...
The effects of the heating rate from 0.6 up to 50{sup o}C.s{sup -1} on the thermoluminescence of {alpha}-Al{sub 2}O{sub 3}:C are very intensive. The material rapidly loses its high sensitivity as the heating rate increases. The peak shape characteristics, peak maximum and full width at half maximum agree only qualitatively with those theoretically predicted. The trapping parameters calculated by the curve fitting method, the peak shape method, the variable heating rate method and the initial rise method, were found to decrease as the heating rate increases. The validity of the results are discussed in the framework of the kinetic models. (author).
The effects of the heating rate from 0.6 up to 50"oC.s"-"1 on the thermoluminescence of #alpha#-Al_2O_3:C are very intensive. The material rapidly loses its high sensitivity as the heating rate increases. The peak shape characteristics, peak maximum and full width at half maximum agree only qualitatively with those theoretically predicted. The trapping parameters calculated by the curve fitting method, the peak shape method, the variable heating rate method and the initial rise method, were found to decrease as the heating rate increases. The validity of the results are discussed in the framework of the kinetic models. (author).
The spectroscopic properties of Pr"3"+ doping two lanthanum chlorotungstate hosts: the orthorhombic LaWO4Cl (1-1) and the hexagonal La3WO4Cl6 (3-1), as well as those of PrWO4Cl and Pr3wO613 have been investigated. The simulations of the energy level schemes are carried out within the crystal field theory frame. Each simulation involves 7 free ion parameters and 14 non-zero crystal field parameters (cfps), corresponding to the C_s point symmetry of the site occupied by the rare earth, in both structures.
The authors make two points. Firstly, they emphasise that while the correlation suggested by the B.C.S. formula, Tsub(c) = 1.14 thetasub(D) exp[-1/n(Esub(F))V], between Tsub(c) and the density of states at the Fermi energy, N(Esub(F)), appears to coincide with the empirical trends, this agreement is purely fortuitous. Such a correlation is due to the influence of N(Esub(F)) on the phonon frequencies, which in turn determine the strength of the electron-phonon coupling. Secondly, they point out that their analysis, which was developed for transition metals, is directly applicable to the A-15 compounds leading to results in agreement with the work of Fradin et al. (Auth.).
Abstract The Jebel Ressas Pb-Zn deposits in North-Eastern Tunisia occur mainly as open-space fillings (lodes, tectonic breccia cements) in bioclastic limestones of the Upper Jurassic Ressas Formation and along the contact of this formation with Triassic rocks. The galena-sphalerite association and their alteration products (cerussite, hemimorphite, hydrozincite) are set within a calcite gangue. The Triassic rocks exhibit enrichments in trace metals, namely Pb, Co and Cd enrichment in clays and Pb, Zn, Cd, Co and Cr enrichment in carbonates, suggesting that the Triassic rocks have interacted with the ore-bearing fluids associated with the Jebel Ressas Pb-Zn deposits. The 18O content of calcite associated with the Pb-Zn mineralization suggests that it is likely to have precipitated from a fl...
Against the background of more severe limitation of particle emission in all application areas of Diesel engines, it is necessary to monitor the particle emission, but also the chemical composition of the particles. The basis of assessing particle emission is formed by gravimetric determination of the particle concentration from exhaust gas diluted with particle-free ambient air, with a maximum temperature of 52 degrees C at the sampling position. While it is already possible, using the part flow dilution system, to take samples locally, previously the subsequent particle determination and characterisation could only be done in a chemical laboratory. For this reason, the C/S particle measurement process was developed as an alternative to gravimetry, which can be used locally, eg: on ships and which makes it possible to determine the particle mass and composition. This process is based on a thermographic carbon and sulphate determination. Comparative investigations ...
Red mud is a waste generated by the aluminum industry, and its disposal is a major problem for this industry. Very rich in iron, it can be used as cheap pigment for colored concrete. The red coloration can be enhanced by calcination in the range of 600 to 800 C. Such operation also transforms the aluminum hydroxides (goethite and boehmite) and clays minerals into pozzolanic admixtures that are able to consume the calcium hydroxide produced by cement hydration. Thus, it is possible to develop a new admixture for concrete: a pozzolanic pigment. The pozzolanic properties of calcined red mud were investigated by monitoring lime consumption of different mixtures of OPC and red mud. The main products of hydration were C-S-H and mono-carboaluminate (C{sub 4}A{bar C}H{sub 11}). A uniform and durable colored concrete was obtained using white cement interground with 11% of burnt red mud.
Peripartal serum alkaline phosphatase activity and lactate dehydrogenase activity were measured in 30 dairy cows in order to examine the association between retained fetal membranes and enzyme activity....Full Text Available
Raman scattering was observed from thin film optical waveguides of cellulose acetate exposed to water vapor from 0% to 100% relative humidity (RH), and from dilute solutions of water in methyl acetate. Spectra of cellulose acetate (CA398, 39.8% acetyl) at low RH and cellulose triacetate (CTA) at low and high RH are consistent with the presence of water monomers that are weakly hydrogen bonded to acetyl C=O groups. Differences between the spectra of water in CA398 and CTA at low RH are attributed to sequential hydrogen bonding involving OH groups in CA398. At high RH, CA398 and CTA (to a lesser extent) show bands attributed to water/water interactions that are similar to those found in sequentially hydrogen-bonded hydrates. CA398 films that are annealed at high temperatures exhibit decreased water/water interactions at high RH. Exposure of CA398 films to D/sub 2/O converts > 90% of all polymer OH groups to OD groups. This ...
To help confirm correct functioning of an epithermal neutron sonde, we measured tightly bonded water content of selected Nevada Test Site (NTS) drill holes. Tuff and alluvium samples were dried overnight at 105/sup 0/C. The samples were then heated for 45 min in a split tube furnace at 700/sup 0/C. The water that came off due to this heating was collected and the amount recorded. The error in this procedure is +- 0.59 wt %. Total water can be calculated for samples from analyses of free and tightly bonded water contents. The maximum error in this calculation is equivalent to the error in determining the more tightly bonded water. Average total water content values have been assigned to geologic units. These values, in weight fraction, are alluvium 0.14 +- .05 and tuff 0.19 +- .04. Further division of the tuff gives values of Rainier Mesa 0.15 +- .01, Paintbrush 0.18 +- .03, Tunnel Beds 0.20 +- .04, and Grouse Canyon 0.29 +- ...
Although silicosis has been studied extensively, the mechanism is still not fully understood. Experiments do provide evidence that the actions of unique properties of silica surface on the cell membrane are the starting point of silicotic processes. This paper summarizes literature on chemical properties of silica surface, and the effect of particle size on silica toxicity. This paper also discusses the ways in which silica dusts are though to interact with the cell membrane, with emphasis on freshness, hydrogen bonding, and free-radical interactions.
This book presents papers on internal combustion engines. Topics considered include the influence of partial suppression of heat rejection on performance and emissions, duothermic combustion, turbochargers made of sintered silicon nitrides, heat flux, low heat rejection engines, exhaust energy recovery, combustion chamber insulation, computerized simulation, heat transfer, friction, hoop stress effects, and bonding ceramics and metals.
Attempts to synthesize YPd[sub 2]Si-type representatives LnPd[sub 2]Al were successful only with Ln triple bond Ce, Pr, Nd. This orthorhombic structure (oP16; space group Pnma) is an ordered variant of the Fe[sub 3]C type. Only NdPd[sub 2]Al undergoes magnetic ordering above 2 K. (orig.)
Sorption of oxidized and reduced forms of molybdosilicic, molybdophosphoric and molybdovanadophosphoric acids by polyurethane foam based on ethers and esters is studied. On the basis of sorption dependence on solution pH, polyurethane foam type and spectral characteristics of sorbates the suggestion has been made that in the polyurethane foam phase there are two main types of sorbent-sorbate interaction: electrostatic (ion-ion) and with hydrogen bond formation: and it is impossible to determine the contribution of every interaction
The objective of this work is to develop sealing materials for solid oxide fuel cells (SOFCs). A suitable sealant must form strong, dense bonds with SOFC components, be chemically and mechanically compatible with the components, be stable at 1000 degrees C in the operating environment of the SOFC (H_2 and H_2O on the anode side, O_2 on the cathode side), and must be nonconductive.
We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.
The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron thermal capacity.
The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron tehrmal capacity.
The authors study the nonuniformity of a-Si:H films obtained by the method of vacuum condensation, with the help of x-ray small-angle scattering (SLS) and transmission electron microscopy. Films of hydrogenated amorphous silicon are greatest interest, because the electronic properties of this material can be controlled by doping. As a result of the compensation of the ruptured bonds, and possibly, effects of melting, the properties of such films are analogous to those of singlecrystalline silicon. XLS enables a quantitative determination of the prameters of the regions of low electron density (RLD) in such objects.
During protein synthesis, aminoacyl-tRNA (aa-tRNA) and release factors 1 and 2 (RF1 and RF2) have to bind at the catalytic center of the ribosome on the 50S subunit where they take part in peptide bond...Full Text Available
Using commercial AZ31 magnesium alloy sheets, we produced a foamable preform sheet containing titanium hydride (TiH{sub 2}) powder through diffusion-bonding and hot-rolling of four cycles. Heating the preform sheets in Ar atmosphere, we obtained closed-cell magnesium alloy foams with various porosities. The foamed specimen at 883 K showed the maximum porosities of 77%. (orig.)
Our studies on K#beta#/K#alpha# X-ray intensity ratios of some of the technologically important 3d-transition metal compounds have been reviewed. Comparison of the experimental results with single-configuration Dirac-Fock calculations provided important information on the valence states of the transition metals in various compounds, which can be helpful in understanding the nature of bonding in the compounds. (author)
Large, complex, high purity ceramic shapes are required by a variety of emerging technologies for their electrical insulation and high temperature strength properties coupled with their refractoriness and purity. Ceramic sealant bonding, using crystalline and vitreous sealant materials, has recently shown significant potential for joining technical ceramics to form the required shapes. Materials and techniques for joining technical ceramics including alumina, magnesia, zirconia and thoria are discussed. (orig.).
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.
Air Force Prototype Thermal Flash Protective Device (TFPD) Goggles were furnished to USAFSAM by the Life Support System Program Office, Aeronautical Systems Division, for determination and evaluation of their eye-type goggles caused stressed areas. The bonding used in the production model eliminated the stressed areas, resulting in increased closed-state optical density, particularly in the upper nasal area of the lens.
We show that usage of elementary submodels is a simple but powerful method to prove theorems, or to simplify proofs in infinite combinatorics. First we introduce all the necessary concepts of logic, then we prove classical theorems using elementary submodels. We also present a new proof of Nash-Williams's theorem on cycle-decomposition of graphs, and finally we obtain some new decomposition theorems by eliminating GCH from some proofs concerning bond-faithful decompositions of graphs.
The authors synthesized a number of esters of stearic acid with polyhydric alcohols and ran comparative tests on aliphatic alcohols to determine their effects on the antiwear properties of the fuel. They conclude that the differences in effectiveness in improving the lubricity by the use of aliphatic alcohols and the full and partial esters of polyhydric alcohols and stearic acid can be explained by the presence of hydroxyl and ester groups close to each other in partial esters. This is reflected in the higher polarity of the partial esters, a higher rate of adsorption, and a stronger bonding of the adsorbed layer to the metal surface.
Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433?479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.
Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.
This report seeks to address the role of hydrogen bonding with Bronsted acids and bases in proton-coupled electron transfer (PCET) as it pertains to concerted or stepwise pathways of quinone (Q) and hydroquinone (QH_2) electrochemistry. This study was performed using a series of techniques that included cyclic voltammetry (CV), digital simulations, computational chemistry and "1H NMR. Hydrogen bonding was inferred by a decrease in diffusion coefficient (D) values measured using a pulsed gradient echo- (PGE-) "1H NMR technique. Changes of 40.8% and 37.9% in D values were only noted after the addition of two equivalents of acetate to 1,4-hydroquinone (1,4-QH_2) and catechol (1,2-QH_2), respectively. In contrast, the D values for the addition of selected amines (pyridine, N,N-diisopropylethylamine and triethylamine) changed only 3.2% on average. Quantum mechanical calculations were conducted to determine the pK_a of all quinoid species to serve as ...
