The progress of laboratory studies on the removal of NO/sub x/ and SO/sub 2/ with zeolitemolecularsieves is reported. The trademark of these zeolitemolecularsieves is Zeolon. (LK)
The increasing environmental concern and promotion of ''green processes'' are forcing the substitution of traditional acid and base homogeneous catalysts by solid ones. Among these heterogeneous catalysts, zeolites and zeotypes can be considered as real ''green'' catalysts, due to their benign nature from an environmental point of view. The importance of these inorganic molecularsieves within the field of heterogeneous catalysis relies not only on their microporous structure and the related shape selectivity, but also on the flexibility of their chemical composition. Modification of the zeolite framework composition results in materials with acidic, basic or redox properties, whereas multifunctional catalysts can be obtained by introducing metals by ion exchange or impregnation procedures...
Most chemical reactions in industry and biology are catalytic and play a role at some stage of the processing of about 80% of the goods manufactured in the U.S., yet catalysis is a neglected subject in chemical education. This book integrates the fragmentary treatment accorded the topic until now. It covers, in a unified way, catalysis in solutions, by enzymes, in synthetic polymers within the molecular scale cages of zeolites and other molecularsieves, and on surfaces of inorganic solids. The central ideas are chemical; and principles are illustrated by emphasizing industrial reactions and catalysts.
A novel multilayer mixed matrix membrane (MMM), consisting of poly(phenylene oxide) (PPO), large-pore mesoporous silica molecularsievezeolite SBA-15, and a carbon molecularsieve (CMS)/Al{sub 2}O{sub 3} substrate, was successfully fabricated using the procedure outlined in this paper. The membranes were cast by spin coating and exposed to different gases for the purpose of determining and comparing the permeability and selectivity of PPO/SBA-15 membranes to H{sub 2}, CO{sub 2}, N{sub 2}, and CH{sub 4}. PPO/SBA-15/CMS/Al{sub 2}O{sub 3} MMMs with different loading weights of zeolite SBA-15 were also studied. This new class of PPO/SBA-15/CMS/Al{sub 2}O{sub 3} multilayer MMMs showed higher levels of gas permeability compared to PPO/SBA-15 membranes. The permselectivity of H{sub 2}/N{sub 2} and H{sub 2}/CH{sub 4} combinations increased remarkably, with values at ...
Introduced herein is microwave irradiation for the adsorption and desorption of environmental pollutants. Microwaves may be used in two ways, other than through elevation of temperature of a system as a whole with the adsorbent such as activated carbon serving as the heating medium. The first is the application by which desorption is caused to take place of specified molecules. For example, zeolite that has adsorbed water is regenerated when it is irradiated with microwaves in a stream of cooling gas. This is because only the moisture is heated since zeolite is a non-carbon adsorbent that absorbs microwaves but a little. Another case is reported in which microwaves are utilized to desorb H2S, H2O, CO, etc., from molecularsieves. In the second application, coexisting materials different in absorptivity are exposed to irradiation. The adsorption of microwave-absorbent materials is inhibited while that of ...
The batchwise preparation of molecularsieves for methanol conversion shows some inconsistency in catalytic stability. This is a result mainly of the change of SiO/SUB/2/Al/SUB/2O/SUB/3 in ion exchange to an H-type sieve. The dealumination during ion exchange depends upon crystal size and structural factors, which can be characterised by the cyclohexane adsorption of the raw molecularsieve. A high SiO/SUB/2/Al/SUB/2O/SUB/3 H-molecularsieve can be prepared from a molecularsieve of high adsorption capacity, this leading to a catalyst of higher stability. (4 refs.)
The invention is regeneration and recirculation of nitrogen oxides in the exhaust gas of a nitric acid plant without using any material current and heat energy other than that generated in the process of producing nitric acid. Nitrogen oxide is recovered by at least two adsorbers each containing an acid resistant zeolitemolecularsieve and operating in an alternate heat cycle; adsorption occurring at 20-40 degrees C and regeneration at 300-350 degrees C. The hot gas exiting from the oxidation U used in the production of nitric acid is used to regenerate the adsorbers and the nitrogen oxides set free during the said regeneration are introduced into the main feed stream of the nitric acid plant. In the final stage of the regeneration the adsorbers are cooled by rinsing them with exhaust gas or air at a temperature of 20-40 degrees C.
One membrane oxygen enricher (Oxygen Enrichment Company OE-4E) and four molecularsieve (MS) concentrators (Mountain Medical Econo2, De Vilbiss MINI DeVO2, Cryogenic Roomate III, and Mountain Medical...Full Text Available
The physicochemical nature of a silicoaluminophosphate with the faujasite structure has been studied. The molecularsieve framework contains a homogeneous distribution of silicon, aluminum, and phosphorus and is negatively charged. Combustion in air of the charge-compensating organic cations produces hydroxyl groups which exhibit Broensted acidity.
Nanowires, films, and membranes comprising ordered porous manganese oxide-based octahedral molecularsieves, and methods of making, are disclosed. A single crystal ultra-long nanowire includes an ordered porous manganese oxide-based octahedral molecularsieve, and has an average length greater than about 10 micrometers and an average diameter of about 5 nanometers to about 100 nanometers. A film comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is stacked on a surface of a substrate, wherein the nanowires of each layer are substantially axially aligned. A free standing membrane comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is aggregately stacked, and wherein the nanowires of each layer are substantially axially aligned.
Using low-temperature adsorbed dihydrogen and carbon monoxide as molecular probes, the dehydroxylation of the hydrogen forms of the zeolites Y, and ZSM-5 has been studied. The high stability of the high-silica zeolites to dealumination and their difference from faujasites has been established as being due not only to the strength of their Broensted acid sites but also to the nature of their Lewis acid sites. The chemical properties of the Lewis acid sites and their possible role in catalytic reactions are discussed.
The effect of neutralizing cations on the secondary reactions of the primary products from CO hydrogenation over ion-exchanged zeolite-supported Ru catalysts was investigated using zeolites with different alkali cations (Li/sup +/, Na/sup +/, K/sup +/, Rb/sup +/, Cs/sup +/). The transformation of olefins (propylene and butene) on the zeolites without the metal, under conditions similar to those used for CO hydrogenation, was also studied in order to understand the effect of the various constituents of the support, i.e., the Broensted acid sites generated during catalyst preparation and the alkali cations, on possible secondary reactions of the primary olefinic products. It was established that secondary acid-catalyzed reactions of these primary products can play a major role in shaping product selectivity during CO hydrogenation over zeolite-supported catalysts. Depending on the concentration and the ...
Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.
The present paper is a comparative study of the cerium-containing nickel catalysts supported on x- and y-zeolites. In general, the addition of cerium ions caused an increase in the catalytic activity for CO hydrogenation and shifted the product selectivity to high molecular weight hydrocarbons. The degree of the effect of cerium additive depends on the ratio of cerium to nickel contents, the reduction temperature, and the nature of the supporting materials. Catalyst characterization, including volumetric hydrogen chemisorption, temperature programmed reduction/desorption, x-ray diffraction, surface area measurements, in-situ infrared spectroscopy and x-ray photoelectron spectroscopy, was performed in order to interpret the phenomena due to the effects of cerium additives and the support effect on Ni/zeolite catalysts.
Full text: During JET operations, tritium contaminated waste is generated principally but not exclusively from 'intervention' work and from removing or replacing redundant items. It is essential for JET and for any future fusion plant to have available a route for managing each waste stream however large or small, both during operation and decommissioning of the plant. The long term outcome is to have for each tritiated waste stream from JET a route for its management leading to its eventual disposal or recycling (and thus to be available for similar waste streams which will be produced by ITER operations). Since several years SCK#centre dot#CEN has been developing techniques for the treatment of tritiated waste. Amongst them, technologies for water detritiation, for the treatment of tritiated organic liquids and for the decontamination of several types of solid tritiated waste. Our R and D focuses on the development of a system to decontaminate surface contaminated metals, concrete ...
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.
Lipase catalyzed esterification reactions between lactic acid and several fatty acids have been studied. Difficulties arise in esterifying lactic acid because of the potential for this substance to act both as an acyl donor and as a nucleophile. These difficulties were minimized via strategies which greatly increased the yield of the desired ester. Use of the companion fatty acid in excess with respect to lactic acid in an apolar solvent (n-hexane) in which the lactic is not completely dissolved has been employed to minimize the potential for lactic acid to act as an acyl donor in a self-polymerization reaction.Beneficial and sinergistic effects of both silica gel and molecularsieves on conversion to the desired product are described. However, careful control of the amount of molecularsieves used is required. This fact is a consequence of two opposing effects of this material: i.e. adsorption of both ...
Five hydrated inorganic divalent cations, Mg[sup 2+], Co[sup 2+], Ni[sup 2+], Cu[sup 2+], and Zn[sup 2+], have successfully been used as templates for the synthesis of manganese oxide octahedral molecularsieves (OMS-1) having the todorokite structure. The OMS-1 samples have been well characterized by X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, scanning electron microscopy/energy dispersive X-ray studies, inductively coupled plasma analysis, electron paramagnetic resonance, Fourier transform infrared spectroscopy, thiosulfate titration, and cyclohexane sorption. Catalytic CO oxidation and 2-propanol decomposition were carried out. Results show that these OMS-1 samples with a tunnel size of about 6.9 angstroms are crystalline and chemically pure. They have the following formulas: Mg[sub 3.17]Mn[sub 5.05]O[sub 12] [center dot] 4.52H[sub 2]O, Co[sub 1.84]Mn[sub 5.59]O[sub 12] [center dot] 3.45H[sub 2]O, Ni[sub ...
The adsorption equilibria of Kr, Xe and N{sub 2}, which are constituents of the off-gas from nuclear reprocessing processes, on representative adsorbents (MolecularSieve 5A (MS5A) and activated charcoal) were studied. Adsorption experiments were conducted in the temperature range of 77 to 323 K using a packed bed column. The adsorption isotherms for the activated charcoal adsorbent were successfully correlated by the vacancy solution model. The adsorption isotherms for the MS5A adsorbent were properly correlated by the Langmuir model and the vacancy solution model. The adsorption experiments for the binary component systems (Kr-Xe, Kr-N{sub 2} systems) were also performed, and the results suggest that the coexistence of Xe greatly inhibits the adsorption of Kr. The coexistence of large amounts of N{sub 2} was also found to inhibit the adsorption of Kr. The experimental results for the adsorption equilibrium of binary component systems on the ...
The transfer kinetics of the negatively charged glycosphingolipid II"3-N-acetylneuraminosyl-gangliotetraosylceramide (GM_1) were investigated by monitoring tritiated GM_1 movement between donor and acceptor vesicles. After appropriate incubation times at 45 "0C, donor and acceptor vesicles were separated by molecularsieve chromatography. Donors were small unilamellar vesicles produced by sonication, whereas acceptors were large unilamellar vesicles produced by either fusion or ethanol injection. Initial GM_1 transfer to acceptors followed first-order kinetics with a half-time of about 40 h assuming that GM_1 is present in equal mole fractions in the exterior and interior surfaces of the donor vesicle bilayer and that no glycolipid flip-flop occurs. GM_1 net transfer was calculated relative to that of ["1"4C]cholesteryl oleate, which served as a nontransferable marker in the donor vesicles. Factors affecting the GM_1 interbilayer transfer rate ...
The transfer kinetics of the monosiaylated glycosphingolipid, GM_1, between different size phospholipid vesicles was measured using molecularsieve chromatography. At desired time intervals, small unilamellar donor vesicles were separated from large unilamellar acceptor vesicles by elution from a Sephacryl S-500 column ["3H]-GM_1 net transfer was calculated relative to ["1"4C]-cholesteryl oleate, which served as a nontransferable marker in the donor vesicles. The initial GM_1 transfer rate between 1-palmitoyl-2-oleoyl phosphatidylcholine vesicles at 45"0C deviated slightly from first order kinetics and possessed a half time of 3.6 days. This transfer half time is an order of magnitude shorter than that observed from the desiaylated derivative of GM_1. The transfer kinetics are consistent with the authors recent electron microscopic results suggesting a molecular distribution of GM_1 in liquid-crystalline phosphatidylcholine ...
Propylene polymerizations were carried out with {phi}{sub 2}C(Flu)(Cp)ZrCl{sub 2} and SiMe{sub 2}(Ind)2ZrCl{sub 2} catalysts supported on silica, zeolite sodic mordenite (NaM) and acid mordenite (HM). The polymerizations were performed at different temperatures and varying aluminium/zirconium molar ratios ([Al]/[Zr]). The effect of these reaction parameters on the catalyst activity was investigated using a proposed statistical experimental planning. In the case of f{sub 2}C(Flu)(Cp)ZrCl{sub 2}, SiO{sub 2} and NaM were used as support and the catalyst performance evaluated using toluene and pentane as polymerization solvent. The molecular weight, molecular weight distribution, melting point and crystallinity of the polymers were examined. The results indicate very high activities for the syndiospecific heterogeneous system. Also, the polymers obtained had superior Mw and stereo regularity. (author)
Propylene polymerizations were carried out with #phi#_2C(Flu)(Cp)ZrCl_2 and SiMe_2(Ind)2ZrCl_2 catalysts supported on silica, zeolite sodic mordenite (NaM) and acid mordenite (HM). The polymerizations were performed at different temperatures and varying aluminium/zirconium molar ratios ([Al]/[Zr]). The effect of these reaction parameters on the catalyst activity was investigated using a proposed statistical experimental planning. In the case of f_2C(Flu)(Cp)ZrCl_2, SiO_2 and NaM were used as support and the catalyst performance evaluated using toluene and pentane as polymerization solvent. The molecular weight, molecular weight distribution, melting point and crystallinity of the polymers were examined. The results indicate very high activities for the syndiospecific heterogeneous system. Also, the polymers obtained had superior Mw and stereo regularity. (author)
A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecularsieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux and separation factor ...
The diffusion of methane confined in nano-porous carbon aerogel with the average pore size 48 {angstrom} and porosity 60% was investigated as a function of pressure at T = 298 K using quasi-elastic neutron scattering (QENS). The diffusivity of methane shows a clear effect of confinement: it is about two orders of magnitude lower than in bulk at the same thermodynamic conditions and is close to the diffusivity of liquid methane at 100 K (i.e. {approx} 90 K below the liquid-gas critical temperature T{sub C} {approx} 191 K). The diffusion coefficient (D) of methane initially increases with pressure by a factor of {approx}2.5 from 3.47 {+-} 0.41 x 10{sup -10} m{sup 2} s{sup -1} at 0.482 MPa to D = 8.55 {+-} 0.33 x 10{sup -10} m{sup 2} s{sup -1} at 2.75 MPa and starts to decrease at higher pressures. An explanation of the observed non-monotonic behavior of the diffusivity in the confined fluid is based on the results of small-angle neutron scattering experiments of the phase behavior of ...
Reaction between [V^I^VO(acac)2] and the ONN donor Schiff base Hpydx-aepy (I) (Hpydx-aepy=Schiff base obtained by the condensation of pyridoxal and 2-aminoethylpyridine) resulted in the formation of a complex [V^I^VO(acac)(pydx-aepy)] (1). Addition of aqueous 30% H2O2 to 1 yields the poor stable oxidoperoxidovanadium(V) complex [V^VO(O2)(pydx-aepy)] (2). Its formation has also been demonstrated in solution by treating 1 with H2O2 in methanol. Reaction of vanadium exchanged zeolite-Y with I in methanol followed by aerial oxidation gave zeolite-Y encapsulated dioxidovanadium(V) complex, abbreviated as [V^VO2(pydx-aepy)]-Y (4). The crystal and molecular structure of 1 has been determined, confirming the ONN binding mode of the ligand. The encapsulated complex [V^VO2(pydx-aepy)]-Y (4) catalyse...
A string sieve is proposed which includes a frame, a sifting surface made of string, a device for attaching the strings made in the form of rollers installed in staggered order and a tensing device attached to traverses. To improve the effectiveness of sifting by self cleaning of the sifting surface during operation, the rollers are installed on the traverses by means of a unit of hinges, whose elastic elements are made with varying rigidity.
This patent describes a catalyst comprising: (a) a non-zeolitic inorganic oxide matrix, and (b) an ultrastable Y-type crystalline zeolite, the ziolite having been pretreated by contacting the zeolite with a phosphorus compound selected from the group consisting of phosphoric acid, phosphorous acid, a salt of phosphoric acid, a salt of phosphorous acid, and mixtures thereof for a time sufficient to composite an effective amount of phosphorus with the zeolite.
The effect of treatment with hydrogen, hydrogen sulfide, and steam on the catalytic properties of NaY zeolites has been studied. A mechanism has been proposed for activation of the zeolites, which explains the appearance of Broensted acid centers on modified samples. The influence of modification temperature and the degree of decationization of the zeolites on the promoting capacity of the latter in the cumene cracking reaction has been studied.
A process is provided for conducting organic compound conversion over a catalyst composition comprising a supported crystalline zeolite having a high initial silica-to-alumina mole ratio, said supported zeolite being prepared by compositing said crystalline zeolite with alumina, reacting the composite with a particular hydrogen fluoride solution in a specified way, drying the hydrogen fluoride reacted composite, treating the dried composite by hydrolysis, ammonolysis and/or by contact with an ammonium salt solution, and calcining the resulting material.
Y-zeolite supported catalysts were applied to the hydrocracking of coal-derived liquids. By the introduction of two-stage upgrading consisting of hydrotreating and hydrocracking, Wandoan coal-derived middle distillate was hydrocracked over Ni-Mo/Y-zeolite, producing a high gasoline fraction yield. Zeolite supported catalysts gave little hydrocracked compounds in the hydroprocessing of coal-derived heavy oils, even after hydrotreatment. The reaction inhibitors which seriously poison the active sites of zeolites were found to be small nitrogen-containing molecules. In the hydroprocessing of coal-derived heavy oils, zeolite supported catalysts were inferior to alumina supported catalysts. This is due to the high hydrocracking but low hydrogenation activity of zeolite supported catalysts. 22 refs., 5 figs., 11 tabs.
The efficiency of the synthesized zeolite NaY from rice husk ash (RHA) in the removal of Cr(III) from aqueous solution was studied. Zeolite NaY was synthesized from RHA via seeding technique and the identification of its structure was done by X-ray Diffraction (XRD) technique and the elemental analysis was carried out by X-ray Fluorescence (XRF). The physicochemical properties which were related to the use of the zeolite NaY as a sorbent was also investigated. The synthesized zeolite NaY has higher cation exchange capacity (CEC) than the commercial zeolite NaY due to the higher amount of sodium content in the synthesized as well as the lower ratio of silica to alumina. The synthesized zeolite NaY together with the commercial one as comparison was used in the sorption of the Cr(III) in aqueous solution by batch sorption experiments. The kinetic study showed that ...
A process is provided for conducting organic compound conversion over a catalyst composition comprising a specially treated crystalline zeolite having a high initial silica-to-alumina mole ratio, said zeolite having been synthesized from a reaction mixture comprising a diamine as a cation source. The treatment of the zeolite material comprises the sequential steps of reacting the zeolite with a dilute hydrogen fluoride solution, contacting the hydrogen fluoride solution reacted material with aluminum chloride vapor, and then treating the aluminum chloride contacted material to convert it to hydrogen form.
The transfer kinetics of the neutral glycosphingolipid gangliotetraosylceramide (asialo-GM1) were investigated by monitoring tritiated asialo-GM1 movement from donor to acceptor vesicles. Two different methods were employed to separate donor and acceptor vesicles at desired time intervals. In one method, a negative charge was imparted to dipalmitoylphosphatidylcholine donor vesicles by including 10 mol% dipalmitoylphosphatidic acid. Donors were separated from neutral dipalmitoylphosphatidylcholine acceptor vesicles by ion-exchange chromatography. In the other method, small, unilamellar donor vesicles and large, unilamellar acceptor vesicles were coincubated at 45 degrees C and then separated at desired time intervals by molecularsieve chromatography. The majority of asialo-GM1 transfer to acceptor vesicles occurred as a slow first-order process with a half-time of about 24 days assuming that the relative concentration of asialo-GM1 in the ...
A new dirhenium(I) complex fac-[{Re(CO)3(4,7-dinonadecyl-1,10-phenanthro -line)}2 (4,4'-bipyridyl)] (trifluoromethanesulfonate)2 (denoted as D-Re(I) ) is assembled in MCM-41 and SBA-15 type mesoporous silica support. The emission peaks of D-Re(I) in D-Re(I)/MCM-41 and D-Re(I)/SBA-15 are observed at 522 and 517 nm, respectively. Their long excited lifetimes, which are of the order of microseconds, indicate the presence of phosphorescence emission arising from the metal to ligand charge-transfer (MLCT) transition. The luminescence intensities of D-Re(I)/MCM-41 and D-Re(I)/SBA-15 decrease remarkably with increase in the oxygen concentration, meaning that they can be used as optical oxygen sensing materials based on luminescence quenching. The ratios I0/I100 of D-Re(I)/MCM-41 and D-Re(I)/SBA-15 are estimated to be 5.6 and 20.1, respectively. The obtained Stern-Volmer oxygen quenching plots of the mesoporous sensing materials could be fitted well to the two-site Demas model and Lehrer ...
Processes for the hydrogenation of carbon monoxide have had commercial importance since about 1920, when the commercial production of methanol and higher alcohols on oxide catalysts began. Soon thereafter Fischer and Tropsch discovered that liquid hydrocarbons could be synthesized from carbon monoxide and hydrogen over Group VIII metal catalysts. Following extensive catalyst and process development efforts, this technology provided Germany with a source of liquid fuels during World War II. The period following the war saw an acceleration in research and development on the Fischer-Tropsch process, but the only commercial application that was to emerge was the SASOL process in the Union of South Africa. The oil crises of the 1970s have rekindled worldwide interest in indirect liquefaction technologies for the production of clean, high-quality motor fuels from coal. The development of more efficient coal gasification processes and the advent of molecular ...
There are five tasks within this project on thermally stable coal-based jet fuels. Progress on each of the tasks is described. Task 1, Investigation of the quantitative degradation chemistry of fuels, has 5 subtasks which are described: Literature review on thermal stability of jet fuels; Pyrolytic and catalytic reactions of potential endothermic fuels: cis- and trans-decalin; Use of site specific {sup 13}C-labeling to examine the thermal stressing of 1-phenylhexane: A case study for the determination of reaction kinetics in complex fuel mixtures versus model compound studies; Estimation of critical temperatures of jet fuels; and Surface effects on deposit formation in a flow reactor system. Under Task 2, Investigation of incipient deposition, the subtask reported is Uncertainty analysis on growth and deposition of particles during heating of coal-derived aviation gas turbine fuels; under Task 3, Characterization of solid gums, sediments, and carbonaceous deposits, is subtask, Studies ...
Hydrogenation of carbon monoxide at 101.3 kPa has been studied over a series of ion-exchanged Ru catalysts supported on NaX, NaY, KL, Na mordenite, and HY zeolites. The type of zeolite had pronounced effects on the activity and selectivity of the Ru. The specific activity would appear to be related to the dispersion of reduced ruthenium in the zeolite. Methane selectivity, however, seems to be strongly influenced by the type and concentration of alkali cations remaining in the ion-exchanged zeolite. These cations appear to promote chain growth much as traditional alkali promoters would, though perhaps more indirectly. Due to bifunctional properties of the zeolite-supported catalysts, a significant fraction of C/sub 4/ was in the form of isobutane. Formation of isobutane seems to be related to either the Si/Al ratio in the zeolites or the concentration of the ...
Catalytic reactions of 3-methylpentane and 2,3-dimethylbutane on HY, amorphous silica-alumina, and HZSM-5 have been studied at 500{degree}C. Both kinetic phenomena and product selectivities have been reported. Cracking reactions an HZSM-5 can be attributed to initiation through protonation occurring at Bronsted sites. Bimolecular processes leading to chain reaction via hydride transfer are restricted within the narrow pore pentasil zeolite. On HY and amorphous silica-alumina, initiation of cracking also occurs at Bronsted sited. No direct evidence was found for participation of Lewis acid sites on the catalyst framework itself. Following initiation, reactions on these catalysts are accelerated through a chain process occurring at Lewis sites generated by adsorption of product olefins at Bronsted sites. The resulting change in the dominant cracking mechanism is reflected in the product selectivity, illustrated here by a falling off in formation of ...
Transient experiments in a Temporal Analysis of Products (TAP) Reactor were performed to elucidate the role of surface oyxgen species in the oxidation of benzene to phenol on ZSM-5 type zeolites with nitrous oxide as a selective oxidant. It was shown by puls experiments with nitrous oxide that the mean lifetime of the generated surface oxygen species is between 0.2s at 500 C and about 4.2 s at 400 C. Afterwards the surface oxygen species desorb as molecular oxygen into the gas phase where total oxidation will take place if hydrocarbons are present. Dual puls experiments consisting of a nitrous oxide puls followed by a benzene puls allowed studying the reactivity of the surface oxygen species formed during the first puls. The observation of the phenol formation was impeded due to the strong sorption of phenol. Multipulse experiments were necessary to reach a pseudo steady state phenol yield. (orig.)
ObjectivesThe overall aim of this work is to use an in-situ FTIR probe to investigate selected heterogeneous catalysts in industrially relevant organic reactions. This approach will be broadly applicable to the UK fine chemical manufacturing base.~%~~%~The project has the following specific objectives:~%~~%~- To demonstrate and develop the use of an in-situ FTIR probe in a batch reactor at elevated temperatures (eg greater than 100 deg C) to monitor reactant usage and product formation.~%~~%~- To validat [continued...]DescriptionThis proposal concerns the in-situ study of catalytic processes and reaction kinetics. The catalysts concerned are microporous materials, such as, zeolites, containing pores and cavities of molecular dimensions. These catalysts constitute crystal reactors on a nanometer scale that are selective on a size and shape basis for organic molecules used in this ...
In the dehydrodesulfurization of ethanethiol at 400/sup 0/C, the activities of sodium X, Y, and A zeolites decreased in the order given as did the activities of nickel, cobalt, zinc, cadmium, copper, silver, lead, manganese, barium, calcium, sodium, and iron Y zeolite catalysts. A volcano-shape order was observed between the catalytic activity and the electronegativity of the metal ions. The changes in the activity of hydrogen Y zeolite catalyst in ethanethiol dehydrodesulfurization and cumene dealkylation by calcination agreed with the decrease in the Broensted acidity but were independent of Lewis acidity. For hydrodesulfurization of thiophene, the activities of nickel, cobalt, copper, and silver Y zeolite catalysts decreased in the order given and were greater than for a commercial hydrodesulfurization catalyst; reduced and presulfided catalysts showed selective hydrodesulfurization activity. ...
The combined Lewis and Broensted acidities were measured of 13X (sodium) zeolite and of its 84.2% calcium-exchanged, 86.0% lanthanum-exchanged, and 69.2% protonated forms, calcined at 400/sup 0/C. The butylamine titrations were performed to visible color changes of Hammett indicators. The H/sub 0/ acidities were 0 for the sodium X zeolite, and 0.2, 0.98, and 0.75 for the calcium, lanthanum, and hydrogen zeolites, respectively. These acidities compared well with trends reported in literature for zeolites pretreated under different conditions. Titration of Broensted sites with arylmethanol indicators did not give satisfactory visible endpoints.
This work investigates the effect of excipient particle size on compaction properties of brittle, plastic and viscoelastic materials with and without added lubricants. Sieve cuts of Microcrystalline...Full Text Available
A preliminary investigation was completed on the characterization and decontamination of coral samples from Johnston Island. These samples were found to contain individual particles (2 to 0.25 mm) of contaminated coral as well as a piece of contaminated magnetic metal. They ranged in activity from about 70 to 811 nCi Am-241. The decontamination methods investigated were froth flotation, ferrite treatment, attrition scrubbing, ultrasonic treatment and dry sieving. Dry sieving, the more effective technique, separated about 42 wt % of the coral into a decontaminated fraction. This fraction (>4 mm) contained about 0.5% of the total activity. 7 refs., 3 tabs.
By isomorphous replacement of silicon by phosphorus the authors have synthesized crystalline aluminosilicophosphates with structures of the zeolites type A and faujasite. They determine the adsorption capacity of specimens treated at 575-1275/sup 0/K. They show that the thermal stability and acid resistance of aluminosilicophosphates depend on the quantity of phosphorus in their structure.
The methods of diffuse-reflection optical spectroscopy and EPR were used to study the state of molybdenum in catalysts prepared by impregnating ultrastable zeolite with molybdenum salt solutions and by mixing in the solid phase with MoCl/sub 5/. It has been shown that molybdenum introduced into zeolites in small amounts is found basically in the form of isolated hexavalent ions of molybdenum. In addition, Mo/sup 5 +/ and Mo/sup 4 +/ ions are also present. Heteropolycompounds also form. The molybdenum ions are most readily reduced in the zeolite prepared by impregnation with a solution of ammonium paramolybdate.
Zeolite Y is the active component of most commercial cracking catalysts. Interaction of H[sub 3]PO[sub 4] with extraframework aluminum of ultra-stable zeolite (USY) leads to the formation of different types of aluminum phosphates, while there is no indication of the formation of SAPO zeotype structures. The total acidity of USY slightly decreases upon the H[sub 3]PO[sub 4] treatment, while the maximum in the distribution of acid strength is shifted to milder acidities. Dealumination of the zeolite and creation of POH sites associated with AIPO[sub 4] are responsible for the modifications observed. 37 refs., 8 figs., 3 tabs.