The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.
In order to watch the environment of the construction site of dismantling of the former pipe of releases in sea of Cogema-La Hague, the special and permanent commission of Information near the establishment Cogema of La Hague (C.S.P.I.) asked the association for the radiation monitoring in the West (A.C.R.O.) to realize a specific campaign of measures, on the basis of a protocol accepted by the C.S.P.I.. During the three years of the building work, two significant increases of the concentration in {sup 137}Cs in the marine flora with at most, 9.3 Bq/kg dry, are noticed so be it ten times the concentration that could be measured before the building work begins. We note a net improvement of the situation after the works. The {sup 137}Cs tends finally to disappear. For the sedimentary masses and the sands of beaches, it is outlined no increase of the contamination in {sup 137}Cs (during the works and in posteriori) which translates in a ...
In this study, a range of joining technologies has been investigated for creating attachments between refractory metal and Ni-based superalloys. Refractory materials of interest include Mo-47%Re, T-111, and Ta-10%W. The Ni-based superalloys include Hastelloy X and MarM 247. During joining with conventional processes, these materials have potential for a range of solidification and intermetallic formation-related defects. For this study, three non-conventional joining technologies were evaluated. These included inertia welding, electro-spark deposition (ESD) welding, and magnetic pulse welding (MPW). The developed inertia welding practice closely paralleled that typically used for the refractory metals alloys. Metallographic investigations showed that forging during inertia welding occurred predominantly on the refractory metal side. It was also noted that at least some degree of forging on the Ni-based superalloy side of the joint was necessary to achieve consistent ...
ActiveActivator (Ac) elements undergo mutations to become nonautonomous Dissociation (Ds) elements at a low frequency. To understand...Full Text Available
Four low activation alloy classes, two austenitic and two ferritic, have been incorporated into the MOTA-1B experiment in the FFTF reactor to provide an early assessment of the suitability of such alloys for reactor service.
The in vitro activity of teicoplanin, a new antibiotic related to vancomycin, was determined against 456 gram-positive cocci. The activity of teicoplanin in comparison with that of vancomycin was similar...Full Text Available
1. Proteolytic enzyme activities were examined in the pancreas of zinc-deficient and control rats. 2. No change was detected in trypsin-plus-chymotrypsin activity. 3. Carboxypeptidase activity was...Full Text Available
Suppressed IL-12 production and maladaptive immune activation, both of which are ameliorated by successful highly active antiretroviral therapy (HAART), are thought to play important roles in the immunopathogenesis...Full Text Available
In addition to inducing new transcriptional activities that lead within a few hours to the accumulation of heat shock proteins (Hsps), heat shock activates within minutes the major signaling transduction...Full Text Available
Information is presented concerning reactor research activities; isotope geology; NERC radiocarbon laboratory; teaching activities; and reactor operation.
Bis(imido) uranium(VI) trans- and cis-dichalcogenate complexes with the general formula U(NtBu)2(EAr)2(OPPh3)2 (EAr = O-2-tBuC6H4, SPh, SePh, TePh) and U(NtBu)2(EAr)2(R2bpy) (EAr = SPh, SePh, TePh) (R2bpy = 4,4'-disubstituted-2,2'-bipyridyl, R = Me, tBu) have been prepared. This family of complexes includes the first reported monodentate selenolate and tellurolate complexes of uranium(VI). Density functional theory calculations show that covalent interactions in the U-E bond increase in the trans-dichalcogenate series U(NtBu)2(EAr)2(OPPh3)2 as the size of the chalcogenate donor increases and that both 5f and 6d orbital participation is important in the M-E bonds of U-S, U-Se, and U-Te complexes.
A variety of special regulations exist in Costa Rica for registration and transport of hazardous substances; these set the requirements for entry into the country and the security of transport units. However, the regulations mentioned no specific rules for storing hazardous substances. Tax deposits have been the initial place where are stored the substances that enter the country.The creation of basic rules that would be regulating the storage of hazardous substances has taken place through the analysis of regulations and national and international laws governing hazardous substances. The regulatory domain that currently exists will be established with a field research in fiscal deposits in the metropolitan area. The storage and security measures that have been used by the personnel handling the substances will be identified to be putting the reality with that the hazardous substances have been handled in tax deposits. A rule base for the storage of hazardous substances in tax deposits ...
This paper highlights some of the conceptual and methodological problems involved in the compilation of statistics on economic aid to developing countries. Figures from the OECD Development Assistance Committee (DAC) and the Organization of Petroleum Exporting Countries (OPEC) member states are compared to point up problems in the interpretation of the statistics. One area of concern is the listing of funds provided by financial institutions located in the DAC countries. OPEC capital often forms a majority of such institutions; yet the figures do not measure the OPEC share of the capital nor its share of the risk borne in its provision of the loans. Another area of concern is bond purchases and subscriptions to syndicated loans by OPEC financial institutions in the financial markets of DAC countries. The flows in these instances, originating from OPEC sources, are merely channeled through the DAC financial markets. Based on origin and risk (borne exclusively by ...
Solid recycling of AZ31 Mg alloy with vapor deposition coating layer of high purity Mg was evaluated. In the open die forging experiments, two AZ31 Mg alloy specimens with the pure Mg layer were sufficiently bonded by forging at 673 K. Furthermore, the Al and Zn of the AZ31 substrate diffused up to the center of the pure Mg layer. By the theoretical analysis, it is suggested that the grain boundary diffusion enhanced by grain refinement due to hot forging contributes to the solid state bonding of the specimens. Also, the solid recycled specimen was fabricated from the AZ31 Mg substrate with pure Mg layer by hot extrusion at 673 K. The solid recycled specimen showed almost the same tensile properties as the virgin extruded specimen. This is probably related not only to the grain boundary diffusion but also severe plastic deformation by hot extrusion. (orig.)
Three new rare earth metal-rich compounds, Gd_4NiTe_2, and Er_5M_2Te_2 (M=Ni, Co), were synthesized in direct reactions using R, R_3M, and R_2Te_3 (R=Gd, Er; M=Co, Ni) and single-crystal structures were determined. Gd_4NiTe_2 is orthorhombic and crystallizes in space group Pnma with four formula units per cell. Lattice parameters at 110(2)K are a=15.548(9), b=4.113(2), c=11.7521(15)A. Er_5Ni_2Te_2 and Er_5Co_2Te_2 are isostructural and crystallize in the orthorhombic space group Cmcm with two formula units per cell. Lattice parameters at 110(2)K are a=3.934(1), b=14.811(4), c=14.709(4)A, and a=3.898(1), b=14.920(3), c=14.889(3)A, respectively. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.
New palladium(II) and platinum(II) complexes of saccharinate (sac), trans-[Pd(py)"2(sac)"2] (1), cis-[Pt(py)"2(sac)"2] (2), trans-[Pd(3-acpy)"2(sac)"2] (3) and cis-[Pt(3-acpy)"2(sac)"2] (4) (py=pyridine and 3-acpy=3-acetylpyridine) have been synthesized. Elemental analysis, UV-Vis, IR, NMR and TG/DTA characterizations have been carried out. The structures of 1-4 were determined by X-ray diffraction. The palladium(II) and platinum(II) ions are coordinated by two N-bonded sac ligands, and two nitrogen atoms of py or 3-acpy, forming a distorted square-planar geometry. The palladium(II) complexes (1 and 3) are trans isomers, while the platinum(II) complexes (2 and 4) are cis isomers. The mononuclear species in the solid state are connected by weak intermolecular C-H...O hydrogen bonds, C-H...@...
A route, as followed by ECN, is described for development of SiN{sub x}:H layers deposited by microwave (MW) PECVD, which are suited for surface and bulk passivation of mc-Si solar cells. First research was focussed on surface passivation and this resulted in the development of SiN layers that were Si-rich and where the hydrogen is mainly bonded to silicon atoms. A disadvantage of such Si-rich layers is their large absorption at shorter wavelengths, which make them unsuitable as front side AR coatings. Further, these layers appeared to be less suitable for bulk passivation. The next step therefore was the development of SiN layers for bulk passivation. For good bulk passivation of solar cells by means of a thermal anneal of the SiN layers, we found that SiN layers with high N-H bonding concentrations are required. Fine-tuning of the deposition conditions of these layers, finally resulted in the development of a SiN layer type which combines the ...
Monte-Carlo simulations of 2-MeV #alpha#-particle channeling in Si_1_-_xSn_x alloys with 0#<=#x#<=#1 have been performed. The simulations are compared with measured channeling-angular scans for strained Si_0_._9_5Sn_0_._0_5 layers grown by molecular beam epitaxy (MBE). Agreement between simulated and measured angular scans can only be achieved if we assume a deviation of the crystal structure from the ideal one. This deviation can be attributed to a mosaic structure in the films and to an atomic-scale distortion of the crystal lattice due to an expected difference in the bond lengths between the Si-Si, Si-Sn and Sn-Sn atoms (such a difference in bond lengths has been observed in the epitaxial Si_1_-_xGe_x system). The contributions from both of these imperfections are estimated and discussed.
One salt and two Cu(II) complexes (H2hsm)(ox), 1, [Cu(hsm)(ox)], 2, and [Cu(hsm)(ox)H2O], 3, have been synthesized and X-ray characterized (hsm is histamine and ox2? is the oxalate dianion). Starting from the prochiral tetracoordinated complex 2, pentacoordinated complex 3 crystallizes as a racemic mixture of the enantiomeric ? and ? isomers, in space group P21/c. In all cases, the side chain of the hsm group is gauche, allowing the formation of strong hydrogen bonds in the salt 1, and to chelate the metal center in complexes 2 and 3. The combination hsm/ox seems to favor the formation of 2D supramolecular structures (planes or wavy planes), through efficient networks of N?H???O hydrogen bonds. Cell parameters: 1, P21/c, a?=?6.260 (2) ?, b?=?11.500 (4) ?, c?=?12.525 (4) ?, ??=?104.047 (17)...
Private transfers of capital from the Organization of Petroleum Exporting Countries (OPEC) to developing countries are intended to complement private transfers from the Organization of Economic Cooperation and Development (OECD) by tapping the emerging capital markets in the Middle East. Developing countries will be able to diversify their borrowing and gain additional financing. The long-term investment of oil-producing countries will benefit and the pressures on the banking institutions to recycle funds will lessen. Middle East capital markets include international loans and international bonds. The history of the Kuwaiti dinar (KD) bond market, with its advantages for both investors and borrowers, illustrates the successful development of a capital market. Financial intermediation needs to be improved, however, if the Middle East is to become efficient enough to compete with the Euromarkets. Efficiency will require different measures and ...
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. ...
Glasses in the system (1 - x) [29Na2O- 4Al2O3- 67B2O3]- xZnO (0 ? x ? 35 mol%), have been prepared by the melt quenching technique. Elastic properties, X-ray and FT-IR spectroscopic studies have been employed to study the role of ZnO on the structure of the investigated glass system. Elastic properties and Debye temperature have been investigated using sound wave velocity measurements at 4 MHz at room temperature. The results showed that the density increases and the molar volume decreases while both sound velocities and the determined glass transition temperatures decrease with increase in x. X-ray and infrared spectra of the glasses reveal that the borate network consists of diborate units and is affected by the increase in the concentration of ZnO content. These results are interpreted in terms of the decrease in the N4 values (fraction of tetrahedral coordinated boron atoms), and substitution of longer bond lengths of Zn-O in place of shorter B-O ...
The oxidation conditions were investigated for obtaining a higher productivity in the production of high strength carbon fiber from polyacrylonitrile (PAN). The effect of incorporation of 2 % comonomer such as methyl acrylate (MA), acrylate containing carboxylate (SA), acrylamide (AAm), and hydroxyethyl acrylate (HEA) on the oxidation conditions was also investigated. The measurement of DSC and bonded oxygen content revealed that the most effective comonomer for promoting the cyclization of nitril group and the bonding of oxygen was found to be SA, and the second best was AAm. The measurement of tensile strength of carbon fiber showed that the copolymer of SA, HEA, and MA gave a high strength fiber. It took a long time to oxidize the carbon fiber when it was oxidized at a temperature on which double layer structure was not formed. To shorten the production time, a method of combining the upper limit oxidation in which the double layer structure ...