The surface composition and composition near the surface and properties of high-silica zeolites of the TsVK-1 type were studied by XPES, IRS, and low-temperature adsorption of N/sub 2/. It was found that changing the sequence of operations during preparation of the H form of the zeolites results in a different set of acid centers on their surface, caused by migration of cations into the bulk of the zeolites. Migration of elements is also observed during the catalytic reaction of conversion of ethanol.
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.
Silver zeolite is used to capture radioiodines from air cleaning systems in some nuclear facilities at the Idaho National Engineering Laboratory. It may become radioactively contaminated and/or poisoned by hydrocarbon vapors, which diminishes its capacity for iodine. Silver zeolite contains up to 38 wt% silver. A pyrometallurgical process was developed to reclaim the silver before disposing of the unserviceable zeolite as a radioactive waste. A flux was formulated to convert the refractory aluminosilicate zeolite structure into a low-melting fluid slag, with Na{sub 2}O added as NAOH instead of Na{sub 2}CO{sub 3} to avoid severe foaming due to CO{sub 2} evolution. A propane-fired furnace was built to smelt 45 kg charges at 1300C in a carbon-bonded silicon carbide crucible. A total of 218 kg (7000 tr oz) of silver was reclaimed from 1050 kg of unserviceable zeolite. Silver recoveries ...
The research has involved the characterization of catalyst acidity, [sup 2]D NMR studies of Bronsted acid sites, and kinetic, calorimetric, and spectroscopic studies of methylamine synthesis and related reactions over acid catalysts. Approach of this work was to explore quantitative correlations between factors that control the generation, type, strength, and catalytic properties of acid sites on zeolite catalysts. Microcalorimetry, thermogravimetric analysis, IR spectroscopy, and NMR spectroscopy have provided information about the nature and strength of acid sites in zeolites. This was vital in understanding the catalytic cycles involved in methylamine synthesis and related reactions over zeolite catalysts.
Using the infrared spectroscopy method, we have studied the effect of thermal dehydration (under vacuum and in air) and treatment with water vapor on the acid centers of very high silicon zeolites of the ZSM type. We have shown that dehydration under vacuum and in air completely and irreversibly removes the OH groups at 1120/sup 0/K, while treatment with water vapor removes these groups at 770/sup 0/K. The Lewis acid centers of dehydrated zeolites (represented by two types of centers) are more heat-stable than the Bronsted acid centers, but the vapor treatment at 1020/sup 0/K leads to the disappearance of the Lewis acid centers. In this work, we discuss the reasons for destruction of the acid centers of the zeolites under different treatment conditions.
A phosphorus-containing low alkali metal content zeolitic catalyst made from a clay starting material is provided. The catalyst is obtained by contacting a partially cation exchanged calcined zeolite-containing catalyst with a dihydrogen phosphate anion or a dihydrogen phosphite anion. A hydrocarbon catalytic cracking process utilizing the phosphorus-containing catalyst is also provided.
A phosphorus-containing low alkali metal content zeolitic catalyst made from a clay starting material is provided. The catalyst is obtained by contacting a partially cation exchanged calcined zeolite-containing catalyst with an anion such as a dihydrogen phosphate anion or a dihydrogen phosphite anion and additionally with an ammonium salt other than a salt of an inorganic acid of phosphorus. A hydrocarbon catalytic cracking process utilizing the phosphorus-containing catalyst is also provided.
Clays and zeolites are among the most important of natural dusts by virtue of their occurrence through out the world on the earth`s surface and their important industrial uses. (The 1:1 layer silicates, including the serpentine and kaolin minerals, are not addressed in this chapter.) This chapter provides basic information on a variety of important aspects of each mineral, including crystal structure diagrams of each and references to more detailed discussions. 110 refs., 20 figs.
Hydrothermal method for preparing crystal borophosphate with zeolite structure is suggested. To increase absorption capacity and thermal stability of final product, aluminium hydroxide sol, ethylenediamine and ethyl acetate are added to the mixture of crystal boric and concentrated phosphoric acids. Thermal stability of the specimens prepared constitutes 880-950 deg, water absorption capacity is within the limits of 0.30-0.32 cmT/g. 1 table.
The catalytic performance of alkaline-treated zeolite H-ZSM-5 in the conversion of methanol to gasoline has been studied. After treatment with 0.20M NaOH, the total conversion capacity increased by a factor of 3.3, and the selectivity towards the gasoline fraction increased by a factor of 1.7. Physical characterization indicated the formation of mesopores and improved crystallinity.
An IR spectroscopic study of the reduction of copper-exchanged Linde Na-Y zeolite with hydrogen or carbon monoxide and oxidation with oxygen or oxygen-18 showed that copper(I) and AlO(+1) are formed during reduction, and that oxidation generates copper(II) ions but does not change the aluminum species. Trigonally coordinated aluminum was not detected.
The work presented in part 1 of this study established that the sorption of anhydrous HX into dehydrated Na{sub 56}Y progresses through a sequence of steps involving HX ionization and charge separation, oxygen framework protonation, formation of {alpha}-cage confined cation-anion contact ion pairs, and proton solvation by HX. A logical extension, which is the subjected of this study, concerns the effect of extraframework alkali metal cation type (M = Li{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}) on the sorption process. The question of the acidity of proton-loaded zeolites compared to Broensted acid zeolites is addressed by using probe reactions with weak bases like ethane and cyclopropane. Additional insight into these systems is also obtained from a quantitative comparison of the kinetic and thermodynamic activation parameters for the dehydrohalogenation of proton-loaded zeolites exemplified by (HX){sub 8}Na{sub ...
A detailed study of adsorption of automobile exhaust hydrocarbons in Ag{sup +}-exchanged zeolites under cold-start conditions (room temperature and in the presence of water) was carried out with FT-IR spectroscopy, using toluene and propylene as probes. The results show that exchanged Ag{sup +} in zeolites is unique for trapping olefin and aromatic hydrocarbons due to its resistance to water adsorption. In contrast, exchanged Cu{sup 2+} in zeolites, which has good hydrocarbon trapping properties under dry conditions, does not trap hydrocarbons under wet conditions. Here, solvation of Cu{sup 2+} screens the interactions of the cation with adsorbed hydrocarbons. The results also show that, in addition to the nature of the cation, the structure of the zeolite also plays a role in hydrocarbon trapping. Aging at high temperatures, with water vapor (=10%) and SO{sub 2} (=15ppm), leads to a decrease of the ...
The overall objective of this research work was to prepare hydrocracking catalysts using amorphous silica-alumina (ASA) supports in combination with USY and {beta}-zeolites. Three supports: namely silica-alumina, USY and {beta}-zeolites were selected to prepare the extrudates using AP-1 as a binder, while two metal pairs: namely Ni-W and Ni-Mo were loaded on the extrudates through co-impregnation using incipient wetness technique. The catalysts were then calcined at 550C for 2h. The catalysts were tested in a fixed-bed flow reaction system for their activity, using desulfurized vacuum gas oil (DS-VGO) as a feedstock. The catalytic evaluation results of the catalysts showed that {beta}-zeolite alone and in combination with the ASA used in this study, has a potential as a support for developing heavy oil hydrocracking catalysts. A balance of weak and strong acidities of {beta}-zeolite provides control ...
The nature of extralattice aluminum and its effect on acidity in zeolites was studied. A series of zeolites (some commercial), dealuminated by various methods, were obtained having Si/Al ratios between 1.5 and 20. These were characterized using volumetric sorption, XRD, AA, NMR, and reaction studies. Samples dealuminated using ammonium hexafluorosilicate were found to contain little or no extralattice aluminum. In contrast, steam-dealuminated zeolites had large amounts of extralattice aluminum. In some cases a significant portion of the extralattice aluminum was unobservable by [sup 27]Al NMR, suggesting the existence of an aluminum species of low symmetry. Proton NMR indicated that all the protons were associated with the lattice aluminum atoms. Depending on the preparation history, different groups of H-Y zeolites exhibited different maxima in catalytic activity as a function of aluminum content. The ...
A fusion reactor (such as NET/ITER) which breeds its own tritium fuel requires tritium recovery, purification and separation from the other isotopes. Cyclic adsorption processes are strong candidates for several of the processes involved: amongst other advantages, they promise a low tritium inventory. A good adsorbent for such processes must have high adsorption capacity, high selectivity and very low tritium retention after each cycle. Pure zeolite powder is shown to have an excellent combination of these three properties. However, in practice problems can arise from tritium which is not removed by reactivation. In this paper we show that tritium retention in zeolites can be caused either by water retained in the zeolite structure, which can be removed by ore rigorous activation, or by water tapped on binders in commercial pellets. (orig.).
We have obtained convincing evidence for localization of the optical electron on a single-ring fragment of a chelated bipyridine-like'' ligand (ie., pyridylpyrazine or 4-Methyl-bipyridine). In addition we have completed studies of Ru(bipyrazine){sub 3}{sup 2+} in aqueous sulfuric acid (0--98% by weight) and find clear evidence for sequential addition of six-protons to the six peripheral nitrogen atoms. Studies of zeolite-entrapped complexes are continuing and a series of homo- and heteroleptic complexes have been prepared and characterized. Finally, the synthesis of zeolite-entrapped metallophthalocyanines has now been developed and the copper and cobalt analogues synthesized. The characterization of these materials is now in progress.
Copper complexes of the amino acids histidine, arginine and lysine have been introduced into the supercages of zeolite Y and, for the first time, into the large intracrystalline cavities of zeolites EMT and MCM-22. The resulting host/guest compounds are characterized by X-ray powder diffraction, UV/VIS-spectroscopy in the diffuse reflectance mode and by catalytic tests in the liquid-phase oxidation of aromatic alcohols (viz. benzyl alcohol, 2- and 3-methylbenzyl alcohol and 2,5-dimethylbenzyl alcohol) with tertiary-butylhydroperoxide as oxidant. It was observed that intracrystalline copper-amino acid complexes possess remarkable catalytic activity, yielding the corresponding aromatic aldehydes and acids. (orig.)
{sup 1}H, {sup 13}C, {sup 27}Al, and {sup 29}Si magic-angle-spinning (MAS) NMR was used to elucidate the nature of the catalytic activity of zeolite H-ZSM-5. {sup 1}H MAS NMR of sealed samples after mild hydrothermal dealumination shows that the enhanced activity for n-hexane cracking is not due to an enhanced Bronstead acidity. The concentrations of the various OH groups and aluminous species suggest that the reason for the enhanced catalytic activity is the interaction of the n-hexane molecule with a bridging hydroxyl group and with extra-framework aluminium species, which give rise to the enhanced activity, cannot be easily removed from their positions, and are therefore immobilized by the zeolitic framework.
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.
The effect of treatment of Na-forms of zeolites with HCl solutions and of heat treatment of their NH/sub 4/-forms on the stability of aluminum-oxygen tetrahedra has been studied in this work by high-resolution NMR on /sup 29/Si nuclei, using the synthetic zeolites X, Y, and M (mordenite) as the objects of the study. The exchange capacity with respect to Na/sup +/ ions was determined by analyzing the equilibrium solutions after contact of the samples with 0.5 NH/sub 4/Cl solution on a flame photometer. The high-resolution /sup 29/Si NMR spectra of polycrystalline samples were recorded on an SKhR-200 spectrometer with a superconducting solenoid at a frequency of 39.75 MHz with ultrafast mechanical rotation (3 kHz) of the sample at the magic angle to the external magnetic field. The results obtained are given.
A research was started aiming at evaluating the possible use of natural zeolites as exchange conditioners to improve and make durable the soil resilience against the adverse effects of the use of anomalous waters for irrigation purposes. This paper deals with a preliminary investigation on the comparative resilience of an Entisol with poor exchange properties and of a Neapolitan yellow tuff (NYT) sample against the adverse features of a dirty municipal sewage (DSW). Results showed that NYT treatment largely and significantly improved the poor soil exchange activity. In particular. NYT exchange sites selectively took up ammonium from DSW. As a consequence, ammonium was trapped, then protected against losses in the environment and, concurrently, exchangeable cations, such as K and Ca, were made free as plant nutrients. The results highlight the possible positive role of zeolitized tuff in restoring and sustaining soil resilience.
Abstract Remediation of ground water containing anionic contaminants presents a great challenge. Because of its low cost, surfactant-modified zeolite (SMZ) has been studied for >10 years for potential uses as permeable barrier materials to remove anionic contaminants from water. In this study, zeolite aggregates with particle size of 3.4 to 4.8 mm were modified by hexadecyltrimethylammonium (HDTMA) bromide, a cationic surfactant, to a surfactant loading level of 80 mmol/kg and a concurrent counterion bromide loading level of 34 mmol/kg. While no retardation of chromate transport was observed for unmodified columns, a retardation factor of 60 was found for chromate transport through the SMZ columns. Slow but persistent desorption of HDTMA occurred throughout the chromate transport experimen...
The N{sub 1s} XPS band of pyridine chemisorbed on Al-ZSM-5 zeolite was found to be properly deconvoluted into three component peaks. In a previous contribution these three components were assigned to pyridine chemisorbed on two kinds of Bronsted acid sites and one Lewis acid site. This analysis is extended here to Fe-ZSM-5 and B-ZSM-5. Isomorphous substitution of Fe for Si or Al in the zeolite framework leads to a slight decrease in the binding energy of the N{sub 1s} Lewis component. In the case of B substitution a decrease in the binding energy of all three N{sub 1s} components is observed.
The evaluation of the bactericidal effect of different silver-containing materials where silver is available as Ag^+ (silver nitrate and different silver-exchanged zeolites), as metallic Ag^0 (commercial silver nanoparticles) or as oxide (silver (I) oxide) was carried out in order to elucidate the importance of the bioavailability of silver (i.e., as free ions, metallic particles, combination of them, clusters, complexes, partially soluble or insoluble salts, etc.) on its bactericidal action. For the different materials tested, their bactericidal effect is ordered in the following sequence: AgNO"3>Ag-ZSM-5>Ag"2O>commercial silver-exchanged zeolite (granular)>commercial silver-exchanged zeolite (pellets)>Ag nanoparticles. In general, as the content of bioavailable ionic silver increases, th...
A few industry-derived and conventional building materials have above acceptable radioactivity. An examination of some materials presently used, or with a potential for use, has shown that in phosphogypsum, fly ash, zircon kyanite tailings, red mud and brickmaking clay, the radium equivalent activities of the finer fractions (<53 #mu#) are higher than those of the larger fractions. Consequently, the radioactivity of these materials could be reduced by dry-sieving and discarding the fines. In blast furnace slag and dissociated zircon, no such reduction would occur since the radioactivity is evenly distributed in all sized fractions.
The exchange of Eu[sup 3+] for Na[sup +] cations into the sodalite cages of X zeolite (Eu[sub 25]Na[sub 11]X) leads selectively to the isomerization reaction of cyclopropane to propylene. The latter reaction is catalyzed by Broensted acid sites with an apparent activation energy of 10.6 kcal/mol. Sorption measurements of cyclopropane and propylene with Eu/NaX and NaX zeolites at 40 C support the view that Na[sup +] cations might be considered as sites for sorption of these molecules. Force fields created by Eu[sub 4]O[sup 10+] present in Eu/NaX zeolite may affect sorption. On the other hand, Broensted acid sites in Eu/NaX enhance sorption of cyclopropane and propylene at 40 C. Chemisorption of propylene on the Broensted acid sites of Eu/NaX is reversible and may occur via a propylene carbenium cation intermediate. Small amounts of hexene are formed during this sorption. The amount of Broensted acid sites in the present ...
A catalytic process for the oxidation of sulfur-containing gases , E.G., sulfur dioxide and simultaneous production of sulfuric acid wherein a sulfur-containing gas is reacted with an oxygencontaining gas in the presence of a catalyst comprising an iron group metal on a solid support comprising a zeolite in a silicaalumina matrix.
Correlations between structural aspects of solid materials and their behavior as catalysts are relatively recent. This 20-chapter book focuses on understanding of solid-state mechanisms in heterogeneous catalysis and relationship between catalytic behavior and solid state structure, emphasizing catalysis with oxides, sulfides, and zeolites.
This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore ...
Recently there has been considerable interest in the Cu-ZSM-5 catalysts for the selective reduction of NO by light hydrocarbons for the purpose of atmospheric pollution abatement. Isobutane and n-pentane cracking were studied over Cu zeolite catalysts and these results were compared with their HY analogues at low conversions and at temperatures of 673 K and below. Three forms of the catalysts were used: those reduced in CO at 773 K; those reduced with H[sub 2] at 473 K; and those in the oxidic form (following flushing with He at 773 K). In contrast with an earlier publication, very little difference in activity was found between the two reduced forms of the catalysts did not differ significantly from each other nor from the H-form of the zeolite. They are typical of a Bronsted acid catalysis. The oxidic form of the catalyst produced excess H[sub 2] in increasing amounts with time on stream. This could be quantitatively accounted for by the ...
This document reports the results of testing of spent ion exchange media pretreatment technologies. Emphasis of the testing activities has been on screening pretreatment technologies, such as drying and emulsification, which are compatible with vitrification, cementation, and incineration. Ion exchange media tested for cementation and incineration pretreatment technologies were typical organic ion exchange resins and inorganic zeolites. The ion exchange medium tested for vitrification pretreatment technologies was inorganic zeolite. The results of testing activities are discussed in detail in this report.
In the prevention of atmospheric pollution by sulfur dioxide emissions from acid absorbers in contact process sulfuric acid plants in which the unconverted SO/sub 2/ is accumulated by adsorption in a zeolite adsorbent bed and desorbed back into the acid production system, it is found that ambient moist air, after partial dehydration in an acid scrubber is suitably used both to cool down and hot purge desorb the zeolite beds. In addition the pure water derived from the ambient air is advantageously used in the acid-making system.
SO/sub 2/ adsorption onto faujasite-type zeolites (Na-X, Na-Y) was investigated by combined UV and IR spectroscopy. Formation of chemisorbed HSO/sub 3//sup -/ species, indicated by a UV band around 215 nm and a low-frequency IR band at 1240 cm/sup -1/, was shown to depend significantly upon the presence of water. Differences in the behavior of Na-X and Na-Y were discussed in terms of different site populations.
Genetics, Genomics, and Molecular Biology USGS scientists develop and integrate new genetic and molecular techniques into systematic analyses to describe individuals and populations of fish .....
Nanocrystalline zeolites with discrete crystal sizes of less than 100 nm have different properties relative to zeolites with larger crystal sizes. Nanocrystalline zeolites have improved mass transfer properties and very large internal and external surface areas that can be exploited for many different applications. The additional external surface active sites and the improved mass transfer properties of nanocrystalline zeolites offer significant advantages for selective catalytic reduction (SCR) catalysis with ammonia as a reductant in coal-fired power plants relative to current zeolite based SCR catalysts. Nanocrystalline NaY was synthesized with a crystal size of 15-20 nm and was thoroughly characterized using x-ray diffraction, electron paramagnetic resonance spectroscopy, nitrogen adsorption isotherms and Fourier Transform Infrared (FT-IR) spectroscopy. Copper ions were ...
Synthetic zeolite of 0.5 nm pore size (5A) and blue silica gel were tested to determine their capability to be used as radon collectors. Tests conducted in a radon chamber under controlled conditions of temperature and relative humidity indicate that simple, inexpensive and maintenance-free passive devices containing about 250 g of synthetic zeolite or about 270 g of blue silica gel in open face metal canisters that can measure radon conveniently and adequately, the latter though being suitable only for dry-medium dry atmosphere with quite high radon concentrations. Both materials can be recycled for reuse, in a way similar to the recycle and reuse of active carbon. The amount of radon adsorbed in such collectors is determined by counting the gamma rays from the radon decay products. The lower limit of detection (LLD) is estimated to {approx}45 Bqm{sup -3} for the synthetic zeolite and to {approx}350 Bqm{sup -3} for the ...
Badger (Cambridge, MA) and Mobil (Fairfax, VA) are ready to jointly license a new cumene technology that they say achieves higher yields and product purity than existing processes. The zeolite-based technology is scheduled to be introduced at next month's DeWitt Petrochemical Review in Houston. The Mobil/Badger technology aims to challenge the dominant position of UOP's (Des Plaines, IL) solid phosphoric acid (SPA) catalyst process - which accounts for 80%-90% of the world's cumene production. In addition, Monsanto/Kellogg's aluminum chloride-based technology has gained significant momentum since its introduction in the 1980s. And late last year, ABB Lummus Crest (Bloomfield, NJ) also began marketing a zeolite-based cumene technology. While all the technologies make cumene via the alkylation of benzene with propylene, the Mobil/Badger process uses a zeolite-containing catalyst designed by ...
Background: We consider cells as biological systems that process information by means of molecular codes. Many studies analyze cellular information processing exclusively in syntactic terms (e.g., by measuring Shannon entropy of sets of macromolecules), and abstract completely from semantic aspects that are related to the meaning of molecular information. Methods: This mini-review focusses on semantic aspects of molecular information, particularly on codes that organize the semantic dimension of molecular information. First, a general conceptual framework for describing molecular information is proposed. Second, some examples of molecular codes are presented. Third, a mathematical approach that makes the identification of molecular codes in reaction networks possible, is developed. Results...
We report the existence of a previously unsuspected peak in the [sup 1]H magic angle spinning spectrum of commercially available HZSM-5 samples. At 298 K, this resonance is a broad shoulder on the downfield side of the Bronsted acid signal at 4.3 ppm. Cooling the sample caused the line to narrow, and a clear peak at 6.9 ppm was visible at 123 K. This technique resulted in selective broadening of the 4.3 and 6.9 ppm resonances as a result of conflicting averaging of the [sup 1]H-[sup 27]Al dipolar coupling. We conclude that the 6.9 ppm resonance corresponds to a novel aluminum-containing site in zeolite HZSM-5 and is not an artifact due to exchange with the Bronsted site or an aluminum-rich impurity phase. A possible interpretation of these results is a second Bronsted site for the zeolite. 49 refs., 8 figs.
This report summarizes the findings of a five-month LDRD project funded through Sandia's NTM Investment Area. The project was aimed at providing the foundation for the development of advanced functional materials through the application of ultrathin coatings of microporous or mesoporous materials onto the surface of substrates such as silicon wafers. Prior art teaches that layers of microporous materials such as zeolites may be applied as, e.g., sensor platforms or gas separation membranes. These layers, however, are typically several microns to several hundred microns thick. For many potential applications, vast improvements in the response of a device could be realized if the thickness of the porous layer were reduced to tens of nanometers. However, a basic understanding of how to synthesize or fabricate such ultra-thin layers is lacking. This report describes traditional and novel approaches to the growth of layers of microporous materials on silicon wafers. The ...
The selective catalytic reduction of nitric oxide by methane over copper ion-exchanged natural zeolites was investigated in a packed-bed tubular reactor. The catalytic activity of Cu-N and Cu-H-N catalysts was confirmed as NO, CH{sub 4}, and O{sub 2} displayed very little reaction in the absence of any catalyst and zeolite without ion exchange was totally inactive. A maximum NO conversion of 33% at 650 C for Cu-N-66 was achieved with 2% NO and 1% CH{sub 4} and a contact time of 0.9 g s/cm{sup 3}, but the introduction of 2% O{sub 2} reduced the NO conversion to only 12%. Ion exchange for the H-form prior to copper ion exchange was essential for oxygen to promote catalytic activity over the temperature range 250--650 C, with a maximum conversion of 30% at 450 C with O{sub 2} present. The direct reduction of NO by methane was ruled out as a possible reaction pathway.
Development was explained of non-phosphate detergent with zeolite (Z) and alpha-olefin sulfonate (AOS). 4A type Z was taken notice of as a builder to replace phosphate. In calcium ion trapping power, conventional sodium tripolyphosphate (STP) and Z are 158mgCaO/g and 150mg/g, respectively. However, because Z by the conventional method is large in crystal diameter, coagulates and adheres to matter to be washed, was newly developed fine Z, 0.9 {mu} m in primary grain diameter, which does not give abrasion nor occlusion to the washing machine, nor precipitate in the river. Because linear alkylbenzene sulfonate, combined with Z, is poorer in washing power than that, done with STP, was developed AOS, new non-phoshate use interfacial active detergent, which is excellent in all washing power, biodegradation speed and physical powder property. Improvement was variously made also in powdery detergent production technology. Though the non-phosphate detergent controlled water ...
This thesis is in the field of gas emission control from automobile and stationary sources. Out of the possible approaches to the elimination of pollutant gases, such as nitrogen oxides (NO{sub x}), one consists in the selective catalytic reduction (SCR) of these NO{sub x} on a suitable heterogeneous catalyst. Ammonia or hydrocarbons are employed as reducing agents. The most important catalysts active in the SCR of NO{sub x} are based on ions of transition metal either supported on several oxides or dispersed in zeolites. The catalysts have been characterized by electron magnetic resonance techniques (EPR, ENDOR, ESEEM) and the interaction of catalysts with nitrogen oxides, with reducing and poisoned agents have been followed with the same techniques. Copper dispersed on alumina and its interaction with both NO and ammonia has been investigated. Also the interaction between both water and ammonia with copper dispersed in zeolite ZSM-5 has been ...
Cobalt supported on Beta zeolite catalysts were prepared by impregnation of metal salts in aqueous solution and were tested for the Fischer Tropsch reaction. The support consisted of a Beta zeolite composed by crystallites of nanometric dimensions and a SiO2/Al2O3 molar ratio of about 50. This support was impregnated with Co(NO3)2 aqueous solution using different metal loads of 7.5, 10, 15 and 20wt% Co. These materials were characterized by X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), N2 adsorption (BET), thermal programmed reduction (TPR) and FTIR of adsorbed pyridine (i.e., surface acid sites distribution). All the catalysts showed a significant catalytic activity for the F-T reaction from synthesis gas (CO+2H2), in a continuous fixed bed reactor sys...
The Process Waste Treatment Plant (PWTP) at the Oak Ridge National Laboratory is designed to remove radioactive contaminants, principally {sup 90}Sr, from process wastewater. Planned upgrades to the PWTP will use chabazite zeolite columns. Pilot-scale studies have shown that mass transfer zone lengths increase from 10 to about 30 cm as the superficial velocity increases from 5.5 to 22 cm/min. Calculations with a multicomponent equilibrium model showed that the distribution coefficient for strontium remains essentially constant over the process conditions, suggesting that a simple kinetic model (the Rosen long-bed solution) should adequately represent breakthrough behavior. Using a distribution coefficient of 4.87 L/g predicted by the equilibrium model, good agreement was found between experimental breakthrough curves and those calculated with the Rosen solution. This model allows prediction of bed depths and cycle times necessary to achieve the required ...
Shoot tips with 3-4 leaf primordia were excised from in vitro-grown sweetpotato plants (Ipomoea batatas) infected with little leaf phytoplasma (Candidatus Phytoplasma aurantifolia) and subjected to cryotherapy. All plants regenerated from the cryo-treated shoot tips were free of phytoplasma, whereas shoot tip culture or dehydration of shoot tips without subsequent cryotherapy resulted in phytoplasma-free plants at a frequency of only 7-10%. Histological and ultrastructural studies with light and transmission electron microscopy, respectively, indicated that cryotherapy was lethal to all cells except those in the apical dome of the meristem and the two youngest leaf primordia. These surviving parts of the shoot tip contained vascular tissue and sieve elements, but electron microscopy showed...
In this study, a two-step process was developed to produce biodiesel from Calophyllum inophyllum oil. Pre-treatment with phosphoric acid modified b-zeolite in acid catalyzed esterification process preceded by transesterification which was done using conventional alkali catalyst potassium hydroxide (KOH). The objective of this study is to investigate the relationship between the reaction temperatures, reaction time and methanol to oil molar ratio in the pre-treatment step. Central Composite Design (CCD) and Response Surface Methodology (RSM) were utilized to determine the best operating condition for the pre-treatment step. Biodiesel produced by this process was tested for its fuel properties.
Selectivity control is a key issue in the zeolite facilitated conversion of methanol to hydrocarbons. This work addresses: (a) How the zeolite topology (MFI versus BEA) determines the type of intermediate participating in the catalytic cycle thereby controlling the ethene/propene product selectivity in the methanol to alkenes reaction, and (b) to what extent light alkene formation occurs via aromatic and alkene reaction intermediates for H-ZSM-5. Three catalyst samples have been studied in experiments relying on isotopic labeling. For H-beta, penta- and hexamethylbenzene are involved in an aromatics based hydrocarbon pool type mechanism leading predominantly to propene and the higher alkenes (a very low yield of ethene is observed), whereas for H-ZSM-5, the lower methylbenzenes are the aro...
Abstract In this study, surfactant-modified zeolite (SMZ) was used to remove Remazol Brillant Blue R and Remazol Yellow reactive dyes from aqueous solutions. The influences of suspension pH, temperature, agitation rate, and the SMZ dosage on reactive dyes removal and adsorption capacity were investigated by conducting a series of batch adsorption experiments. The adsorption kinetics was tested for pseudo-first-order, pseudo-second order, intraparticle diffusion model, Elovich, and Bangham models, and rate constants of the kinetic models were calculated. Equilibrium isotherms for the adsorption of reactive dyes were analyzed by the Freundlich, Langmuir, Dubinin-Radushkevich, and Tempkin isotherm models. The Langmuir monolayer adsorption capacities of Remazol Brillant Blue R and Remazol Yell...