EPR and FT-IR absorption measurements have been performed for xCuO.(100-x)[2Bi2O3.B2O3] glass system, with 0?x?50 mol%. The mode in which the addition of the copper ions influences the structure of 2Bi2O3.B2O3 glass matrix was analyzed. The EPR absorption spectra revealed the presence in the glass structure of Cu2+ ions in axially distorted octahedral environments. EPR data pointed out the simultaneous presence of Cu2+ and Cu+ ionic species in the glasses with x?5 mol%. For x>10 mol%, the Cu2+ ions participate in the superexchange magnetic interactions, which increase with CuO content. The FT-IR spectra showed the presence of some bands that are assigned to vibrations of Bi-O bonds from BiO3 pyramidal and BiO6 octahedral units and B-O bonds from BO3 and BO4 units. The data obtained by these measurements reveal the structural changes in the 2Bi2O3.B2O3 glass matrix by controlled doping of CuO.
The computer aided coal structure construction system is proposed, and a computational construction example is presented. The coal structure construction engine of this system fabricates molecular structure by connecting fragments sequentially inputted through a user interface. The best structure candidate is determined using construction knowledge and partial energy evaluation every addition of one fragment, and this process is subsequently repeated. The structure evaluation engine analyzes the 3-D conformation candidate by molecular dynamics, and evaluates the conformation by determining the energy value of an optimum structure. As an example, this system was applied to construction of coal molecular structure based on the actual data of partial structure composed of 26 structures from 2l kinds of aromatic cluster structures, 27 bonds from 2 kinds of bridged bonds, and 16 groups from 2 kinds of terminal substitutional groups. As a result, ...
Having recently discovered that polynuclear heteroaromatic nitrogen compounds can be selectively reduced only at the nitrogen containing ring, we have now turned our attention towards the cleavage of the carbon nitrogen bonds in this reduced ring. Highlights for this reporting period are: (1) Studies with the 50% nickel oxide catalyst clearly show that 1,2,3,4-tetrahydroquinoline(THQ) provides approximately 20% more liquid product that does quinoline. Thus a first step selective hydrogenation to 1,2,3,4-THQ would enhance the overall HDN reaction to provide a more substantial conversion to substituted benzene and aniline derivatives. (2) The dramatic effect of the nitrogen atom is to inhibit aromatic ring hydrogenation and, to some extent, carbon-carbon bond hydrogenolysis reactivity. This is shown with proplybenzene as the substrate, where only methane gas is produced in the HDN reaction with the 50% nickel oxide catalyst. (3) The HDN reaction ...
We report here a new approach to introduce the effect of chemisorption in the Monte-Carlo simulation procedure for studying the segregation behaviour in bimetallic nanoparticles at low pressures. A coordination-dependent pair interaction energy is constructed in terms of partial bond energies and the exchange energy where the partial bond energy can be empirically calculated from the experimental values of dimer energy, the pressure-dependent surface energy and the bulk cohesive energy of the constituent metals. The advantage of this procedure is the ability to estimate the pressure-dependent surface composition of the nanoparticles. The method has been applied to oxygen-adsorbed Pd-Ag systems; and it is found that while Ag segregate in clean particles, at higher oxygen pressures Pd atoms segregate to the surface. The present technique has been argued to be suitable for higher pressures (>10-5Torr) when coverage cannot be accurately ...
New methodologies for fabrication of multilevel packaging, particularly for RF signal analysis, are investigated. A new method for ``gluing'' silicon wafers together with a Self Assembled Monolayers (SAMs) based nanoglue are discussed, as are methods to enable its use with nonconforming wafers. Results of bond strength measurements as a function of temperature and process will be presented. Surface area bonded is characterized by infrared (IR) imaging. We will also present a method of inducing self-alignment between whole silicon wafers with micrometer precision. This represents a qualitative departure from alignment of millimeter-sized object as has been previously demonstrated. Self-alignment is induced by creating hydrophilic and hydrophobic regions on the wafers and using capillary forces of water in these regions to force the wafers to align with little to no outside influence. Results are characterized by IR imaging. Physical ideas that ...
A preliminary chemical characterization is presented of phosphate-free aminolipids isolation from Chlorobium limicola f. thiosulfatophilum. The lipid contains no phosphorus, glycerol, sugar, ornithine, or lysine. Ultraviolet absorption and fluorescence spectra indicate that the amino moiety of the lipid is an aromatic heterocyclic compound. Infrared spectra indicate that the lipid is a secondary or tertiary amide, and gas chromatograhic analysis of the hydrolyzed lipid shows that for each 1100 g of lipid, 1 mol of myristic acid (C/sub 14:0/) is linked in an amide bond. Acid hydrolysis of the lipid yields two fluorescent substances, A (ninhydrine positive) and B (negative), in addition to myristic acid. Proton nuclear magnetic resonance (NMR) studies indicate that substance A contains a butyl groups attached to a conjugated ring carbon, two equivalent ethyl groups attached to one or two nitrogen atoms, and two downfield protons (8.4 ppm), perhaps attached to a ring ...
The purpose of this study was to assess the agreement between rectal temperature and infrared emission detection (IRED). The specificity and sensitivity, the positive predictive value and the negative predictive value were calculated. It was a prospective, observational and unblinded study. Thermoscan-pro-1 was used to collect pairs of data in 41 patients, all hospitalised on an acute geriatric ward during a 4-month period. 41% of the patients were febrile. The 'bias' between rectal and tympanic measurement (left ear) was -0.64 degree C (d) and the standard deviation 0.58 degree C (s). The '95% Confidence Interval' for the bias was -0.82 degree C and -0.46 degree C. The '95% limits of agreement' between the rectal measurement and the tympanic measurement (left ear) was -1.78 degrees C and 0.50 degree C. Regression analysis taught us that bias was increasing with increasing temperature. If we take into account one measurement with the IRED ear ...
Superconductivity of binary alloys spanning the A-15 compounds V_3Si, V_3Ge, V_3Ga, and V_3Al and the pseudobinary derivatives of these stoichiometric compounds was surveyed by studying samples prepared by rf-sputtering from alloy cathodes. The possible formation of the hypothetical A-15 binaries ''V_3P,'' ''V_3B,'' and ''V_3C'' and their pseudobinary formation with V_3Si was also explored. Efforts to form these hypothetical alloys were not successful. The T/sub c/'s were measured resistively and the structure and lattice constants were determined by x-ray analysis. A maximum T/sub c/ of 11.7"0K was obtained for A-15 V_3Al, and the importance of a suitable deposition temperature and high sputtering pressures was examined. It is proposed that large variations of T/sub c/ among pseudobinary alloys imply a rapid variation of the density of states at the Fermi level.
Continuous metallic glass ribbons were produced by mejans of liquid-quenching at rates >10/sup 50/C/s. The ribbons, typically 30 ..mu..m thick and 1 to 2 mm wide, were determined to be glassy by X-ray diffraction (XRD) employing CuK..cap alpha.. and MoK..cap alpha.. radiation. Mechanical properties of the as-quenched product were determined by measurements of hardness, tensile strength and Young's modulus. The Vicker's diamond pyramid microhardness (H/sub V/) was measured on epoxy mounted samples using a Lietz Miniload instrument with a 100 g load. Tensile tests were conducted in an Instron machine using specimens which were hand-polished to produce smooth, parallel sides. Young's modulus (E) is given by the relationship rho V/sub E/sup 2//. V/sub E/, the velocity of extensional mode waves, was measured by the pulse-echo technique using a Panametrics Intervalometer and glass density, rho, was obtained by the liquid immersion method. ...
Ga"+ focused ion beam (FIB) patterning was used to structure highly oriented pyrolytic graphite surfaces with square, periodic arrays of amorphous carbon defects (mesh sizes: 300 nm-2 #mu#m). Controlled oxygen etching of these arrays leads to matrices of uniform, orientationally aligned, nm-sized, hexagonal holes. The properties of the resulting hole assembly (hole depths and lateral hole dimensions) have been investigated by means of atomic force microscopy, scanning electron microscopy and FIB sectioning. The hole dimensions and uniformity both depend on the FIB parameters and etching conditions. Etching temperatures from 500 to 700 deg. C were applied. Initial etch rates of up to 10"6 Cs"-"1 per individual hole were observed when using oxygen pressures of 200 mbar. For an etch temperature of 590 deg. C the rate of etching of individual holes was found to depend measurably on the inter-hole separation. This confirms that the associated ...
Recent work has indicated that the suppression of boron transient enhanced diffusion (TED) in carbon-rich Si is caused by nonequilibrium Si point defect concentrations, specifically the undersaturation of Si self-interstitials, that result from the coupled out-diffusion of carbon interstitials via the kick-out and Frank--Turnbull reactions. This study of boron TED reduction in Si_1_-_x_-_yGe_xC_y during 750"oC inert anneals has revealed that the use of an additional reaction that further reduces the Si self-interstitial concentration is necessary to describe accurately the time evolved diffusion behavior of boron. In this article, we present a comprehensive model which includes #left brace#311#right brace# defects, boron-interstitial clusters, a carbon kick-out reaction, a carbon Frank--Turnbull reaction, and a carbon interstitial-carbon substitutional (C_iC_s) pairing reaction that successfully simulates carbon suppression of boron TED at 750"oC for anneal times ...
The study had three objectives: to collect information that explain the impact of the Aube storage center (C.S.A.) on environment and allow to evaluate the consequences for man, secondly, to build a referential for any future inquiry or follow-up, thirdly, to allow to the local commission of information to elaborate an information towards the side residents and local actors that take into account their questions. Trees, waters, sediments, soils, grass, products of gardens and vineyards were the object of sampling, their dosimetry is given in this report. Other dosimetry measures were made along the nuclear site and the results are equally in this report. (N.C.)
A detection theory is developed for point-contact metal-oxide-metal (MOM) systems. A system with heterogeneous oxide strongly bonded to the substrate is considered. It is shown that the form of the functional connection between the barrier heights and the ultimate compressive strength of the oxide has no substantial influence on the voltage-current characteristics of the system. Quantitative analysis indicates that a MOM system can behave as a tunnel diode and as a diode with a Schottky barrier. The model permits the determination of the optimum construction of long-life detectors based on MOM point-contacts.-
Research continued on the synthesis of model compounds for coal liquefaction research. This report covers the actual laboratory investigation performed during the reporting period in order to attain the stated objective of the project, viz, the synthesis of a model compound containing tetrahydronaphthalene, naphthalene and phenyl moieties linked by methylene, ethylene and ether bonds. The overall synthetic approach aimed at obtaining the end product has been broken down into three major steps that involve the synthesis of three key reactive intermediates. These are: (1) 3,5-dimethyl-5-bromobenzyl chloride, (2) 1-chloromethylene-2-hydroxytetralin and (3) 2-chloromethylene-1-hydroxynaphthalene.
Syntheses of all five of the singly labeled (/sup 15/N)adenines are now provided. The presence or absence of two-bond /sup 15/N-/sup 1/H spin couplings in their /sup 1/H NMR spectra confirm the location of the isotope in each case. The fragmentation patterns in their mass spectra are indicative of the sequential losses of HCN units and of CH/sub 2/N/sub 2/ from adenine upon electron impact.
A high pressure waterjet has been used to study the surface roughening of superalloys as preparation for thermal spraying. Designed experiments for Mar-M 509 and Rene 80 were carried out for the effects of jet pressure and mass of water delivered per unit area. Comparisons were made of several superalloys in terms of erosion, surface roughness and topology. The mechanism of jet erosion of Rene 80 was studied in relation to its metallurgical microstructure. An MCrAlY coating by shrouded plasma spray was made over a waterjet prepared surface with excellent bonding and having an ideally clean interface.
A comprehensive Scanning Tunneling Microscopy (STM) study of submonolayer nucleation and growth of 2D islands in Ag/Ag(100) homoepitaxy for temperature between 295K and 370K is presented. The initial stages of multilayer kinetic roughening is also studied. Analysis of an appropriate model for metal (100) homoepitaxy, produces estimates of 350 meV for the terrace diffusion barrier, 400 meV for the adatom bond energy, and 25 meV for the additional Ehrlich-Schwoebel step-edge barrier.
Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.