The photocatalyzed degradation of pyridine in the gas phase was investigated using titanium dioxide semiconductor supported on mordenite. The complete mineralization was found to occur over a catalyst containing 75 wt% TiO{sub 2} and 25 wt% mordenite in about 180 min in the presence of saturated water vapor at O{degrees}C (4.6 Torr). Low water vapor pressure of 0.096 Torr was found to be sufficient to achieve a reasonably high percentage and rate of degradation. Diffusion of pyridine within the catalyst adversely affects the activity when the thickness of the catalyst coating exceeds the penetration depth of illumination. The activity of the zeolite-supported catalysts was higher than that of TiO{sub 2}. The photonic efficiency for the complete mineralization of pyridine to CO{sub 2} was determined to be 0.48. 29 refs., 6 refs., 1 tab.
Potassium clusters arrayed in zeolite A are known to show ferromagnetic properties at low temperature. The origin of the spontaneous magnetization has been explained by a model of spin-canting in an antiferromagnetically ordered state. The direct information for the magnetic structure, however, has not been obtained so far. In the present work, we measure the neutron powder diffraction by using pulsed neutron source at KEK-KENS below and above the Curie temperature. No significant temperature-dependence was, however, obtained within the statistical errors, namely, magnetic scattering could not be detected separately. We also estimate the intensity of magnetic scattering by assuming some possible magnetic structures with considering the magnetic form factor of the cluster wave function. The intensity of magnetic scattering is estimated to be extremely weak and higher S/N of {approx}10{sup 4} or more is required to detect the magnetic scattering of this material.
Potassium clusters arrayed in zeolite A are known to show ferromagnetic properties at low temperature. The origin of the spontaneous magnetization has been explained by a model of spin-canting in an antiferromagnetically ordered state. The direct information for the magnetic structure, however, has not been obtained so far. In the present work, we measure the neutron powder diffraction by using pulsed neutron source at KEK-KENS below and above the Curie temperature. No significant temperature-dependence was, however, obtained within the statistical errors, namely, magnetic scattering could not be detected separately. We also estimate the intensity of magnetic scattering by assuming some possible magnetic structures with considering the magnetic form factor of the cluster wave function. The intensity of magnetic scattering is estimated to be extremely weak and higher S/N of ?104 or more is required to detect the magnetic scattering of this material.
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.
A Selective Catalytic Reduction (SCR) catalyst was prepared by slurry coating ZSM-5 zeolite onto a cordierite monolith, then subliming an iron salt onto the zeolite, calcining the monolith, and then dipping the monolith either into an aqueous solution of manganese nitrate and cerium nitrate and then calcining, or by similar treatment with separate solutions of manganese nitrate and cerium nitrate. The supported catalyst containing iron, manganese, and cerium showed 80 percent conversion at 113 degrees Celsius of a feed gas containing nitrogen oxides having 4 parts NO to one part NO.sub.2, about one equivalent ammonia, and excess oxygen; conversion improved to 94 percent at 147 degrees Celsius. N.sub.2O was not detected (detection limit: 0.6 percent N.sub.2O).
A Selective Catalytic Reduction (SCR) catalyst was prepared by slurry coating ZSM-5 zeolite onto a cordierite monolith, then subliming an iron salt onto the zeolite, calcining the monolith, and then dipping the monolith either into an aqueous solution of manganese nitrate and cerium nitrate and then calcining, or by similar treatment with separate solutions of manganese nitrate and cerium nitrate. The supported catalyst containing iron, manganese, and cerium showed 80 percent conversion at 113 degrees Celsius of a feed gas containing nitrogen oxides having 4 parts NO to one part NO.sub.2, about one equivalent ammonia, and excess oxygen; conversion improved to 94 percent at 147 degrees Celsius. N.sub.2O was not detected (detection limit: 0.6 percent N.sub.2O).
An examination of the kinetics of the alkylation of anisole with 1-hexene and 1-hexanol to produce alkylates over zeolite H-beta is presented. Anisole alkylation is found to occur by a set of parallel reactions when hexene is used as the alkylating agent. When hexyl alcohol is the alkylating agent, the reaction follows a multi-step parallel-series mechanism to form monoalkylates and dihexylether. With 1-hexene, a group of isomeric alkylates, viz., ortho-2-hexyl anisole (2-OHA), ortho-3-hexyl anisole (3-OHA), para-2-hexyl anisole (2-PHA), and para-3-hexyl anisole (3-PHA) was obtained. With hexanol, the olefin (hexene) and dihexyl ether were obtained additionally. The influence of process parameters like temperature, catalyst quantity, and alkylating agent on reaction behavior is reported.
Accumulation of molecular damage and increased molecular heterogeneity are hallmarks of cellular aging. Mild stress-induced hormesis can be an effective way for reducing the accumulation of molecular...Full Text Available
Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available
Woolfolk, C. A. (University of Washington, Seattle). Reduction of inorganic compounds with molecular hydrogen by Micrococcus lactilyticus. II. Stoichiometry with inorganic...Full Text Available
NSF-NIST Interaction in Chemistry, Materials Research, Molecular Biosciences, Bioengineering, and ... Laboratory (CSTL). Materials research is centralized in the Materials Science and Engineering ...
With the improvements accomplished during the past 15 years in detection techniques and instrumentation and with the opening of space exploration, molecular spectroscopy has become a very efficient way to probe planetary atmospheres.
The Molecular Genetics and Carcinogenesis Section conducts studies using human epithelial cells to assess: activation of proto-oncogenes by chemical and physical carcinogens; inactivation and dysregulation of tumor suppressor genes by chemical and physical
Recent molecular characterizations of Cryptosporidium parasites make it possible to differentiate the human-pathogenic Cryptosporidium parasites from those that do...Full Text Available
BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available
A multiple metal oxide sorbent supported on a zeolite of substantially silicon oxide is used for the desulfurization of process gas streams, such as from a coal gasifier, at temperatures in the range of about 1200.degree. to about 1600.degree. F. The sorbent is provided by a mixture of copper oxide and manganese oxide and preferably such a mixture with molybdenum oxide. The manganese oxide and the molybdenum are believed to function as promoters for the reaction of hydrogen sulfide with copper oxide. Also, the manganese oxide inhibits the volatilization of the molybdenum oxide at the higher temperatures.
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.)
Hydrocarbon synthesis during CO hydrogenation over Pd/M-ZSM5 (M=H,Na,La) and Pd/SiO/sub 2/ has been investigated. Overall activity depended on the cation-exchanged form of the support and decreased in the order Pd/La-ZSM5 = Pd/Na-ZSM5 > Pd/H-ZSM5 > Pd/SiO/sub 2/. The zeolite-supported catalysts showed high selectivity towards saturated C/sub 2/-C/sub 6/ hydrocarbons, whereas Pd/SiO/sub 2/ favored methanol production. Increasing temperature and H/sub 2//CO feed ratio led to higher reaction rates, lower yields of C/sub 2/-C/sub 6/ products, and increased lighter hydrocarbons. A mechanical mixture of Pd/SiO/sub 2/ and Na-ZSM5 showed similar product distribution as Pd/Na-ZSM5. Infrared spectra of the catalysts under reaction conditions indicate the presence of adsorbed oxygenates on the zeolite. Changes in the IR bands during the initial stages of the reaction suggest that surface species on the zeolite are not methanol ...
Outbred Wistar rats were immunised with a single intraperitoneal injection of a mixture of 30 mg of A1(OH)3 and 100microng of gonococcal zeolite antigen (ZA). Ten days after immunisation, ZA prepared...Full Text Available
The reverse micelle catalyst preparation method has been used to prepare catalysts on four supports: magnesium oxide, carbon, alumina- titania and steamed Y zeolite. These catalysts were not as active as a reference catalyst prepared during previous contracts to Union Carbide Corp. This catalyst was supported on steamed Y zerolite support and was impregnated by a pore-filling method using a nonaqueous solvent. Additional catalysts were prepared via pore- filling impregnation of steamed Y zeolites. These catalysts had levels of cobalt two to three and a half times as high as the original Union Carbide catalyst. On a catalyst volume basis they were much more active than the previous catalyst; on an atom by atom basis the cobalt was about of the same activity, i.e., the high cobalt catalysts` cobalt atoms were not extensively covered over and deactivated by other cobalt atoms. The new, high activity, Y zerolite catalysts were not as stable as the ...
Calcined and sulfided Ni-Mo catalysts supported on ultrastable Y zeolite (USY), NaY zeolite, mordenite, and ZSM-5 were studied by high-resolution electron transmission microscopy (HRTEM) with selected-area electron diffraction (SAED) and energy-dispersive spectroscopy (EDS). Ni and Mo oxide aggregates were rarely observed in the USY-supported Ni-Mo catalyst, indicating that most of Ni and Mo may be incorporated into USY, e.g., supercavities and possibly sodalite cages. However, there were a large number of {alpha}-NiMoO{sub 4} aggregates of different particle sizes in NaY-, mordenite-, and ZSM-5-supported catalysts, and the mordenite-supported catalyst also contained MoO{sub 3} crystals. The {alpha}-NiMoO{sub 4} may be attached to the surface of substrates as individual particles or needle aggregates, it may be disseminated into mordenite particles, or it may even form an isolated sphere (in Ni-Mo/NaY) or a needle (in Ni-Mo/ZSM-5) aggregates. ...
...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...
Lithium isotopes are used as the raw material of tritium which is the fuel for fusion power generation and the material for fusion reactors, accordingly those are indispensable for future nuclear fusion power generation. As for boron isotopes, the neutron absorption corss section is very large, therefore, they are used for shielding neutrons and controlling fast neutron reactors. In order to further develop the utilization of nuclear power, it is important to develop the technology for separating and refining light element isotopes in large amount. In fiscal year 1995, the relation of the ion sieve characteristics of inorganic ion exchanger and the behavior of lithium isotope separation was examined. The behavior of forming boron complex of polyol amine was examined by B-11 NMR. These experiments and the results are reported. It was shown to be feasible that lithium is adsorbed from seawater, and isotopes are concentrated. Titanium phosphate and its heat treated ...
The bulk of the results from this project, besides being found in the research reports, are in the form of two theses presented for advanced degrees by two different students at two different institutions. Francis E. Porbeni is a Master`s Degree student in Chemistry at Clark Atlanta University and has prepared his Master`s Thesis entitled Simultaneous SO{sub 2} Oxidation and NO Decomposition over Copper Oxide on {gamma}-Alumina Catalysts: An Infrared Diffuse Reflectance Study. Sumit Rao, a Ph.D. student in Chemical Engineering at the Georgia Institute of Technology has defended his thesis entitled Role of Copper Ensemble Size in Silica and Zeolite Supported Catalysts for Nitric Oxide Decomposition. These two documents, which will be forwarded when final copies are available, provide the details of the bulk of the research accomplished over the duration of this project. These two documents are summarized, and other results from the project are given.
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 oxidation. Amongst those metals-supported beta catalysts, Cu/beta was the most ...
Petrographic research for the Nevada Nuclear Waste Storage Investigations focused on xenolithic variability in the Topopah Spring Member and on variations of clinoptilolite composition at Yucca Mountain. Zeolite and smectite occurrences were considered in terms of their relation to a disturbed zone beneath the potential repository, and mineral stability experiments have produced a new clinoptilolite structure as a result of prolonged heating at low temperature. Limitations were defined on the abundance of erionite and of sulfur. X-ray diffraction studies lead to improved analytical methods. Progress was made in the comparative study of mineralogy in sand ramps and in faults. Geological modeling considered the differences of the diffusion of nonsorbing tracers in vertically and in horizontally fractured rock. Modeling also treated the diffusion of a nonsorbing tracer in devitrified and in zeolitized rock. The results of these experiments in all ...
Certain materials, especially Sn, passivate the rare earth-exchanged Y zeolite (REY) used in petrochemical fluid-cracking catalysts against vanadium degradation caused by V impurities in the feed oil. The mechanism of passivation was investigated here from the standpoint of high-temperature oxide acid-base reaction; i.e., where the controlling factors were considered to be Lewis acid-base reactions between V{sub 2}O{sub 5}, the RE oxides, SnO{sub 2}, etc. Molten salt tests at 680{degree}C showed SnO{sub 2}, presumably because of its acidic nature, to be essentially nonreactive with V{sub 2}O{sub 5} or Na{sub 2}O-V{sub 2}O{sub 5} compounds. A hypothesis was developed to explain how the passivation effect by Sn might result from the unique resistivity of SnO{sub 2} to reaction with V{sub 2}O{sub 5}.
#beta#-SiAlON was synthesized from a zeolite by NH_3 gas nitridation and its formation mechanism was investigated using X-ray diffraction and "2"9Si and "2"7Al NMR spectroscopy. It was revealed that most of the Si and Al atoms react to form #beta#-SiAlON via amorphous forms of Si-Al-O-N and O-SiAlON. Nitridation using NH_3 gas is an effective means of preventing mullite formation and promoting the introduction of nitrogen into aluminosilicate materials at lower temperatures than temperatures required by the carbothermal reduction nitridation process. Further, the NMR spectra showed that the siliceous part of the system changed into low z-value of Si_6_-_zAl_zO_zN_8_-_z (#beta#-SiAlON) and the incorporation of Al components into the #beta#-SiAlON was promoted in the later stages of the reaction. (author)
Abstract in english Higher olefins are produced as a by product in a number of refinery processes and are one of the potential raw materials to produce propylene. In the present study, FCC model feed compound was considered to explore the olefin cracking features and options to enhance propylene using 30% SAPO-34 zeolite as catalyst in a micro-reactor. The superior selectivity of propylene (73 wt%) and higher total olefin selectivity was obtained over 30% SAPO-34 catalyst than over Y or ZSM- (more) 5 zeolite catalysts. The thermodynamical constraints were found to be relatively less serious in the case of 1-hexene conversion. Most of the 1-hexene follows a direct cracking pathway to give two propylene molecules, due to weak acid sites and better diffusion opportunities. The higher temperature and short residence time could also suppress the hydrogen transfer reactions. From OPE (olefins performance envelop) the products were classified as ...
Hydrogen cyanide is a key molecule for chemical evolution studies because, when it is exposed to different sources of energy, it forms various compounds of biological importance. To understand the role of minerals in chemical evolution, a series of experiments was performed. First, the adsorption capacity of HCN on different surface minerals was studied; the results show that HCN is readily adsorbed onto the solids proposed (zeolite, serpentine, dolomite, and sodium montmorillonite), in particular zeolite and montmorillonite. Second, the radiolysis of HCN adsorbed on olivine (as an example of a mineral surface) was also followed; it was found that the rate of HCN decomposition by gamma irradiation is enhanced in the presence of the solid. The third series of studies show that organic material was produced in high abundance from HCN at high radiation doses. The radiolytic products included gases (CO_2, NH_4, and CO) and oligomeric materials that ...