Polymerizing effects of high energy radiation has been found suitable for preparation of wood-polymer composites. In the present work after evaluating polymer products that have been obtained by irradiation method, wood-polymer composites have been prepared by in situ polymerization of vinyl acetate, acrylic acid and acrylic acid/styrene mixture using two samples of Iranian hardwoods, Beech and Hornbeam. These woods and their composites have been tested for their physical and mechanical properties. The results have shown that chemical bonding between polymer and the cell wall component lead to better strength properties in the composites. (author).
Using the slow electrons spectrometer one can get information on the surface structure, its element composition, chemical bonds, adsorption phenomena, electron state density and surface oscillation. We have developed the methods and created the apparatus that makes it possible to investigate the electron backscattering by solid surface. We have studied the electron scattering by the polycrystalline and monocrystalline. GaAs surface in the energy range of 0 to 9 eV. The FWHM of electron energy distribution function was 70 meV. (author).
New data about the structure of high-temperature resistant metalloceramic plasma sprayed coatings in micro and nano areas are presented. Application of the new instrumental methods: transmission electron microscopy combined with selected area electron diffraction mode is possible to obtain these data. The first layer in Ni based metallic bond coat shows nanocrystalline structure. External ceramic layer based on stabilised ZrO_2 is polycrystalline and contains both cubic and tetragonal crystalline phases. Local inhomogeneities in coatings phase composition are determined. (author)
To expand the information base on molecular accessibility in solvent swelled coal, Argonne Premium Coal Samples (APCS) were swelled in polar, basic solvents before and after moisture loss and upon air oxidation. So far studies have been reported on the changes in pore size distribution as a function of temperature when polar basic swelling solvents are used. Additional studies employing EPR spin probe techniques performed on the breaking up of the hydrogen bonding between bedding planes were later confirmed by magnetic resonance imaging at Argonne National Lab and the University of Illinois.
A method of assembling two or more parts together that may be metal, ceramic, metal and ceramic parts, or parts that have different CTE. Individual parts are formed and sintered from particles that leave a network of interconnecting porosity in each sintered part. The separate parts are assembled together and then a fill material is infiltrated into the assembled, sintered parts using a method such as capillary action, gravity, and/or pressure. The assembly is then cured to yield a bonded and fully or near-fully dense part that has the desired physical and mechanical properties for the part's intended purpose. Structural strength may be added to the parts by the inclusion of fibrous materials.
Metalloid cluster compounds of group 14 of the general formulae EnRm with n > m (E = Si, Ge, Sn, Pb; R = ligand), where naked as well as ligand bound tetrel atoms are present, represent a novel class of cluster compounds in group 14 chemistry and can be seen as intermediates on the way to the elemental state. Therefore, interesting properties are expected for these compounds, which might complement results from nanotechnology. In this article, first results for germanium are discussed, together with novel build-up reactions on the way to novel materials based on metalloid cluster compounds. GRAPHICAL ABSTRACT[image omitted
We have undertaken a program which measures the photoelectron spectra of negative-ion beams. This experiment has afforded us direct information about these ions and the corresponding neutral radicals. Several ions and numerous radicals are believed to be crucial intermediates in combustion processes and flame chemistry. We have fabricated a spectrometer which directly measures electron affinities (EA). Knowledge of the EA and gas-phase acidity of a radical has enabled us to deduce several radical heats of formation and bond strengths.
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.
Free Electron Laser (FEL) with wide wavelength tunability has been developed and used for various applications. We report the structural-changes in P-ion-implanted diamond when we can achieve resonant excitation of the vibrations of specific bonds in the lattice of target (P-C) by using FEL. The change of property was analyzed by SIMS and Raman spectroscopy. After 5.8 #mu#m-FEL irradiation, we observed the crystallization of amorphous structure which was induced by P-ion-implantation. These results indicated the FEL annealing of diamond at room temperature. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)
A series of short articles discusses: use of a chemically bonded ceramic composite liner, WellerDensit, to protect the steel surface of pulverizer classifier cones; use of a fused cast basalt liners developed by Abresist Corp. in pipes for transporting coal and ash; a survey completed by the National Energy Technology Laboratory to identify causes of outages and other concerns expressed by PC and FBC boiler operators; and Temp-Age, Early Visc-Age and Modern Visc-Age systems for controlling the viscosity of heavy fuel oil to maintain proper combustion. 7 figs.
This paper describes the study of kinetically controlled enzymatic coupling of N- and O-glycopeptide fragments using subtilisin BPN' and two of its variants developed for use in high concentrations of dimethylformamide and in aqueous solution, respectively. Glycosyl amino acids were exploited as the P[sub 1], P[sub 2], P[sub 3], P'[sub 1], P'[sub 2], or P'[sub 3] residue in the enzymatic coupling. Glycosyltransferase-mediated glycosylation of the glycopeptide fragments obtained prior to or after enzymatic peptide bond formation is demonstrated. 19 refs., 5 figs., 1 tab.
The effect of a mineralizer, magnesium silicate, on the nitridation of compacts consisting of silicon, clay, silica and silicon carbide was examined in terms of their reaction depth, density, porosity, phase composition and microstructure. It was found that addition of mineralizer slowed down the nitridation significantly. The kinetic process of isothermal nitridation in the presence of magnesium silicate obeys a parabolic rate law. Otherwise it obeys a linear rate law. The results suggest that nitrogen transportation is the limiting step during nitridation when mineralizer is added. The mechanism of nitridation is discussed in terms of phase composition and microstructure. Copyright (2000) The Australian Ceramic Society
Spectra of e.p.r. radicals in cellulose and timber gamma-irradiated at 77 and 300 K have been measured. Radiation yields and the kinetics of radicals accumulation have been studied. The effect of ionizing radiation on cellulose is the appearance of radicals resulting from rupture of C-H bonds in positions 1 and 4. Timber, additionally, forms ''lignin'' radicals. A mechanism of cellulose and timber radiolysis is suggested. ''Lignin''-type compounds present in timber protect polysaccharides from radiation-induced destruction.
Molar enthalpies of sublimation of 1,2,4-, 1,2,3-, and 1,3,5-tri-hydroxy-benzene, were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. The molar enthalpies of fusion and molar heat capacities of these compounds were measured by DSC. The measured data sets of vaporization, sublimation and fusion enthalpies were checked for internal consistency. Strength of the inter- and intra-molecular hydrogen bonding in di- and tri-hydroxy-benzenes have been assessed.
Crystal structure of monoclinic telluric acid ammonium phosphate (TAAP) has been studied by an X-ray diffraction method in the paraelectric phase at 333 K and in the ferroelectric phase at room temperature. It is confirmed that the space group in the paraelectric phase is P2/n. Comparison of the results between the two temperatures suggests that the plane which is made by the PO{sub 4} tetrahedron linked by hydrogen bonds has an important role for the ferroelectric phase transition. This plane is almost parallel to the direction of spontaneous polarization.
ObjectivesObjectives Not AvailableDescriptionTo determine the effects of water penetration on the burst strength of filament wound composite pipes which have been damaged by impact and then subjected to long term pressurisation with sea water. ~%~ To monitor and characterise the damage and effects of sea water penetration using ultrasonic NDT. To determine the burst strength of bonded composite pipe joints with and without defects and to see whether the defects can be detected using ultrasonic NDT. [continued...
The nine title compounds were prepared from the elements by arc-melting and subsequent heat treatment in resistance and high-frequency furnaces. The crystal structure of these isotypic compounds was determined for YPdSi from single-crystal X-ray diffractometer data: Pmmn, a = 430.8(1) pm, b = 1391.2(1) pm, c = 743.1(1) pm, Z = 8, R = 0.024 for 417 structure factors and 40 variable parameters. The crystal structures of the isotypic compounds GdPdSi and ErPdSi were also refined from single-crystal data. The structure is of a new type. It consists of condensed, six-membered rings of alternating palladium and silicon atoms with Pd-Si bond distances varying between 249.6 and 258.8 pm. These two-dimensionally infinite nets are connected to each other via weak Pd-Si and Si-Si bonds with bond distances of 276.3 and 259.5 pm. The rare earth atoms are situated above and below the six-membered palladium-silicon rings in a manner as it ...
A method for detecting electrons emitted as secondary particles by photon incidence to a specimen, as well as a method of using the photons emitted by electron incidence as detecting particles are explained. Pd-Si(100)2{times}1 system is adopted for a case study of using photo-electron spectroscopy where synchrotron emitted light in soft X-ray region is used as the incident light. Pd atoms are deposited little by little on clean Si surface to investigate the electron structure of the surface, and the interface electron structure after bonded formation of Pd(thin film)-Si(substrate) is estimated. Radiation soft X-ray spectroscopy is employed to observe the real state of the bonded interface of Pd(thin film)-Si(substrate) prepared by depositing Pd film in a short period of time. In the case of radiation soft X-ray spectroscopy with electron beam excitation, bonded system of thin film and substrate can be investigated by ...
The General-Purpose Heat Source (GPHS), an improved radioisotope heat source, employs a unique thermal insulation material, carbon-bonded carbon fiber (CBCF), to protect the fuel capsule and to help achieve the highest possible specific power. The CBCF insulation is made from chopped rayon fiber about 10 ..mu..m in diameter and 250 ..mu..m long, which is carbonized and bonded with phenolic resin particles. The CBCF shapes, both tubes and plates, are formed in a multiple molding facility by vacuum molding a water slurry of the carbonized chopped-rayon fiber (54 wt %) and phenolic resin (46 wt %). The molded shapes are subsequently dried and cured. Final carbonization of the resin is at 1600/sup 0/C. Machining to close tolerances (+-0.08 mm) is accomplished by conventional tooling and fixturing. The resulting material is an excellent lightweight insulation with a nominal density of 0.2 Mg/m/sup 3/ and a thermal conductivity of 0.24 W(m.K) in ...
Glabridin, an active constituent of Glycyrrhiza glabra roots, was found to be active against both yeast and filamentous fungi. Glabridin also showed resistance modifying activity against drug resistant mutants of Candida albicans at a minimum inhibitory concentration of 31.25-250 g/mL. Although the compound was reported earlier to be active against Candida albicans, but this is the first report of its activity against drug resistant mutants. Copyright Copyright 2009 John Wiley & Sons, Ltd.
In this study attempts have been made to utilize biomass residues in a proper and efficient way. As a part of these attempts activated charcoal has been produced from coconut shell. The effects of temperature, time and impregnation ratio on activation and yield have also been studied. Experimental results show that higher temperature produces better activation but lower yield. The optimum values for activation time and impregnation ratio in producing activated charcoal were 50 min and 40%, respectively, at 600{sup o}C. (Author)
As with mammalian enzymes, green crab (Scylla serrata) alkaline phosphatase can be activated by Mg2+ through a time-dependent course. The activation is mainly a Vmax effect. Tsou's method was used to study the kinetic course of activation. The results show that the enzyme was activated by a complexing scheme that had not been previously identified: the enzyme first reversibly and quickly binds Mg2+ and then undergoes a slow reversible course to activation, with a relatively high activation energy (78 +/- 4 kJ/mol) and a slow conformational change. The activation reaction is a single molecule reaction, and the apparent activation rate constant is independent of Mg2+ concentration if the concentration is sufficiently high. The microscopic rate constants of activation and the association constant were ...
The catalytic activities of various iron ores were investigated in the search for a high-activity catalyst for direct coal liquefaction. Laterite ores were shown to have a high catalytic activity in this process. Comparison of the ore with red mud in hydrocracking of 1-methylnaphthalene showed that the ore had higher activity in the hydrogenation of aromatic rings and in hydrocracking of alkylaromatics.
BackgroundActivation of the signal transducer and activator of transcription 3 (STAT3) within antigen presenting cells (APCs) is linked to abnormal APCs differentiation and function....Full Text Available
Current concepts of the pathogenesis of sarcoidosis suggest that the expanded numbers of activated T-helper/inducer cells at sites of disease activity result, at least in part, from their proliferation...Full Text Available
The patterns of nitrate reductase activity (NRA) in the leaves (in vivo assay) and root nodule nitrogenase activity (C2H2 reduction) were investigated throughout...Full Text Available
Lifetime exposure to physical activity is an important construct for evaluating associations between physical activity and disease outcomes, given the long induction periods in many chronic diseases....Full Text Available
Emphasis was put on the comparative quantitative structure-activity approaches to the exploration of action mechanisms of structurally different classes of compounds showing the same type of activity...Full Text Available
The activity of mice in their home cage is influenced greatly by the cycle of light and dark. In addition, home-cage activity shows remarkable time-dependent changes that result in a prominent temporal...Full Text Available
Background and objectives: Chronic kidney disease (CKD) is associated with impaired physical activity. However, it is unclear whether the associations of physical activity with mortality are modified...Full Text Available
The cloned 135-kDa CryIC delta-endotoxin from Bacillus thuringiensis is a lepidopteran-active toxin, displaying high activity in vivo against Spodoptera litoralis and Spodoptera frugiperda larvae and...Full Text Available
Materials World Network: Cooperative Activity in Materials Research between US Investigators and ... Program Title: Materials World Network: Cooperative Activity in Materials Research between US ...
Materials World Network: Cooperative Activity in Materials Research between US Investigators and ... Program Title: Materials World Network: Cooperative Activity in Materials Research between US ...
Given the high prevalence of overweight and low levels of physical activity among children, a better understanding of physical activity behaviour is an important step in intervention planning. This...Full Text Available
In the past, the fermentation activity of Saccharomyces cerevisiae in substrates with a high concentration of sucrose (HSuc), such as sweet bread doughs, has been linked inversely to invertase activity...Full Text Available
Human apurinic/apyrimidinic endonuclease (hApe1) encodes two important functional activities: an essential base excision repair (BER) activity and a redox activity that regulates expression...Full Text Available
Mitogen Activated Protein Kinases (MAPKs) are a class of serine/threonine kinases that regulate a number of different cellular activities including cell proliferation, differentiation, survival and...Full Text Available
Objective:To investigate the combined effect of both pioglitazone and methotrexate on disease activity of rheumatoid arthritis in a biphasic study; experimental and clinical.Methods:Experimentally:...Full Text Available
The disclosure is directed to an active magnetic regenerator apparatus and method. Brayton, Stirling, Ericsson, and Carnot cycles and the like may be utilized in an active magnetic regenerator to provide efficient refrigeration over relatively large temperature ranges.
BACKGROUND--Interstitial lung diseases are characterised by the recruitment of mononuclear cells to disease sites where maturation occurs and activation products, including lysozyme (LZM), are released....Full Text Available
We sought to determine the effects of activation of peroxisome proliferator-activated receptor-γ (PPAR-γ) on multilocularization of adipocytes in adult white adipose tissue (WAT). Male...Full Text Available
Peroxisome proliferator-activated receptors (PPARs) are ligand-activated transcription factors belonging to the nuclear hormone receptor superfamily. Their discovery in the 1990s provided insights...Full Text Available
AMP-activated protein kinase (AMPK) is a key regulator of energy metabolism; its activity is regulated by a plethora of physiological conditions, exercises and many anti-diabetic drugs. Recent...Full Text Available
AMP-activated protein kinase (AMPK) was initially viewed as energy sensor and activated by increased intracellular concentrations of AMP following nutrient deprivation. Physiological or pathological...Full Text Available
Red mud, and red mud activated by dissolution in hydrochloric acid and reprecipitation with ammonia, were tested as catalysts for the hydrogenation of an anthracene oil in a trickle-bed reactor. Conversion data were determined for the different polyaromatic compounds in the anthracene oil. Red mud shows appreciable catalytic activity, which is enhanced by the activation. Although both red mud and activated red mud are less active than a commercial Ni-Mo/[gamma]-alumina hydrotreating catalyst, the difference in activity is smaller when conversion to hydroaromatics instead of total conversion of reactants is considered. 20 refs., 8 figs., 3 tabs.
This paper obtains the acidity spectra of modernites and SVK-zeolites from the heats of adsorption of NH/sub 3/ at 300 C and compares the catalytic activity of these zeolites with the cracking of n-octane and the isomerization of o-xylene. It is shown that the calculation of the specific catalytic activity of centers of different strengths by the method of regional rates allows one to predict the activity of the zeolites from the acidity spectra. It follows from the calculation that only the centers of Bronsted acidity are active towards cracking but that the centers of Lewis acidity are also active towards isomerization.
... as far as mammary development is concerned but carries the NF-κB reporter, there is diffuse NF-κB activity throughout the epithelial tissue that is ...
The moment analysis of pulse responses was applied to a biological activated carbon (BAC) bed to evaluate the microbial activity. Glucose and activated carbon fiber (ACF) were employed in experiments as a model tracer and an activated carbon respectively. No significant difference in biodegradation rates of glucose by microorganisms attached on different solid supports such as activated carbon inactivated carbon and glass fibers was observed. However, higher microbial activity was obtained from microorganisms supported on the ACF in terms of the apparent degradation of total organic including metabolic byproducts by microorganisms, since part of the metabolic byproducts was irreversibly deposited onto the ACF. 11 refs., 6 figs.
A residue in the production of alumina by the Bayer process is red mud. It contains oxides of Fe and Ti, active as hydrogenation catalyst in sulfided form, and whose catalytic activity can be improved by the activation method proposed by Pratt and Christoverson. The paper describes how the development of its activity and selectivity with reaction time was studied for the hydrogenation of a light fraction of an anthracene oil, and compared with untreated sulfided red mud. Catalyst samples were collected at different reaction times, and their texture, morphology and composition characterized by nitrogen adsorption, SEM and SEM-EDX. The loss of catalytic activity of activated sulfided red mud is slower than for untreated sulfided red mud. The main cause of this decrease in catalytic activity is the loss of surface area and superficial Fe.
... Development for Envir Activities Materials Use: Sci, Eng, & Society Synopsis of Program: This ... for Environmental Activities (IDEA); Materials Use: Science, Engineering, & Society (MUSES). In all ...
BackgroundThe aim of this study was to investigate the anticancer activity and mechanism of action of Noscapine alone and in combination with Doxorubicin against triple negative...Full Text Available
Background:Antimicrobial agents have been used as a chemotherapeutic agent to improve oral health. This in vitro study was carried out to determine the antimicrobial activity...Full Text Available
The ability of a number of mycobacteria and some of their components to activate complement was examined. Mycobacterium bovis BCG (Glaxo strain), Mycobacterium leprae, Mycobacterium lepraemurium, and...Full Text Available
High Cycle Fatigue Initiative Workshop -Active Vibration. Control/Engine. Health Monitoring Session December 10,. 1996. The presentation was titled "Active ...
Cationic five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN) (6-Me-py-2-CH=NPh)(C{sub 2}H{sub 4})]{sup +} complexes (R{sup 1}, R{sup 2} = H, Me, OMe) undergo an unexpected rearrangement at 0{degrees}C in chloroform solution, affording, after treatment with aqueous LiCl, the neutral four-coordinate species [Pt(2-Et-4-R{sup 1}-5-R{sup 2}-C{sub 6}H{sub 2})Cl(6-Me-py-1-CH=NPh)]. Pt-C{sub aryl} bond breaking and making is involved in the whole process, resulting in a 1,2-shift of the platinum atom to an adjacent position of the benzene ring. The same compound is obtained, together with products deriving from a typical insertion, when an equimolar amount of ethylene is added to a chloroform solution of [Pt(3-R{sub 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN)(6-Me-py-2-CH=NPh)]{sup +} at 0{degrees}C. When higher ethylene/Pt ratios are used, only five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3}CH{sub 2}CH{sub ...
One-electron reduction of the square-planar nickel precursor (PNP)NiCl ( 1) (PNP (-) = N[2-P(CHMe 2) 2-4-methylphenyl] 2) with KC 8 effects ligand reorganization of the pincer ligand to assemble a Ni(I) dimer, [Ni(mu 2-PNP)] 2 ( 2), containing a Ni 2N 2 core structure, as inferred by its solid-state X-ray structure. Solution magnetization measurements are consistent with a paramagnetic Ni(I) system likely undergoing a monomer dimer equilibrium. The room-temperature and 4 K solid-state X-band electron paramagnetic resonance (EPR) spectra display anisotropic signals. Low-temperature solid-state X-band EPR data at 4 K reveal rhombic values g z = 1.980(4), g x = 2. 380(4), and g y = 2.225(4), as well as a forbidden signal at g = 4.24 for the Delta M S = 2 half field transition, in accord with 2 having two weakly interacting metal centers. Utilizing an S = 1 model, full spin Hamiltonian simulation of the low-temperature EPR spectrum on the solid sample was achieved by applying a nonzero ...
Addition of the silane PPh[sub 2]CH[sub 2]CH[sub 2]SiMe[sub 2]H (chelH, 1a) to Pt(COD)[sub 2] (COD = cycloocta-1,5-diene) affords in high yield the cis-bis chelate Pt(chel)[sub 2] (2); formation of the same product from Pt(COD)(X)Y (X = Y = Me; X = Me, Y = Cl) has been shown by NMR spectroscopy ([sup 1]H, [sup 31]P, [sup 195]Pt) to proceed via prior coordination of chelH through P to afford Pt(chelH)[sub 2](X)(Y) (cis and trans isomers) and through intermediacy of PtH(chel)[sub 2]Cl (22) in which P trans to Si at Pt(IV) leads to an exceptionally low [sup 2]J(Pt-P) = 1084 Hz. Cleavage of Pt-Si bonds in 2 by HCl can be controlled to give the monochelate species Pt(chel)(chelH)Cl (7), from which chelH is displaced by PMe[sub 2]Ph, or trans-PtH(PPh[sub 2]CH[sub 2]SiMe[sub 2]Cl)[sub 2]Cl (9). Products related to 9 result from Pt-Si bond cleavage by I[sub 2] or MeI. Using the analogue PPh[sub 2]CH[sub 2]CH[sub 2]SiMe(Ph)H (1c) of 1a, the analogue ...
In the paper, the effect of Ni content, WC grain size and Mo2C addition on WC-6.25wt%TiC-9.3wt%Ni cemented carbide were investigated to improve the properties of Ni-bonded cemented carbides. The results show that the decrease of Ni content will result in the decrease of transverse rupture strength and increase of hardness; with the decrease of WC particle size, hardness increases due to the refinement of WC grains, however, the transverse rupture strength decrease due to the decrease of Ni binder thickness; Mo2C proves to be an effective grain growth inhibitor. With the increase of Mo2C content, the WC grains are refined and the hardness and transverse rupture strength are improved. Generally, when the Ni content is decreased to 8.4wt%, 13.45mm WC is used and 1.2wt% Mo2C is added, a higher...
This paper describes an innovative use of post-consumer waste HDPE plastic in concrete as a soft filler. A reference concrete was proportioned to have the 28-day compressive strength of 5000 psi (35 MPa). A high-density plastic was shredded into small particles for use in the concrete. These particles were subjected to three chemical treatments (water, bleach, bleach + NaOH) to improve their bonding with the cementitious matrix. The plastic particles were added to the concrete in the range of 0--5% of total mixture by weight. Compressive strengths were measured for each test mixture. The results showed that chemical treatment has a significant effect on performance of the plastic filler in concrete. Of the three treatments used on the plastic, the best performance was observed with the alkaline bleach treatment (bleach + NaOH) with respect to compressive strength of concrete.
In this paper, the influence of plasma nitriding at temperature 720 deg. C for 20 h on the surface microstructure and interface microstructure of electroplated chromium coating was investigated. In these conditions, interdiffusion, mixing and reaction phenomena of elements originating from the substrate and coating material are more likely to occur, thus increasing the bonding strength between the coating and carbon steel substrate. The change of the structures from the substrate side to the coating surface, and the effect of the substrate steel on the interface structure were studied by cross-sectional transmission electron microscope observation (XTEM). The nitride layer formed on the surface was analyzed by X-ray diffraction method (XRD). After treatment at above conditions a 6-7 {mu}m thick nitride compound layer was formed in surface region and the same thick carbide compound layer was also formed in the interface region between electroplated chromium coating ...