Cyclopropane isomerization to propylene over various Eu[sup 3+] loadings in NaX zeolite have been studied by measurements of steady-state and transient kinetics and by Fourier transform infrared spectroscopy. As Eu[sup 3+] loading increases, the rate of deactivation increases, the conversion increases, apparent activation energies are lowered, and Bronsted acid site strength and amounts increase. Apparent activation energies of 13-15 kcal/mol for propylene formation have been observed for these systems, consistent with literature reports for other metal supported heterogeneous catalyst systems. Deactivation studies have shown that activity can be restored by heating in He at 380[degrees]C between various temperature runs, and that gases desorbed during regeneration are predominantly propylene. Poisoning studies of Bronsted sites with Na vapor lead to deactivation of these catalysts. A reaction mechanism scheme based on [pi] allyl intermediates in the supercages of ...
The acid site distribution over large ZSM-5 crystals was analyzed using FTIR microscopy. Results of the analysis of the OH-stretching vibrations and of vibrations of pyridine adsorbed on Bronsted and Lewis acid sites were found to be in good agreement. The resolution which can be obtained using this novel technique is about 10-20 [mu]m. This limits the application to large crystals as analyzed in this study. Comparison of the results of IR microscopy with aluminum distributions obtained by electron microprobe analysis revealed that IR microscopy cannot resolve inhomogeneities on a scale smaller than the above-state limits. The results of both methods on a larger scale, however, are in very good agreement. Using a combination of both techniques, it is possible to obtain a clearer picture of the distribution of acid sites in large zeolite crystals, where electron microprobing gives the higher resolution, and IR microscopy allows the determination of the types of ...
Reinforced (heterogel) silicate materials containing an amorphous and a crystalline phase are being used more and more industry. Such systems are energetically unsaturated and therefore promising for use in catalysts. The authors used two reinforced materials as supports: an aluminosilicate containing a zeolite (the cracking catalyst, tseokar) and asbestos-containing aluminosilicate. The active component was introduced by impregnation, and this was followed by heat treatment during which the chemical composition and porous structure were formed. The impregnating mixture consisted of solutions of potassium sulfate and vanadate of the required concentrations. The testing shows that reinforced heterogel systems are promising as support materials for sulfuric acid catalysts.
A research program has been initiated to screen and select electrolyte materials for use in steam electrolyzers in the 300-600/sup 0/C temperature range. Screening of a significant number of acid anhydrides, hydroxides, oxides, and phospates for their electrolytic conductivity properties is underway. Of the binary materials examined to date, only polymerized phosphoric acid, immobilized on an H/sup +/ substituted zeolite, shows promise. A substantial number of ternary compounds remain to be synthesized and evaluated.
The leached glass is subject to leachant attack and results in surface layer alteration which greatly affects the corrosion progress of glass forms. This work studied the composition change, precipitation, pitting corrosion as well as surface layer break and spallation of the leached glass forms. 6 conclusions can be made: 1. The extent of surface layer alteration is related to many factors such as temperature, pH, leachant chemistry, flow rate and leach duration, etc. 2. The alkali element Na is seriously depleted and the elements like U.Ti,Fe, Ca and Mg are enriched in the surface layer. The influence of media has such order: Fe{sub 2}O{sub 3} > Na-bentonite > Zeolite. 3. The precipitate formed in leach test for 56 days at 90 {infinity}C is mostly amorphous, but after 91 days has crystallized. There is K - Ca - Al - Si crystal,the amount of Al, K and Si is increasing, but the amount of Ca is decreasing along with leaching time. CaCO{sub 3} crystal ...
Molecular Misreading (MM) is the inaccurate conversion of genomic information into aberrant proteins. For example, when RNA polymerase II transcribes a GAGAG motif it synthesizes at low frequency RNA...Full Text Available
Earlier we have shown that exogenous expression of HIPPI, a molecular partner of Huntingtin interacting protein HIP-1, induces apoptosis and increases expression of caspases-1, -8 and -10 in HeLa and...Full Text Available
AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available
Solid molecular orthohydrogen exhibits orientational order at low temperatures. The orthohydrogen molecules, which are quadrupoles, order in the Pa3 structure. We have simulated this ordering, and explored the behaviour under dilution by spherical parahydrogen molecules.
AbstractStudies performed to identify early events of ovarian cancer and to establish molecular markers to support early detection and development of chemopreventive regimens have been...Full Text Available
In this study we compared the molecular signalling elicited by rexinoids, selective retinoid X receptor (RXR)-activators, in several organs (i.e. liver, kidney,...Full Text Available
A parallel bundle of transmembrane (TM) alpha-helices surrounding a central pore is present in several classes of ion channel, including the nicotinic acetylcholine receptor (nAChR). We have modeled...Full Text Available
A new gadolinium chelating NIR fluorescent molecular probe increases T1 relaxivity of water protons, facilitating combined optical and magnetic resonance imaging.
This article describes the molecular cloning and expression of a hemolysin gene from a serotype 1 strain of Actinobacillus pleuropneumoniae. The hemolysin was a thermolabile protein with an apparent...Full Text Available
The overall objective of this project was to use molecular genetics to develop strains of bacteria with enhanced ability to remove sulfur from coal, and to obtain data that will allow the performance and economics of a coal biodesulfurization process to be predicted. (VC)
Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available
A detailed molecular characterization of nuclear mRNA export will require an in vitro system, allowing a biochemical reconstitution of transport. To this end, an mRNA export assay has...Full Text Available
Molecular life science is one of the fastest-growing fields of scientific and technical innovation, and biotechnology has profound effects on many aspects of daily life—often with deep, ethical...Full Text Available
MWo = average molecular weight of fuel est. 105 g/mole for gasoline est. 165 g/mole for Jet fuel est. 230 g/mole for diesel fuel MWX = molecular weight of selected chemical...
One of the central questions of molecular biology is the discovery of the semantics of DNA. This discovery relies in a critical way on a variety of expensive computations. In order to solve these computations, both parallel computers and special-purpose hardware play a major role.
The molecular diversity of the gene encoding the outer membrane protein A (OmpA) of Haemophilus parasuis has been unclear. In this study, the structural characteristics, sequence types,...Full Text Available
BackgroundHealth risk from exposure of perfluorochemicals (PFCs) to wildlife and human has been a subject of great interest for understanding their molecular mechanism of toxicity....Full Text Available
Alpha-hemoglobin-stabilizing protein (AHSP) is an erythroid-specific protein that acts as a molecular chaperone for the free α chains of hemoglobin. Evidence strongly suggests...Full Text Available
Despite their simplicity, diatomic molecules of first row elements can exhibit very complex phase diagrams. Determination of the phase diagrams can be further complicated by the existence of hysteretic molecular phases that can be observed over large regions of coexistence. Here we present evidence for a previously unreported molecular phase of nitrogen existing at room temperature at least over the range of 33-74 GPa. Our measurements show that sample history may have a significant impact on the thermodynamic states accessed by the molecular nitrogen solid and, by extension, also on the established phase diagram.
Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)
Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.
The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...
Molecular imaging represents a modern research area that allows the in vivo study of molecular biological process kinetics using appropriate probes and visualization methods. This methodology may be defined- apart from the contrast media injection - as non-abrasive. In order to reach an in vivo molecular process imaging as accurate as possible the effects of the used probes on the biological should not be too large. The contrast media as important part of the molecular imaging can significantly contribute to the understanding of molecular processes and to the development of tailored diagnostics and therapy. Since more than 15 years PTB is developing optic imaging systems that may be used for fluorescence based visualization of tissue phantoms, small animal models and the localization of tumors and their predecessors, and for the early recognition of inflammatory processes in ...
Feasibility of depositing continuous films of nano-porous alumino-silicates, primarily zeolites and MCM-41, on metallic and non-metallic substrates was examined with an aim to develop membranes for separation of gaseous mixtures and also for application as hydrogen storage material. Mesoporous silica was deposited in-side the pores of these nano-porous disks with an aim to develop membranes for selective separations. Our study involves supported zeolite film growth on substrates using in-situ hydrothermal synthesis. Faujasite, Silicalite and Mesoporous silica have been grown on various metallic and non-metallic supports. Metallic substrates used for film growth included anodized titanium, sodium hydroxide treated Titanium, Anodized aluminum, and sintered copper. A non-metallic substrate used was nano-porous aluminum oxide. Zeolite film growth was characterized using Scanning Electron Microscope (AMRAY 1820) and High ...
Quantitative determination of Broensted acid site concentrations in calcined H-mordenite and H-ZSM-5 by means of conductometric titration and infrared spectroscopy reveals that the concentration of Broensted acid sites present is lower than would be expected on the basis of the aluminum content. This discrepancy is attributed to dealumination and dehydroxylation processes occurring during calcination. A model is proposed according to which the degree of these processes strongly depends on the concentration of vicinal aluminum T sites in the zeolite: Broensted acid sites associated with these T sites are lost, and the remaining Broensted acidity is related to the concentration of the (remaining) isolated aluminum T sites. This model quantitatively correlates the experimentally determined concentration of Broensted acid sites with the concentration of isolated aluminum T sites. 33 refs., 4 figs., 2 tabs.
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.
The catalytic oxygen transfer properties of vanadium containing zeolites and vanadium based sol-gel catalysts with hydrogen peroxides are well known. The severe problem of vanadium leaching caused by the presence of the by-product water has been addressed. To avoid any interference with homogeneously catalyzed reactions, our study focusses on selective oxidations in a moisture-free medium with tert.-butylhydroperoxide. We have investigated the catalytic properties of amorphous microporous materials based on SiO{sub 2}, TiO{sub 2}, ZrO{sub 2} and Al{sub 2}O{sub 3} as matrix material and studied the effects of surface polarity on the oxidation of 1-octene and cyclohexane. (orig.)
Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.
Experimentally, a feasibility study for adsorption and catalytic pyrolysis of spill oils on Cu/ZSM-5 for recycling of light oils has been conducted in the present work. The adsorption and pyrolysis of model compounds such as heptane, toluene, and diesel (to stimulate the spill oils) on Cu/ZSM-5 have been investigated on a continuous fixed-bed reactor. By component fitted X-ray absorption near edge structural (XANES) spectroscopy, catalytic active species such as metallic copper (Cu) (77-84%) and Cu2O (6-7%) are found in the channels of ZSM-5 during pyrolysis of heptane or toluene. Pyrolysis of diesel effected by Cu/ZSM-5 yields gas (C1-C5) (32%) and light oil (68%) that can be used as auxiliary fuels.
The effect of chemical pretreatments using NaOH, H2O2, and Ca(OH)2 on Empty Palm Fruit Bunches (EPFB) to degrade EPFB lignin before pyrolyis was investigated. Spectrophotometer analysis proved consecutive addition of NaOH and H2O2 decomposed almost 100% of EPFB lignin compared to 44% for the Ca(OH)2, H2O2 system while NaOH and Ca(OH)2 used exclusively could not alter lignin much. Next, the pretreated EPFB was catalytically pyrolyzed. Experimental results indicated the phenolic yields over Al-MCM-41 and HZSM-5 catalysts were 90wt% and 80wt%, respectively compared to 67wt% yield for the untreated sample under the same set of conditions. Meanwhile, the experiments with HY zeolite yielded 70wt% phenols.
This paper is a review concerning the application of Nuclear Analytical Techniques in the Cuban sugar industry. The most complete elemental composition of final molasses (34 elements) and natural zeolites (38) this last one employed as an auxiliary agent in sugar technological processe4s has been performed by means of instrumental Neutron Activation Analysis (INAA) and X-Ray Fluorescence Analysis (XRFA). The trace elemental sugar cane soill-plant relationship and elemental composition of different types of Cuban sugar (raw, blanco-directo and refine) were also studied. As a result, valuable information referred to the possibilities of using these products in animal and human foodstuff so as in the other applications are given. (author). 34 refs., 6 figs., 1 tab.
This patent describes a method of reducing the hydrogen sulfide level in streams containing hydrogen sulfide at concentrations from about 2 ppm up to about 1,000 ppm. It comprises reacting the hydrogen sulfide with an unsaturated hydrocarbon in the presence of an acidic solid catalyst selected from the group consisting of polymeric sulfonic acid resins, solid polyphosphoric acid, supported sulfuric acid, supported boric acid, silica-aluminas, clays, faujasite, mordenite, and L, omega, X or Y zeolites at mercaptan-forming concentrations, and recovering a stream having a reduced hydrogen sulfide concentration and containing no more than 5 ppm hydrogen sulfide.
Counter-current regeneration of 2-stage sodium zeolite softeners has been employed in reducing hardness leakage level of steamflooding water to less than 1 ppm when raw water contains as much as 5,000 ppm of the total dissolved solids. Hardness leakage is caused by sodium displacement of calcium and magnesium from the bottom of the exchanger bed. This study presents nomographs providing for rapid calculations to be made, for which a convenient operational mode does not already exist. The nomographs relate the hardness leakage as a function of salt quality and influent water quality and present solutions for predicting the leakage level, salt quality requirement or the treatability of raw water required for steamflooding projects.
The CO2 adsorption capacity of the low-cost solid sorbents of waste tire char (TC) and chicken waste char (CW) was compared with commercial active carbon (AC) and 5?? zeolite (ZA) using thermogravimetric analysis (TG), pressurized TG, and differential scanning calorimetry (DSC). The sorbents were degassed in a TG up to 150??C to release all gases on the surface of the sample, then cooled down to the designed temperature for adsorption. TG results indicated that the CO2 adsorption capacity of TC was higher than that of CW, but lower than those of AC and ZA. The maximum adsorption rate of TC at 50??C was 0.61% min?1, lower than that of AC, but higher than that of CW, 0.44% min?1. The maximum adsorption rate of ZA at 50??C was 3.1% min?1. When the pressure was over 4?bar, the adsorption rate ...
Very high cobalt catalysts have been prepared on steamed and acid-washed y zeolite. These catalysts are very active. Some of them have proven to be very stable. Additionally, if provisions are made to control the temperature build up on the catalyst bed, low methane selectivities result. Additional work is indicated, for instance, perhaps even higher activity catalysts can result from higher levels of cobalt or changes in the catalyst preparation procedure. Since the issue of whether small amounts of ruthenium can promote the catalyst is not completely resolved, catalyst preparation procedure experiments should continue with ruthenium vs. ruthenium-free catalysts. For instance, different methods of impregnation and/or activation should be investigated.
We report the arcsecond resolution SMA observations of the $^{12}$CO (2-1) transition in the massive cluster forming region G10.6-0.4. In these observations, the high velocity $^{12}$CO emission is resolved into individual outflow systems, which have a typical size scale of a few arcseconds. These molecular outflows are energetic, and are interacting with the ambient molecular gas. By inspecting the shock signatures traced by CH$_{3}$OH, SiO, and HCN emissions, we suggest that abundant star formation activities are distributed over the entire 0.5 pc scale dense molecular envelope. The star formation efficiency over one global free-fall timescale (of the 0.5 pc molecular envelope, $\\sim$10$^{5}$ years) is about a few percent. The total energy feedback of these high velocity outflows is higher than 10$^{47}$ erg, which is comparable to the total kinetic energy in the rotational motion of the dense ...