In this paper, the influence of plasma nitriding at temperature 720 deg. C for 20 h on the surface microstructure and interface microstructure of electroplated chromium coating was investigated. In these conditions, interdiffusion, mixing and reaction phenomena of elements originating from the substrate and coating material are more likely to occur, thus increasing the bonding strength between the coating and carbon steel substrate. The change of the structures from the substrate side to the coating surface, and the effect of the substrate steel on the interface structure were studied by cross-sectional transmission electron microscope observation (XTEM). The nitride layer formed on the surface was analyzed by X-ray diffraction method (XRD). After treatment at above conditions a 6-7 #mu#m thick nitride compound layer was formed in surface region and the same thick carbide compound layer was also formed in the interface region between electroplated chromium coating ...
Abstract Thermomechanical behavior of membranes based on blends of poly(vinyl alcohol) (PVA) with different weight percentage (wt %) of glycerol has been studied. Solid-state PVA/Glycerol polymer membranes were prepared by a solution casting method. The films were studied for thermal characteristics by differential scanning calorimetry (DSC) and thermogravimetric analysis and for the mechanical properties including hardness and modulus by nanoindentation method. The dispersion of glycerol within the polymer matrix was examined using scanning electron microscopy. Fourier transform infrared spectroscopy was used to confirm the formation of hydrogen bonding between the plasticizer and PVA in their blends and also to provide information on compatibility and physical interactions between the gl...
We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.
Reciprocity is one of the defining features of social exchange and social life, yet exchange theorists have tended to take it for granted. Drawing on work from a decade-long theoretical research program, I argue that reciprocity is structured and variable across different forms of exchange, that these variations in the structure of reciprocity have profound effects on the emergence of integrative bonds of trust and solidarity, and that these effects are explained and mediated by a set of risk- and conflict-based processes. I discuss the consequences of this work for organizational theories of embeddedness and the production of social capital through network ties. Finally, I ask how the structure of networks and the structure of reciprocity are related to one another, and explore possible implications of the structure of reciprocity for exchange theorists' assumptions about actor motivations. (Contains 3 figures and 5 footnotes.)
The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...
A new low molecular mass organogelator 1 containing 2-(2prime-hydroxyphenyl)benzoxazole (HPB) group with long alkyl chain was synthesized by the reaction with 5-amino-2-(2prime-hydroxy-4prime-methylphenyl)benzoxazole and dodecyl isocyanate in THF at room temperature. The reversible gelation ability of 1 was investigated using a heating-cooling method in various organic solvents. The stable organogel was formed from carbon tetrachloride or from cyclohexane at the concentration as low as 0.9%. The self-assembled supramolecular gel structure formed by non-covalent bonding was confirmed with field emission-scanning electron microscope (FE-SEM) exhibiting fibril- or ribbon-shaped structure depending on the solvent used. Regarding the aggregation-induced emission enhancement (AIEE) phenomenon, t...
Two no-carrier-added "1"2"5I-labelled photoaffinity rapamycin analogs were prepared: 7-demethoxy-7-(4-azido-3-"1"2"5I-benzyloxy) rapamycin and its C_2_8-C_2_9 seco analog. The key reactions of the synthesis were substitution of the C_7 methoxyl of rapamycin with 4-azido-3-tributylstannylbenzyloxy group, exchange of tributyltin with "1"2"5I using Na"1"2"5I and Chloramine-T, and a ZnCl_2 mediated retro-Aldol cleavage of the C_2_8-C_2_9 bond of rapamycin. (author).
Recently, sustainable materials have attracted attention because of the need to alleviate environmental problems. Bamboo, in particular, has attracted attention as a sustainable material because it has the fastest natural growth rate among various natural materials. A self-bonding fiberboard using high quality bamboo fiber extracted with a machining center has been enabled to be fabricated by hot press forming. Therefore, we propose a sustainable manufacturing system that focuses on bamboo. An environmental impact of our system was evaluated by life cycle assessment (LCA), comparing with a glass fiber reinforced plastic production. Additionally, based on the LCA result, higher efficient fiber extraction process was proposed by an application of in-situ measurement of uninformed bamboo shape with irregularity.
Glass ceramics are commonly used as sealing materials for planar solid oxide fuel cells (SOFCs). The major requirements of stack and module builders for these materials are the stability of the coefficient of thermal expansion (CTE), excellent bonding (sticking) behaviour and the absence of volatile ingredients, which can lead to changes of the material properties and the sealing ability. SCHOTT Electronic Packaging has developed special glasses and glass-ceramics for various solid oxide fuel cell designs and operating temperatures. The glass compositions are based on the system MgO-Al2O3-BaO-SiO2-B2O3. In this study the evaluation of the developed materials was done by high temperature aging tests for up to 1000h, high temperature XRD-studies and Rietveld calculations, combined with scann...
Recently, molecular clusters are the subject of several experimental and computational studies by means of their bonding structures. We studied, first time, small difluorine monoxide clusters such as dimer (linear, cyclic, bifurcated), trimer and tetramer structures using B3LYP variant of density functional theory with cc-pVDZ basis set. On the basis of the optimized geometry, various energy properties such as binding energy, molecular orbital energies, two and three body interaction energies have been calculated. Additionally dipole moment, polarizability, anisotropic polarizability and hyper polarizability have been calculated and compared with monomer structure.
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.
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.
Upon addition of permanganate to a solution of tryptophan (Trp), yellow-brown color species appears within the time of mixing of tryptophan in absence and presence of cetyltrimethylammonium bromide (CTAB), which was stable for some days. Spectroscopic and kinetic evidences suggest the formation of water-soluble colloidal MnO2 as the most stable reduction product of MnO4-. Carbon dioxide and ammonia are not formed as the oxidation products. Carbon-carbon double bond of indole moiety of Trp is responsible for the fast reduction of permanganate. Cetyltrimethylammonium bromide catalyses the permanganate oxidation of Trp with a rate enhancement of ca. 200-fold. Sub- and postmicellar catalytic effect of CTAB ascribed to the association/incorporation/solubilization of both reactants (MnO4- and Tr...
Graphical abstract: - Abstract: Low loading platinum-cobalt (Pt-Co) cathode catalyst on a Nafion(Na+)-bonded carbon layer is fabricated by using galvanostatic pulse technique to show the advantage of electrodeposition for high utilization of catalyst in proton exchange membrane fuel cell (PEMFC). We observed that Pt-Co catalysts evenly exist on the surface of carbon electrode and its thickness is about 5.8 ?m, which is four times thinner than conventional Pt/C. Improved single cell power performance of Pt-Co cathode catalysts with a ratio of 3.2:1 compared with Pt/C is clearly presented.
Porous ?-SiAlON ceramics are synthesized by reaction bonded method using hollow alumina spheres (HASs) as both sintering aids and pore-forming agents. Both micropores and macropores, which are constructured by SiAlON grains with different morphologies, are formed in the final SiAlON samples. The micropores are three-dimentional, and are built by equiaxial grains. While the hollow macropores, which have the similar morphology to hollow alumina sphere, are packed by elongated grains. In the sintering process, the solid dissolution process takes place, giving rise to the different alumina concentration of liquid phase, and thus resulting in the formation of two kinds of grains, the equiaxial grain and the elongated grain.
After irradiation at 254nm of aqueous solutions of the antipsychotic drug flupentixol, the structures of the photodegradation products were determined by ultra high performance liquid-chromatography linked to mass spectrometry. Fragmentation patterns of the parent ions were established on a hybrid linear ion trap-orbitrap mass spectrometer allowing accurate mass measurements of both parent and daughter ions. This allowed to propose plausible structures for the main photolysis products of flupentixol. A total of nine photoproducts were detected after irradiation of the drug. The main photoproduct is generated following the addition of a hydroxyl group on the double bond adjacent to the thioxanthene ring. Secondary photoproducts were also observed.
High molecular weight samples of the novel biodegradable polyester poly(ethylene sebacate) (PESeb) were synthesized. Miscible poly(ethylene sebacate)/poly(4-vinyl phenol) semicrystalline/amorphous blends were prepared by applying the solvent casting method. Miscibility was proved by the single composition dependent glass transition temperature over the entire composition range observed in DSC traces of the quenched blend samples and also by the melting point depression. The Flory-Huggins interaction parameter was found to be x12 = -1.3. Also, FTIR spectra supported the hypothesis of intermolecular interactions due to hydrogen bonding. The crystallization of PESeb in blends was studied. As expected, isothermal crystallization rates decreased in the blends with increasing the PVPh content. T...
The use of Sialon ceramics has been restricted by the high temperature required for synthesis and the expense of the pure oxide and nitride raw materials required. For refractory applications the purity required is less demanding and it has been possible to exploit the outstanding durability of the Sialons at moderate cost. New low cost manufacturing routes are being developed by nitriding silicon metal powder at relatively low temperature with clay and various additives depending on the Sialon required. For example the introduction of carbon or fine silicon carbide allows the preparation of beta Sialons and alpha Sialons which can be stabilised by including the appropriate cations. A wide range of composite Sialon bodies with diverse properties can be prepared by a one step process. Current projects developing the synthesis routes are aimed, in the first instance, at refractory manufacture but are showing promise for more sophisticated applications. Copyright (1998) Australasian ...
The crystal structure of Ca{sub 2}RuD{sub 6} has been determined by neutron powder diffraction: space group Fm3m, K{sub 2}PtCl{sub 6} structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340 K and 50 K. The deuterium nuclear quadrupole coupling constant, 54.7 kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A{sub 2}MH{sub 6} salts are interpreted in terms of the ionization energies of the cation and the central metal atom.
The crystal structure of Ca2RuD6 has been determined by neutron powder diffraction: space group Fm3m, K2PtCl6 structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340K and 50K. The deuterium nuclear quadrupole coupling constant, 54.7kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A2MH6 salts are interpreted in terms of the ionization energies of the cation and the central metal atom.
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 qualitatively compared with the structure of the ...
AZ31 magnesium alloy was friction-welded to AM60 and the microstructures and the friction welding process were studied. The microstructures changed near the weld interface. The AZ31 was refined to a grain size of several {mu}m near the weld interface. The nucleation occurred in the shear bands that were introduced during the welding process. On the other hand, the eutectic structure was deformed and the lamellar structure which was composed of {alpha}-Mg and Mg{sub 17}Al{sub 12} was formed near the weld interface in AM60 alloy. In the friction process, the adhesion and peel off occurred alternately between AZ31 and AM60. Eventually, bonding was completed during upset process. (orig.)
Magnetic pulse welding, a cold solid state bonding process, is becoming a viable replacement for conventional fusion welding processes and explosive welding. The process is presented here along with its fundamental equations and applications of similar and dissimilar welds are illustrated along with typical interface microstructures. (orig.) [German] Magnetimpuls-schweissen, ein Verbindungsverfahren im kalten Festzustand, wird ein funktionsfaehiger Ersatz fuer das herkoemmliche Schmelzschweissverfahren und das Explosionsschweissverfahren. Das Verfahren wird hier mit seinen grundlegenden Gleichungen vorgestellt, und Anwendungen von aehnlichen und unaehnlichen Schweissungen werden mit typischen Schnittstellen-Mikrostrukturen veranschaulicht. (orig.)
Strut lattice structures of reaction-bonded silicon infiltrated silicon carbide ceramics (RB-SiSiC) for air-fuel mixture formation and for nonstationary lean-burn under pressure applications were fabricated. The lattice design with a high porosity >80% was shaped by indirect three-dimensional printing. It was shown that pre-ignition processes in the porous reactor are much faster than in a free combustion, especially at lower temperatures. Interaction of high velocity diesel jets with cylindrical strut ligaments of the SiSiC lattice structure offers a new possibility for quick and efficient fuel distribution (multi-jet splitting) in space.
The results of following the oxidative degradation of a plastic-bonded explosive (PBX 9501) are reported. Into over 1100 sealed containers were placed samples of PBX 9501 and combinations of its components and aged at relatively low temperatures to induce oxidative degradation of the samples. One of the components of the explosive is a poly(ester urethane) polymer and the oxidative degradation of the samples were following by measuring the molecular weight change of the polymer by gel permeation chromatography (coupled with both differential refractive index and multiangle laser light scattering detectors). Multiple temperatures between 40 and 64 degreeC were used to accelerate the aging of the samples. Interesting induction period behavior, along with both molecular weight increasing (cro...
Magnetic pulse welding is a solid state impact welding process, similar to explosive welding, which produces metallurgical bond by oblique high-speed impact between two metal bodies. This violent impact removes the metal surface oxide layers and then joins the two atomic level clean metal surfaces together by the incidental compression pressure. The impact velocity is at 200?400?m/s and the being welded metal surface undergoes severe plastic deformation with strain rate in the order of 106?107?s?1. The ultrafine-grained structure was observed on the welded interface. This article studied two types of similar material lap joint interfaces and the base metals were aluminum alloy 6061 and copper alloy 110. Nano-indentation testing shows that the welded interfaces have significantly greater ha...
We present the effect of P2O5 addition on barium calcium aluminum borosilicate BCABS glasses of composition (mol %) 35BaO-15CaO-5Al2O3-(37-x)SiO2-8B2O3-xP2O5 (0?x?5). The incorporation of P2O5 increased network polymerization and crystallization tendency. However, addition of P2O5 leads to the formation of Cr2O3 at the interface, saturating it in the ions of the metal. This improves glass-to-metal bonding. (author)
Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...
Approximately 95% of the world`s integrated chips are packaged using a hot, high pressure transfer molding process. The stress created by the flow of silica powder loaded epoxy can displace the fine bonding wires and can even distort the metalization patterns under the protective chip passivation layer. In this study the authors developed a technique to measure the mechanical stress over the surface of an integrated circuit during the molding process. A CMOS test chip with 25 diffused resistor stress sensors was applied to a commercial lead frame. Both compression and shear stresses were measured at all 25 locations on the surface of the chip every 50 milliseconds during molding. These measurements have a fine time and stress resolution which should allow comparison with computer simulation of the molding process, thus allowing optimization of both the manufacturing process and mold geometry.
Nowadays, the studies are focused on the search of better electrocatalysts that promote the complete oxidation of ethanol/bioethanol to CO2. To that end, amorphous bi-catalytic catalysts of composition Ni59Nb40Pt1-xYx (Y=Cu, Ru, x=0.4% at.) have been developed, obtained by mechanical alloying, resulting in higher current densities and an improvement in tolerance to adsorbed CO vs. Ni59Nb40Pt1 catalyst. By using voltammetric techniques, the appearance of three oxidation peaks can be observed. The first peak could be associated with the electrooxidative process of ethanol/bioethanol to acetaldehyde, the second peak could be the oxidation of acetaldehyde to acetic acid, and the last peak might be the final oxidation to CO2. Chrono-amperometric experiments show qualitative poisoning of catalyt...
The nucleation and propagation of hydrofractures by injection of over pressured fluids in an elastic and isotropic medium are studied experimentally. Non-Newtonian fluids are injected inside a gelatine whose mechanical properties are assumed isotropic at the experimental strain rates. Linear elastic theory predicts that plastic deformation associated to breakage of gelatin bonds is limited to a small zone ahead of the tip of the propagating fracture and that propagation will be maintained while the fluid pressure exceeds the normal stress to the fracture walls (Ch\\'avez-\\'Alvarez,2008) (i.e., the minimum compressive stress), resulting in a single mode I fracture geometry. However, we observed the propagation of fractures type II and III as well as nucleation of secondary fractures, with oblique to perpendicular trajectories with respect to the initial fracture. In the Video (http://hdl.handle.net/1813/14122) experimental evidence shows that the fracture shape ...
Fractionation of isotopes of the alkali metals and the alkaline earth metals in ion exchange chromatography of their chlorides was studied. The heavier isotopes of potassium and rubidium were found to be preferentially fractionated into the ion exchanger phase while the lighter isotopes of lithium, magnesium, calcium and strontium were enriched in the exchanger phase. This can be interpreted as a resultant of the relative significance of isotope effect upon dehydration and isotope effect accompanying the phase change of the hydrated metal ion. Found was no evidence of anomalous isotope effect attributable to the odd-even difference in mass number of isotopes. Based on the spectroscopic and solution chemical data (experimental and theoretical), the isotopic reduced partition function ratios of the hydrated alkaline metal ions and stretching force constants of metal ion-hydrating water bonds were estimated. (author).
The thermodynamic characteristics of adsorption (the Henry constant, the heat and entropy of adsorption) of amino acids associates with acetic, trifluoroacetic, nonafluoropentanoic acids and formamide with different values of hydrogen bond lengths and various conformations on a graphitized thermal carbon black (GTCB) were calculated. The experimental results, as the Henry constant, lnK1, and the differences in the molar Gibbs energies, d(DG), obtained by a high performance liquid chromatography (HPLC) on a carbon sorbent Hypercarb, were compared with the values of thermodynamic characteristics of adsorption of the amino acids on the GTCB surface calculated by a molecular-statistical method. A satisfactory correlation was observed between the experimental and calculated values with a coeffi...
Chitosan was acetylated during 2, 5 and 10 h and physical gels were obtained at different polymer concentrations in N,N-dimethylacetamide containing 5% of LiCl. Acetylation was confirmed by infrared spectroscopy and "1"3C NMR, and degrees of acetylation in the range of 0.82-0.91 were determined by NMR. The O-acetylation degree (0.12-0.15) was exclusively determined by a volumetric method. Rheological studies showed that the storage modulus values were smaller for the more acetylated samples and increased with the temperature and the polymer concentration. All the gels presented storage modulus superior to loss modulus, evidencing more elastic than viscous characteristics. The results obtained in this work suggest a gelation process based on a balance between O and N-acetylation and intermolecular bonds. (author)
Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.
The self-consistent-pseudopotential method is applied to the A-15 compounds Nb_3Ge and Nb_3Al. The Fermi energy is found to lie in a region of very flat bands having a bonding character along the Nb chains. Comparison with the band structures of the (nonexistent) A-15 materials Nb_3Nb and Nb_3/sup asterisk/ (chains only) suggest that the p states on the Ge and Al atoms are instrumental in determining the position of the Fermi level. There is little evidence for rigid-band behavior in the Nb_3Al/sub x/Ge/sub 1-x/ system. Studies of the effects of chain dimerization in Nb_3Ge suggest that states at R and M are more likely candidates to participate in structural transitions than states at GAMMA or X.
Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.
Lithium phosphorous oxynitride(Lipon) thin films as a lithium ion conductive electrolyte were prepared by radio frequency reactive sputtering in N2 plasma. The properties of the amorphous Lipon solid electrolyte were investigated as a function of N2 pressure during reactive sputtering. The ionic conductivity and the electrochemical stability of Lipon thin films improved drastically as the N2 pressure decreased. The ionic conductivity closed to 10?6 S cm?1 and obtained a stability window of 1.0?5.0 V with an N2 pressure of 5 mTorr, where the number of nitrogen bonds between the phosphate groups were more than those formed at higher pressure. It was possible to fabricate the Li//LiCoO2 complete thin film battery using this Lipon solid electrolyte, which exhibited excellent discharge characte...
Ozone has in recent years been increasingly investigated for its potential use in the control of insect pests of stored cereals. Ozone is a powerful oxidizing agent that can react directly, or via production of reactive oxygen species, with proteins, DNA and double bonds of polyunsaturated fatty acids (PUFA). The aim of the present study was to investigate the mode of action in ozone toxicity using the red flour beetle, Tribolium castaneum (Herbst), as a relevant model. Transcription of focal genes thought to be involved in protection against ozone, and repair of cellular damage caused by ozone exposure, was studied together with the composition of storage lipid fatty acids and membrane phospholipid fatty acids in order to detect lipid peroxidation. Contrary to expectations, transcription ...
Absorption spectra of the visible I_2 band of I_2 complexes with Et_2O, Et_2S, and Et_2Se in heptane have been measured up to 3300 bar at 25"0C. The equilibrium constants and volume changes accompanying complex formation, the molar extinction coefficients and the absorption maxima have been estimated. The volume changes were found comparable with those estimated from the X-ray data of the I_2 complexes in the crystalline state. The enhancement of the molar extinction coefficient and the blue shift of the visible I_2 band with increasing pressure have been established. The results suggest a decrease in the bond distance between an n-donor and I_2, compared with the spectroscopic properties of the I_2 complex at 1 bar. The decrease has been estimated as 0.008 nm with increasing pressure up to 3300 bar. (author).
Laser-induced phase-separation polymerization of a porous acrylate polymer is used for in-situ fabrication of dialysis membranes inside glass microchannels. A shaped 355 nm laser beam is used to produce a porous polymer membrane with a thickness of about 15 .mu.m, which bonds to the glass microchannel and forms a semi-permeable membrane. Differential permeation through a membrane formed with pentaerythritol triacrylate was observed and quantified by comparing the response of the membrane to fluorescein and fluorescently tagging 200 nm latex microspheres. Differential permeation was observed and quantified by comparing the response to rhodamine 560 and lactalbumin protein in a membrane formed with SPE-methylene bisacrylamide. The porous membranes illustrate the capability for the present technique to integrate sample cleanup into chip-based analysis systems.
An all-atom polarizable chloroform (CHCl{sub 3}) potential model has been developed using the classical molecular dynamics techniques. This potential is shown to reproduce reasonably well the structural, dynamical, and thermodynamic properties of bulk liquid CHCl{sub 3} at various temperatures and pressures. With this potential, we carried out computer simulations to investigate the CHCl{sub 3}-H{sub 2}O liquid/liquid interface. Detailed structural and electrical properties at the interface will be analyzed via the density profile, radial distribution functions, molecular orientation, hydrogen bonding, and the z-dependent dipole distributions. Comparison will also be made to the results of the CCl{sub 4}-H{sub 2}O liquid/liquid interface.
A detailed chemical kinetic reaction mechanism is developed to describe incineration of the chemical warfare nerve agent sarin (GB), based on commonly used principles of bond additivity and hierarchical reaction mechanisms. The mechanism is based on previous kinetic models of organophosphorus compounds such as TMP, DMMP and DIMP that are often used as surrogates to predict incineration of GB. Kinetic models of the three surrogates and GB are then used to predict their consumption in a perfectly stirred reactor fueled by natural gas to simulate incineration of these chemicals. Computed results indicate that DIMP is the only one of these surrogates that adequately describes combustion of GB under comparable conditions. The kinetic pathways responsible for these differences in reactivity are identified and discussed. The most important reaction in GB and DIMP that makes them more reactive than TMP or DMMP is found to be a six-center molecular elimination reaction ...
In preparation for studying the hydrolytic degradation of Estane 5703 in the plastic-bonded explosive PBX 9501, the sorption (solubility) and diffusion of water in PBX 9501 and each of its components are studied experimentally and modeled theoretically. Experiments are reported that measure the weight gain or loss due to a change in the relative humidity (RH). For all of the components, the equilibrium amount of water sorbed per gram of sample is linear in the RH at low relative humidities but curves upwards at higher relative humidities. This behavior is modeled with a water cluster model. Diffusion coefficients are determined by modeling the time dependence of the water concentrations assuming Fickian diffusion, and that fits the data for some of the materials. However, all the samples t...
We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...
Synthetic chemistry originally developed for the manufacture of chemically stable silica polyamine composites was adapted for the modification of fused silica capillaries for application in CE. Polyethyleneimine (PEI) and polyallylamine (PAA) were covalently bonded to the interior surface of fused silica capillaries utilizing 3-chloropropyltrichlorosilane (CPTCS) or 3-glycidoxypropyl-trimethoxysilane (GPTMS) to anchor the polymers to the surface. The surface-bound polymers were subsequently quaternized using methyl iodide (MeI). The resulting modified capillaries were studied using CE, and were shown to provide reproducible, stable, and robust anodic EOF throughout the pH range of 2-10. Surface modifications utilizing CPTCS could be rinsed with up to 6 M HCL or 1 M NaOH without significant...
As lithium battery technology sets out to bridge the gap between portable electronics and the electrical automotive industry, cathode materials still stand as the bottleneck regarding performances. In the realm of highly attractive polyanion-type structures as high-voltage cathode materials, the sulfate group (SO4)^2^- possesses an acknowledged superiority over other contenders in terms of open circuit voltage arising from the inductive effect of strong covalent S-O bonds. In parallel, novel lithium insertion mechanisms are providing alternatives to traditional intercalation, enabling reversible multi-electron processes securing high capacities. Combining both of these advantageous features, we report here the successful electrochemical reactivity of copper sulfate pentahydrate (CuSO4.5H2O...
A conformational analysis of ethyl azidoformate (EAF) has been carried out by the MINDO/3 quantum-chemical method. It has been shown that EAF exists in the form of two conformers differing with respect to rotation around the C-N bond. Complete optimization of the geometry has been carried out for both conformers. It has been found that the transoid conformation is planar and that the cisoid conformation is nonplanar. The height of the rotation barrier is 15.4 kcal/mole. The optimal geometry of the transition state has been calculated. It has been noted that a significant role in the mechanism of the conformational transition is played by the inversion of a nitrogen, which facilitates the transition. The results of the calculation have been confirmed by IR-spectroscopic data.
Statement of problem. The popularity of base metal alloys has considerably increased in recent years because of their superior mechanical properties as well as the high cost of noble alloys. However, there is disagreement about their effect on the opaque porcelain color and the color differences among base metal alloys. Purpose. The purpose of this in vitro study was to determine and compare the influence of various commercially available base metal alloys (excluding titanium-based systems) on the resulting color of opaque porcelain with the use of a colorimetric device. Material and methods. Fourteen different types of Ni-Cr and 3 different types of Co-Cr porcelain bonding alloys were selected with a Au-Pd alloy (V-Delta SF) as the control group for colorimetric measurements and determina...
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.
The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of catalysts.
Abstract A novel and convenient protocol for the preparation of an open-tubular column coated with chitosan-silica hybrid using chitosan and silane-coupling agent (-glycidoxy-propyltrimethoxysilane) was developed for CEC, in which, chitosan was covalently bonded to the inner wall of a fused-silica capillary using -glycidoxy-propyltrimethoxysilane as a cross-linking agent. The stationary phase was hydrophilic due to the chitosan-silica hybrid with abundant amine and hydroxyl functional groups. The chromatographic characteristics of the column were evaluated by the separation of some organic acids and inorganic anions. The column showed good selectivity for nucleotides, aromatic acids, and inorganic anions. The mechanism for the separation of these compounds was primarily based on the hydrop...
This paper describes stable strontium as composed of four stable isotopes ( Sr 88, Sr 87, Sr 86, and Sr 84), of which Sr 88 contributes more than 82% to its composition. Strontium exists in three crystalline, plymorphic forms; face-centered cubic alpha form, hexagonal beta form and body-centered cubic gamma form. Strontium occupies in many physicochemical aspects an intermediate position between calcium and barium, as does the solubility of strontium salts. As a result of its oxidation potential, strontium readily forms oxides, halides, and sulfide. The author proposes that the slight discrimination against strontium incorporation into bony tissues may be due to the difference in ionic potential (14%) between strontium and calcium. Ionic potential is an indicator of the strength of ionic bonds: strontium has a smaller ratio of ionic charge to ionic radius when compared with calcium.
In this, the last of a series of three papers, we discuss a method of forming iron phosphate ceramics by a reduction process. We report the formation of iron oxide ceramics by reducing hematite with iron in a phosphoric acid solution. The reaction results in a rapid-setting ceramic (at room temperature) with a compressive strength of 3700 psi and a density of 1.7 g/cm{sup 3}. Although the exact mineral form of the binder is difficult to determine because it is mostly amorphous and hence is not amenable to X-ray diffraction analyses, this material is expected to consist of iron hydrophosphates. The reduction process is very useful in recycling several industrial wastes that are rich in hematite, including iron mine tailings, red mud (a caustic waste from the alumina industry), and machining swarfs. Formation of ceramics with red mud and swarfs is also discussed.
Chemical characterization of passive films formed on AISI 304 austenitic stainless steel, in a borate/boric acid solution at pH 9.2, under various conditions of potential, temperature, and polarizations time, was made by Auger electron spectroscopy combined with ion sputtering, and x-ray photoelectron spectroscopy (XPS). The depth chemical composition, thickness, and duplex character of the passive layers were determined after processing AES sputter profiles by their quantitative approach based on the sequential layer sputtering model. Moreover, separated contributions of elements in their oxidized and unoxidized state could be disclosed from part to part of the oxide-alloy interface. The XPS study specified the chemical bondings which take placed inside the film, between Fe and oxygen (and water).
Charles Darwin's evolutionary theories of animal communication were deeply embedded in a centuries-old model of association psychology, whose prodromes have most often been traced to the writings of Aristotle. His notions of frequency of occurrence of pairings have been passed down through the centuries and were a major ontological feature in the formation of associative connectivity. He focused on the associations of cause and effect, contiguity of sequential occurrence, and similarity among items. Cause and effect were often reduced to another type of contiguity relation, so that Aristotle is most often evoked as the originator of the associative bondings through similarity and contiguity, contiguity being the most powerful and frequent means of association. Contiguity eventually became ...
This current work is concerned with the development of polypropylene composites reinforced with cellulose and cellulignin fibers attained from sugarcane bagasse. Moreover, the fibers were chemically modified by acetylating process and its effects on the fiber/matrix interaction were also evaluated. The chemical modification efficiency was verified by FTIR analysis and the fibers morphological aspects of fibers by SEM. Likewise, the influence of modified fibers content in the composites was studied by mechanical (tensile, shear and flexural tests) and thermal analyses (TGA and DSC). After the chemical modification, the FTIR results showed the appearance of acetyl groups and reduction of OH bonds for all fibers. Together with, SEM characterization showed that the acetylation changed the morp...
We have studied the vibrational properties of the filled tetrahedral semiconductor LiMgAs and its binary analog AlAs by using the plane-wave pseudopotential method within density functional theory. The calculated lattice constants for the studied compounds are in good agreement with previous theoretical and experimental results. The phonon dispersion curves and phonon density of states are calculated by using density functional perturbation theory. The sound speeds in different directions are quantitatively similar in LiMgAs and AlAs. The assignment of the zone center modes to the relative motion of the atoms shows that the lower optic modes are due to the Mg-As pair vibrations, while for the upper ones the Li-Mg pair dominates, which is attributed to the smaller Mg atom mass. The longitudinal interatomic force constant of Mg-As is about 66% higher than that of Li-As, showing the relatively high covalency of the former bond.
Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.
Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.
Three complementary impact welding technologies are described in this paper. They are explosive welding, magnetic pulse welding, and laser impact welding, which have been used to provide metallurgical bonds between both similar and dissimilar metal pairs. They share the physical principle that general impact-driven welding can be carried out by oblique impact but are used at different length scales from meters to sub-millimeter. The different length scales require different kinds of systems to drive the process, and the scales themselves can give different weld morphologies. Metallographic analysis on cross-sections shows a wavy interface morphology which is likely the result of an instability associated with jetting, which scours the surfaces clean during impact. The normalized period and...
At Super-LHC luminosity it is expected that the standard suite of L1 triggers for CMS will saturate. Information from the tracker will be needed to reduce trigger rates to satisfy the L1 bandwidth. Tracking trigger modules which correlate information from closely-spaced sensor layers to form an on-detector momentum filter are being developed by several groups. We report on a trigger module design which utilizes three dimensional IC technology to incorporate chips which are connected both to the top and bottom sensor, providing the ability to filter information locally. A demonstration chip, the VICTR, has been submitted to the Chartered/Tezzaron two-tier 3D run coordinated by Fermilab. We report on the 3D design concept, the status of the VICTR chip and associated sensor integration utilizing oxide bonding.
Abstract Introduction.- Infection is the worst complication seen with inflatable penile prosthesis (IPP). Both the American Medical Systems (AMS) and Coloplast IPP have infection retardant coatings. AMS is coated at the factory with rifampicin and minocycline (InhibiZone). The Coloplast IPP has a hydrophilic coating covalently bonded to its components that will absorb any aqueous solution before implantation and provides increased surface lubricity to decrease bacterial adherence. Aim.- We tested several antibiotic dips comparing zones of inhibition (ZOI) against five commonly infecting bacteria with coated Coloplast implants. Results were compared with those ZOI created with strips of an AMS IPP precoated with InhibiZone. Methods.- Pieces of sterile Coloplast Titan IPP were dipped in (i) ...
The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)
The structure of ammonium azide (NH_4)N_3 was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A"3; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)
A simple model based on surface chemistry is developed, based an simple concepts of contact angle, wetting and spreading. Results of the modeling can be stated by two simplified rules of thumb'': (1) A liquid will spread on the surface of a solid if the surface tension of the liquid is lose than the surface free energy of the solid, and (2) The liquid having the surface tension nearest that of the solid will preferentially wet the surface of the solid. These two rules can then be used to define the parameters that constitute a process for formulating a plastic bonded explosive (PBX), which is a crystalline high-explosive material coated with a small amount of plastic polymeric material (the binder). The PBX then can be pressed to a high density, and machined to a specific shape. The pressed and machined explosive material can then be used in a physics experiment to study fundamental properties of either the explosive or some other material.
A simple model based on surface chemistry is developed, based an simple concepts of contact angle, wetting and spreading. Results of the modeling can be stated by two simplified ``rules of thumb``: (1) A liquid will spread on the surface of a solid if the surface tension of the liquid is lose than the surface free energy of the solid, and (2) The liquid having the surface tension nearest that of the solid will preferentially wet the surface of the solid. These two rules can then be used to define the parameters that constitute a process for formulating a plastic bonded explosive (PBX), which is a crystalline high-explosive material coated with a small amount of plastic polymeric material (the binder). The PBX then can be pressed to a high density, and machined to a specific shape. The pressed and machined explosive material can then be used in a physics experiment to study fundamental properties of either the explosive or some other material.
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.
A new procedure for preparing an 211At-labeled radiopharmaceutical is suggested. The 211At? anion forms a strong bond with the Rh3+ cation incorporated in the complex with a thiother ligand, 1,5,9,13-tetrathiacyclohexadecane-3,11-diol (16-S4-diol). The reaction conditions are optimized with 131I as astatine analog. The complexes are studied by paper electrophoresis, ion exchange, and thin-layer chromatography. The kinetics of the addition of the 131I? anion to Rh(16-S4-diol) and the dependence of the yield of the forming complex 131I-Rh(16-S4-diol) on the temperature, solution acidity, and reactant concentrations are examined. Taking into account the results obtained, the complex 211At-Rh(16-S4-diol) is prepared by adding astatide (211 At?) to equivalent amounts of RhCl3 and the tetrathioe...
Testing of barrier properties of insulating materials against radon is usually based on the measurement of the radon diffusion coefficient. Presented report summarizes results of radon diffusion coefficients measurements in more than 120 insulating materials obtained throughout Europe. All measurements were performed by the Czech Technical University, Faculty of Civil Engineering in cooperation with the Radiation Protection Institute. We have found out that great differences exist in diffusion properties, because the diffusion coefficients vary within eight orders from 10"-"1"5 m"2/s to 10"-"8 m"2/s. For each material category of different chemical composition statistical evaluation of results is presented. Possibilities of usage of the radon diffusion coefficient for the design of radon resisting membranes are discussed. Based on the experience from the Czech Republic the paper is trying to show that controlling applicability of membranes by setting of the upper limit for the radon ...
A system and method for enabling human beings to communicate by way of their monitored brain activity. The brain activity of an individual is monitored and transmitted to a remote location (e.g. by satellite). At the remote location, the monitored brain activity is compared with pre-recorded normalized brain activity curves, waveforms, or patterns to determine if a match or substantial match is found. If such a match is found, then the computer at the remote location determines that the individual was attempting to communicate the word, phrase, or thought corresponding to the matched stored normalized signal.
Inhibition of large conductance calcium-activated potassium (BKCa) channels mediates, in part, oxygen sensing by carotid body type I cells. However, BKCa channels remain active...Full Text Available
Experiments were carried out to determine the adsorption capability of some commercial activated and non-activated charcoal samples with methanol to select the most favourable pair to be used in a solar adsorption refrigeration system. The results obtained are presented. A simple method has been used to enhance the adsorption capability of the lumpwood charcoal. (Author)
The conditions for the production of activated charcoal having a decolorization power (DP) of less than 160 mL/g for methylene blue solutions from the wood of rubber plants were activation temperature of 1000 degrees, rentention time of 30 minutes, and steam-char-ratio of approximately 1.7. The installation of a side-burner around the rotary kiln to decrease the temperature gradient increased the DP of the activated charcoal to 190-200 mL/g without a decrease in yield.