Research over a three year time span involved the study of multiphase flow useful to understanding the scaleup of coal liquefaction reactors. We attempted to establish the flow patterns and their boundaries in which a direct coal liquefaction, large diameter, bubble column operates. A flow map has been proposed in which coal slurry properties can be input to determine the flow pattern boundaries at reactor operating conditions. Gas holdup and bubble diameters have been measured under different conditions of gas and liquid flow rate. These have been used to determine interfacial area in bubble columns. An equation for the estimation of interfacial area in the bubble-slug flow pattern has been proposed. It has also been established that gas holdup and thus interfacial area depends strongly on the gas distribution in the column. Porous plate gas distributors can yield gas holdups twice as large as sieve plate distributors. Measurements using aqueous solutions (carboxy ...
Full text.Sediments are the ultimate sink of trace elements. The total metal analysis may only give information concerning possible enrichment of metals. The analysis of metal partitioning in the different chemical components of sediments (exchangeable, carbonate, easily reducible, moderately reducible, organic and residual); give a detailed information on the way in which these metals are bound to sediments, their mobilization capacity and their ability to affect water quality under different environmental conditions. The studied river basin is dominated by limestone formation, the enrichment of metals in the carbonate sediment fraction is a high probability. The objective of the study was to determine the percentage of the total metal content (Fe, Mn, Zn, Cu and Pb) in the six chemical fractions of the bed load sediments of Nahr-Ibrahim river during the dry season and verify the role of carbonate for metal sediment deposition. Bed load sediments were sampled at five locations 13Km ...
The ORNL high temperature isopiestic apparatus was adapted for adsorption measurements. The quantity of water retained by rock samples taken from three different wells of The Geysers was measured at 150 °C and at 200 °C as a function of pressure in the range 0.00 ≤ p/p0 ≤ 0.98, where p0 is the saturated water vapor pressure. The rocks were crushed and sieved into three fractions of different grain sizes (with different specific surface areas). Both adsorption (increasing pressure) and desorption (decreasing pressure) runs were made in order to investigate the nature and extent of the hysteresis. Additionally, BET surface area analyses were performed by Porous Materials Inc. on the same rock samples using nitrogen or krypton adsorption measurements at 77 K. Specific surface areas and pore volumes were determined. These parameters are important in estimating water retention capability of a ...
The effect of powder particle sizes of n- and p-Bi2Te3 on the thermoelectric properties has been studied. The powder was formed from the each ingot and sieve into <63, 63-90 and 90-150{mu}m for p-type, and <355 and >355 {mu}m for n-type. Those powders are pressed followed by CIP, then sinterd at 773K for S. Effects of CIP on the densities were not so large such as 1-4% depending on the powder sizes. The Setback coefficients and electric conductivities for p-type were 110{mu}V/K and 0.8{times}10{sup 2}ohm{sup -1}m{sup -1} at 333K, while 18O{mu}V/K and 2.0{times}10{sup 4}ohm{sup -1}m{sup -l} for n-type, respectively. The thermal conductivity for n-type was 0.7W/mK leading to the figure of merit of 2.1{times}10{sup -3}(/K). The hybrid texture of the suitable amount of smaller and larger grains has a possibility of an improvement for thermoelectric properties. 10 refs., 5 figs., 5 tabs.
We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.
We investigate the radiative decays of the {phi}-meson to the scalar mesons a{sub 0}(980) and f{sub 0}(980). We demonstrate that, contrary to earlier claims, these decays should be of the same order of magnitude for a molecular state and for a compact state and, therefore, the available experimental information is consistent with both a molecular as well as a compact structure of the scalars. Thus, the radiative decays of the {phi}-meson into scalars establish a sizable K anti K component of the scalar mesons, but do not allow to discriminate between molecules and compact states. (orig.)
The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...
The first candidate rotavirus vaccine was a live attenuated oral vaccine made by the classical empirical method of serial passage of virus in tissue culture cells. Current tetravalent vaccine candidates that are in the final stages of efficacy testing in the United States were made by genetic reassortment. This article briefly highlights how advances in the basic understanding of the molecular biology of rotaviruses have facilitated vaccine development. New approaches for second-generation vaccines and improvements in vaccine efficacy based on further exploitation of the tools and knowledge of rotavirus molecular biology and pathogenesis are discussed. PMID:8752289
Ultraviolet photoelectron spectra were measured for vanadyl phthalocyanine (VOPc) ultrathin films prepared on graphite to study effects of the molecular orientation and the electric dipole layer on the organic electronic states. VOPc has a permanent electric dipole perpendicular to the molecular plane, hence a well-defined electric dipole layer could be intentionally prepared by using the oriented monolayer. The observed binding-energy difference of the highest occupied molecular orbital (HOMO) bands between the oriented monolayer and the double layer was found to agree with the vacuum level shift, leading to a conclusion that the molecular energy level with respect to the substrate Fermi level is changed when the molecule is in the electric dipole layer.
Advances in molecular technologies challenge the different concepts of causality in biology, epidemiology and multistage mathematical models. The lack of integration of the different aspects of causality...Full Text Available
The receptor-associated protein (RAP) is a molecular chaperone that binds tightly to certain newly synthesized LDL receptor family members in the endoplasmic reticulum (ER) and facilitates their delivery...Full Text Available
The molecular structure, chemical properties, and biological function of the xyloglucan polysaccharide isolated from cell walls of suspension-cultured sycamore (Acer pseudoplatanus)...Full Text Available
For a process intimately connected to an immense range of physiological processes, the molecular understanding of macroautophagy remains far from complete. Recent large-scale studies, including...Full Text Available
ConspectusSelf-assembly allows for the preparation of highly complex molecular and supramolecular systems from relatively simple starting materials. Typically, self-assembled...Full Text Available
BackgroundOrthology analysis is an important part of data analysis in many areas of bioinformatics such as comparative genomics and molecular phylogenetics. The ever-increasing flood...Full Text Available
The use of Funtumia latex and nitrobenzene as molecular weight depressants for natural rubber was studied. Portions of a given sample of natural rubber latex were treated with these materials, and this provided a means of ascertaining the amount of Funtumia latex in a blend with natural rubber that could produce a lowering of the molecular weight equivalent to that from known concentrations of nitrobenzene in natural rubber latex. The molecular weight of the products decreased to an equilibrium value after 10 h of reaction with nitrobenzene. The calculations revealed that a 27.9% substitution of natural rubber latex (300 mL) with Funtumia rubber latex achieved the same result as nitrobenzene in the same polymer at concentrations of 0.5-2.0 wt % of the dry rubber content of the latex after ...
Orphan G protein-coupled receptors (GPCRs) are receptors lacking endogenous ligands. Found by molecular biological analyses, they became the roots of reverse pharmacology, in which receptors are attempted...Full Text Available
A new method of the synthesis of high molecular polybutylene terephthalate (PBT) is developed with the use of Irganox 1010, tris(nonylphenyl) phosphite and hypophosphite as stabilizers and boron nitride or boron oxide as a catalyst is proposed.
Comparative Molecular Genetic Monitoring of Myxoviruses Circulating in Populations of Seals Phoca Caspia and Phoca Sibirica in Northern Caspian Region and Lake Baikal
... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...
These proceedings collect papers on the subject of lymphokines. Topics include: DNA-cloning of mouse and human lymphokine genes, inteferons, interleukins, gene expression, tumor necrosis factors, and recombinant DNA.
Cellular actions of thyroid hormone may be initiated within the cell nucleus, at the plasma membrane, in cytoplasm, and at the mitochondrion. Thyroid hormone nuclear receptors (TRs) mediate the biological...Full Text Available
BackgroundMolecular genetic studies of Bombyx mori have led to profound advances in our understanding of the regulation of development. Bombyx mori brain,...Full Text Available
We investigate the magnetic braking of the core of an axisymmetric cloud whose rotation axis is parallel to the mean direction of the magnetic field. (author).
The Liver Carcinogenesis Section uses the modern technologies of molecular biology, cell biology, protein chemistry and genetics to investigate the biochemical and genetic pathways involved in human liver cancer.
To establish a relationship between the molecular structure of polycarboxylates and their growth-retarding influence on barium sulfate, seeded-suspension-growth experiments were performed at various inhibitor concentrations and pH values. Two types of polycarboxylates with a molecular structure based on their polyacrylic or maleic acid were studied. The molecular structure of these compounds were varied by particle substitution with monomers containing hydroxyl, amide, and sulfonic acid, as well as hydrophobic groups. Hydrophobic groups are detrimental to good inhibitor performance, whereas the introduction of OH, NH {sub 2}, or SO {sub 3} H groups presents opportunities to enhance the inhibitor effectiveness. The sequence in performance of the compounds on barium sulfate was compared with the sequence formerly obtained for calcium sulfate dihydrate.
The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)
Advances in modern neuroscience require the identification of principles that connect different levels of experimental analysis, from molecular mechanisms to explanations of cellular functions,...Full Text Available
We investigate the chemical and observational implications of repetitive transient dense core formation in molecular clouds. We allow a transient density fluctuation to form and disperse over a period of 1 Myr, tracing its chemical evolution. We then allow the same gas immediately to undergo further such formation and dispersion cycles. The chemistry of the dense gas in subsequent cycles is similar to that of the first, and a limit cycle is reached quickly (2 - 3 cycles). Enhancement of hydrocarbon abundances during a specific period of evolution is the strongest indicator of previous dynamical history. The molecular content of the diffuse background gas in the molecular cloud is expected to be strongly enhanced by the core formation and dispersion process. Such enhancement may remain for as long as 0.5 Myr. The frequency of repetitive core formation should strongly determine the level of background ...
The biosynthesis of insect juvenile hormone (JH) and its neuroendocrine control are attractive targets for chemical control of insect pests and vectors of disease. To facilitate the molecular...Full Text Available
Mutations in the Drosophila gene drop-dead (drd) result in early adult lethality and neurodegeneration, but the molecular identity of the drd...Full Text Available
Aggregatibacter (Actinobacillus) actinomycetemcomitans is a facultative anaerobic gram-negative bacterium associated with severe forms of periodontitis. A leukotoxin, which belongs...Full Text Available
Physiological bone remodeling is a highly coordinated process responsible for bone resorption and formation and is necessary to repair damaged bone and to maintain mineral homeostasis. In addition to...Full Text Available
In 1977 and 1978, workers at Idaho National Engineering Laboratory (INEL) developed and tested a process for the regeneration and reuse of silver mordenite, AgZ, used to trap iodine from the dissolver off-gas stream of a nuclear fuel reprocessing plant. We were requested by the Airborne Waste Management Program Office of the Department of Energy to perform a confirmatory recycle study using repeated loadings at about 150/sup 0/C with elemental iodine, each followed by a drying step at 300/sup 0/C, then by iodine removal using elemental hydrogen at 500/sup 0/C. The results of our study show that AgZ can be recycled. There was considerable difficulty in stripping the iodine at 500/sup 0/C.; however, this step went reasonably well at 550/sup 0/C or slightly higher, with no apparent loss in the iodine-loading capacity of the AgZ. Large releases of elemental iodine occurred during the drying stage and the early part of the stripping stage. Lead zeolite, which was ...
The trend towards more effective use of fossil fuels and reduced environmental pollution represents a major task of improvement within the refinery processes. The highly isomerized and high octane paraffins produced from isobutane and light olefins by alkylation fulfill all the requirements for reformulated gasoline. This doctoral thesis discusses new catalyst systems because of their potential in alkylation. A slurry reactor apparatus for solid-acid catalysed isobutane/butene alkylation was developed and used to investigate the performance of various heterogeneous catalysts. The selected materials were mainly zeolite types with faujasite structures. The samples were characterized by various methods before alkylation. In general, the order of decreasing catalyst activity after 3 h of reaction at 80{sup o}C was found to be: H-EMT >> H-FAU, dealuminated H-FAU >> NS.500, TA-Y, CeY-98 > Nafion-H. The order of decreasing alkylate selectivity of the ...
The catalytic nature of Mo(CO)/sub 6/ supported on ..gamma..-Al/sub 2/O/sub 3/, KOH-doped ..gamma..-Al/sub 2/O/sub 3/, and HY-zeolite was investigated in CO oxidation with N/sub 2/O in comparison with that of a conventional partially reduced MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst. Kinetic parameters of this reaction were obtained in the range 0 to 100/sup 0/C; the rate law r = kP/sub N/sub 2/O//sup 1/P/sub CO//sup 0/ was found on all catalysts, and the activation energy was estimated to be 9.1 kcal/mol on the Mo(CO)/sub 6/-derived catalysts and 7.1 kcal/mol on the partially reduced MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst. Maximum catalytic activities were obtained by activating the Mo(CO)/sub 6/-derived catalysts at 400/sup 0/C. To obtain similar activity on the MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst, it was necessary to reduce at 600/sup 0/C. The former catalysts were deactivated on repeating the reaction. On the basis of these results ...
The preparation and performance of membranes for application to hydrogen separation from coal-derived gas is described. The membrane material investigated was dense amorphous silica deposited on a suitable support by chemical vapor deposition (CVD). Two types of support materials were pursued. One type consisted of a two-layer composite, zeolite silicalite/{alpha}-Al{sub 2}O{sub 3}, in the form of tubes approximately 0.7 cm in diameter. The other type was porous glass tubes of diameter below 0.2 cm. The first type of support was prepared starting from {alpha}-Al{sub 2}O{sub 3} tubes of 1{micro}m mean pore diameter and growing by hydrothermal reaction a zeolite silicalite layer inside the pores of the alumina at the OD side. After calcination to remove the organic template used in the hydrothermal reaction, CVD was carried out to deposit the final silica layer. CVD was carried out by alternating exposure of the surface with silicon tetrachloride ...
Some aspects of molecular mechanisms common to radiation and chemical carcinogenesis are discussed, particularly the DNA damage done by these agents. Emphasis is placed on epidemiological considerations and on dose-response models used in risk assessment to extrapolate from experimental data obtained at high doses to the effects from long-term, low-level exposures. 3 references, 6 figures. (ACR)
The inhibitor action of unbranched polyamines on corrosion of low-carbon steel in 0.5 M sulfuric acid is studied through potentiostatic polarization curves. It is shown that the inhibitor efficiency I depends on the polyamine concentration and molecular structure. The quantum-mechanical calculations of molecular properties are accomplished through the MNDO method. Correlation between the measured I and physicochemical properties of the polyamine inhibitors in protonized and nonprotonized form is found with application of the general perturbation theory
...) Abstract: Fluorescence microscopic imaging is widely used in biomedical research to study molecular and cellular processes in cell culture or tissue samples. This is motivated by the high inherent sensitivity of fluorescence techniques, the spatial resolution that compares favorably with cellular dimensions, the stability of the fluorescent labels used and the sophisticated strategies that have been developed for selectively labeling target molecules. More recently, two and ...
Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.
We develop a theory of Smectic A - Smectic C phase transition with anomalously weak smectic layer contraction. We construct a phenomenological description of this transition by generalizing the Chen-Lubensky model. Using a mean-field molecular model, we demonstrate that a relatively simple interaction potential suffices to describe the transition. The theoretical results are in excellent agreement with experimental data.
Chapter 5, describes some of the most important molecular methods used in the study of chromosome structure and function. The methods discussed include fragmentation of DNA, cloning, flow cytometry and chromosome sorting, is situ hybridization, polymerase chain reaction (PCR), and yeast artificial chromosomes (YACs). 18 refs., 3 figs., 1 tab.
Molecular dynamics computer simulations of a dense nanocrystalline Nickel sample are performed on the parallel Cray T3 (EPFL-Lausanne). The sample contains 50 grains with an average size of 3 nm. By perturbing the relaxed configuration elastic and plastic properties are studied. (author) 1 fig., 1 ref.
The objective of this project is the development of a new class of metalloporphyrin materials used as catalsyts for use in fuel cell applications. The metalloporphyrins are excellent candidates for use as catalysts at both the anode and cathode. The catalysts reduce oxygen in 1 M potassium hydroxide, as well as in 2 M sulfuric acid. Covalent attachment to carbon supports is being investigated. The computer-aided molecular design is an iterative process, in which experimental results feed back into the design of future catalysts.
Stabilized silver particles comprise particles comprising silver, a short-chain capping agent adsorbed on the particles, and a long-chain capping agent adsorbed on the particles. The short-chain capping agent is a first anionic polyelectrolyte having a molecular weight (Mw) of at most 10,000, and the long-chain capping agent is a second anionic polyelectrolyte having a molecular weight (Mw) of at least 25,000. The stabilized silver particles have a solid loading of metallic silver of at least 50 wt %.
In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.
The Gordon Research Conference (GRC) on 2004 Gordon Research Conference on Reversible Associations in Structure & Molecular Biology was held at Four Points Sheraton, CA, 1/25-30/2004. The Conference was well attended with 82 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students.
We have used the SINFONI integral field spectrograph to map the near-infrared K-band emission lines of molecular and ionised hydrogen in the central regions of two cool core galaxy clusters, Abell 2597 and Sersic 159-03. Gas is detected out to 20 kpc from the nuclei of the brightest cluster galaxies and found to be distributed in clumps and filaments around it. The ionised and molecular gas phases trace each other closely in extent and dynamical state. Both gas phases show signs of interaction with the active nucleus. Within the nuclear regions the kinetic luminosity of this gas is found to be somewhat smaller than the current radio luminosity. Outside the nuclear region the gas has a low velocity dispersion and shows smooth velocity gradients. There is no strong correlation between the intensity of the molecular and ionised gas emission and either the radio or X-ray emission. The molecular gas in Abell ...
In mammals and insects, paracellular blood barriers isolate the nervous system from the rest of the animal. Glia and accessory cells of the nervous system use pumps, channels, cotransporters, and exchangers collectively to maintain the extracellular ion environment and osmotic balance in the nervous system. At present, the molecular mechanisms that regulate this process remain unclear. In humans, loss of extracellular ion and volume regulation in the nervous system poses serious health threats. Drosophila is a model genetic organism with a proven track record for uncovering molecular mechanisms relevant to human health and disease. Here, we review what is known about extracellular ion and volume regulation in larval abdominal nerves, present some new data about the impact of neural activity on the extracellular environment, and relate the findings to mammalian systems. Homologies have been found at the level of morphology, physiology, ...
A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational ...
An alternative to synthetic materials for use in solar pond liners is to select clayey soils as hydraulic barriers. This option reduces the cost of construction and the risk of contamination of subsoil and groundwater by hot brines. This paper deals with the physical, chemical and hydraulic properties of different soils tested mainly as compacted clay liners. The underdeveloped nations have the option to use this type of liner, but before doing so several tests are recommended, including those for soil and water composition, permeability, plasticity and X-ray diffraction analysis. In this investigation the following samples are analyzed: native clayey soils with illite, montmorillonite and halloysite, treated and non-treated bentonites in powder and granulated form, a mixture of zeolite and sodium bentonite, and industrial minerals composed largely of halloysite, kaolinite and attapulgite selected clays. Neutral salt aqueous solutions (NaCl and KCl) at different ...
Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements of selected catalytic processes allows ...
Porous carbon with high surface area and pore volume was prepared by a reverse replication process and its toluene equilibrium adsorption behavior was investigated. The preparation process of the porous carbon was composed of following sub-processes in series: synthesis and template preparation of silica gel, impregnation and polymerization of DVB monomer in silica template, carbonization of DVB polymer in a silica-polymer composite, and HF-assisted selective etching of silica in carbon-silica composite, The prepared porous carbon was nano porous and had ultrahigh specific surface area (2007 m{sup 2}/g) and large pore volume (3.07cm{sup 3}/g). The nanoporous carbon showed rapid toluene adsorption rate and good toluene adsorption capacity, compared with a commercial Y-type zeolite, In the present study, a reverse replication process to prepare nanoporous carbons will be introduced and its application potential as a gas adsorbent will be discussed. (author). 17 ...
The results of studies of radiation-thermocatalytic water decomposition in the 673-773 K temperature range in the presence of BeO and titanium Y-type zeolite are presented. It is found that radiation-thermocatalytic processes of hydrogen production from water are characterized by a lower activation energy (55.4 kJ/mole) as compared with thermocatalytic processes (88.4 kJ/mole). The radiation-thermocatalytic process rate in the presence of oxide systems is not an additive sum of rates of radiation-catalytic (at 296-300 K) and thermocatalytic processes of water decomposition. On the basis of obtained results the conclusion is made that during radiation-catalytic decomposition of water in a heterogeneous system BeO + H_2O the main contribution into this process is made by excitons, radiation-chemical yields of excitons and non-equilibrium charge-carriers are 4.4-4.5 excitons per 100 eV and 3.0-3.2 pairs per 100 eV, respectively.
A pyrochemical partitioning process has been conceptually designed so that the transmutation of spent LWR fuels in PEACER can produce mainly low-level waste (Class C waste) for near-surface burial. Chloride salt technology developed for IFR has been employed as the baseline. Electrorefining, reductive extraction and salt recycling steps are used to construct overall flowsheet in order to support PEACER operation. The decontamination factor for transuranic elements was estimated based on both thermodynamic models and reported experimental data. It is expected that overall decontamination factor can be as high as 10{sup 5} for transuranic elements. Final wastes from pyrochemical processing for PEACER are noble metals, alkaline earth metal, and lanthanides. The final wastes are stabilized by mixing with zeolite and glass-frits such that concentration limit for class C waste can be met. The volume of Class C waste is estimated to be small enough to make PEACER concept ...
A pyrochemical partitioning process has been conceptually designed so that the transmutation of spent LWR fuels in PEACER can produce mainly low-level waste (Class C waste) for near-surface burial. Chloride salt technology developed for IFR has been employed as the baseline. Electrorefining, reductive extraction and salt recycling steps are used to construct overall flowsheet in order to support PEACER operation. The decontamination factor for transuranic elements was estimated based on both thermodynamic models and reported experimental data. It is expected that overall decontamination factor can be as high as 10"5 for transuranic elements. Final wastes from pyrochemical processing for PEACER are noble metals, alkaline earth metal, and lanthanides. The final wastes are stabilized by mixing with zeolite and glass-frits such that concentration limit for class C waste can be met. The volume of Class C waste is estimated to be small enough to make PEACER concept ...
This paper demonstrates that a commercial-scale facility for encapsulating krypton-85 in zeolite-5A or glass at a 2000 MTHM per year nuclear fuel reprocessing plant can be designed to contain fragments and the 340 to 850 kCi krypton-85 inventory from an assumed catastrophic failure of the high pressure vessel. The vessel failure was assumed as a worst case and was not based on a detailed design evaluation or operating experience. The process design is based on existing commercial hot isostatic pressing technology operated at up to 40 times the scale required for krypton encapsulation. From the calculated process gas inventory in the pressure vessel and vessel design, the maximum explosive energy of 8.4 kg TNT and resulting vessel plug and fragment velocities were calculated. The facility Containment Cell housing the high pressure vessel was designed to contain the gases, fragments, and the shock wave energy calculated for a hypothetical vessel failure. The Access ...
A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...
Globodera rostochiensis and Globodera pallida are parasitic root cyst nematodes of potato (PCN), which significantly reduce yield and quality. The genetics and available molecular markers should make resistance to nematodes an excellent candidate for marker assisted selection. The study presents results of testing the suitability of known molecular markers for detection of resistance in a set of cultivars. We revealed some inconsistencies in genealogical data of the cultivars and showed inconsistent usefulness in detecting resistant cultivars. The marker TG689 was identified in almost all cultivars resistant to G. rostochiensis and together with other markers was used for verifying the resistance in a group of breeding lines. The marker TG689 was the most effective. However, the efficiency...
The first year of this effort was focussed on the following broad objectives: (1) Analyze the molecular types present in shale oil (as a function of molecular weight distribution); (2) Determine the behavior of these molecular types in liquid-liquid extraction; (3) Develop the analytical tools needed to systematize the process development; (4) Survey the markets to assure that these have high value uses for the types found in shale oil; (5) Explore selective process means for extracting/converting shale oil components into concentrates of potentially marketable components; (6) Compile overview of the venture development strategy and begin implementation of that strategy. Each of these tasks has been completed in sufficient detail that we can now focus on filling in the knowledge gaps evident from the overview.
This contribution is an informal essay based on a talk delivered at the Institute for Mathematics and its Applications (IMA) in Minneapolis, under the summer program in molecular biology, July 18-22, 1994. I exclude many technical details, which can be found elsewhere, and instead focus on the basic ideas of molecular dynamics simulations, with the goal of conveying to students and non-specialists the key concepts of the theory and practice of large-scale simulations. Following a description of the basic idea in molecular dynamics, I discuss some of the practical details involved in simulations of large biological molecules, the numerical timestep problem, and approaches to this problem based on implicit-integration techniques. I end with a perspective of open challenges in the field and directions for future research. 79 refs., 6 figs., 1 tab.
Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...
Abstract The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers a...
This paper reviews the molecular biology of the renin-angiotensin system. The renin gene structure is analyzed in detail, including an examination of the putative regulatory regions. The combined action of these regulatory sequences would result in the complex, tissue-specific expression and regulation observed in vivo. The expression of the tissue renin-angiotensin systems, which may have important physiological functions, is also described. In addition, the pathway of renin biosynthesis and secretion is reviewed. This includes speculation on the fate of circulating prorenin and the physiological role of multiple renin forms and secretory pathways. The molecular approaches described in this paper have greatly advanced our knowledge of the biology of the renin-angiotensin system. Future studies using these and other approaches should provide further insight into this complex system.
substrate). Within each group of simulations, three lubricant film thicknesses are studied to examine the effect of varying lubricant thickness. Statistical data are collected from each simulation and presented in this work. Via these data, together with the evolution, of atomic and molecular configurations, a very detailed picture of the properties of this thin film interface is presented. In particular, we conclude that perfluoropolyether lubricant forms distinct molecular layers when confined between two substrates, the rate of heat generation under shearing conditions typical of those in a head-disk interface is insufficient for thermal mechanisms to result directly in lubricant degradation, and mechanical stresses attained in the head-disk interface are unlikely to result in any significant degree of lubricant degradation. This thesis examines the tribology of a head-disk interface in an operating hard disk drive via non-equilibrium ...
The interfaces between metal electrodes and electroactive organic materials are important for the performance of organic electronic devices. One way of optimizing the anode/organic interface is the insertion of a (sub-)monolayer of molecular acceptors. Here we present an UPS study of new electron acceptor molecules deposited on Au(111), Cu(111) and Ag(111). This study intends to improve the understanding of how the interactions of specific electron withdrawing groups with metal surfaces are correlated with observed modifications of interfacial electron density distribution, work function change ({delta}{phi}), and the energy level alignment. We find that {delta}{phi}, which is the difference between the work function ({phi}) of the clean metal surface and {phi} after formation of a molecular monolayer, is a monotonic function of initial {phi} of the metal. Two different slopes were observed for acceptors with cyano and those with keto or nitro ...
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...
The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting fermionic molecular dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. ((orig.)).
High molecular weight products of the ozonolysis reaction of particle-phase 9-octadecenoic acid (oleic acid) have been studied by photoelectron resonance capture ionization (PERCI) mass spectrometry (MS). Oleic acid particles ( Formula Not Shown , Formula Not Shown ) were reacted with ozone (1.8x10-4atm) in a flow reactor at reaction times of 8 and 23s. Particles were sampled on-line with a differentially pumped particle inlet and chemically analyzed by PERCI-MS. PERCI is a soft ionization method that permits the direct measurement of relatively high molecular weight compounds, facilitating molecular identification. In addition to cyclic oxygenates, such as secondary ozonides and geminal diperoxides that were reported previously, we demonstrate the formation of polymers at the particle sur...
Abstract Localized regions of enhanced emission from HCO+, NH3 and other species near Herbig-Haro objects (HHOs) have been interpreted as arising in a photochemistry stimulated by the HHO radiation on high-density quiescent clumps in molecular clouds. Static models of this process have been successful in accounting for the variety of molecular species arising ahead of the jet; however, recent observations show that the enhanced molecular emission is widespread along the jet as well as ahead. Hence, a realistic model must take into account the movement of the radiation field past the clump. It was previously unclear as to whether the short interaction time between the clump and the HHO in a moving source model would allow molecules such as HCO+ to reach high enough levels, and to survive fo...
The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?( r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of the F, Cl, Br, and I atoms to the thermodynamic characteristics of adsorption was performed for the nonspecific adsorption of these compounds on a plane ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and...
Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.
This paper shows how molecular theory paves the way for accelerated aging tests of safety-related equipment in nuclear power plants, as required by NRC qualification programs. Arrhenius' model, based on an equation, provides useful information regarding the extent of molecular change as a function of time and temperature. Critical to determining the aging characteristics and qualified life of organic materials is the activation energy concept, which is derived from information gathered when the molecular reaction of the material is documented over the entire life cycle. In accelerated-aging applications, the importance of the model lies in characterizing the chemical related reactions of materials. The problem with the Arrhenius approach is that, in generating a testing period of reasonable duration, a rather high test temperature must be selected which may lead to an added and unrelated environmental effect.
A brief overview if provided of selected reports presented at the International Symposium on Molecular Mechanisms of Radiation- and Chemical Carcinogen-Induced Cell Transformation held at Mackinac Island, Michigan on September 19-23, 1993.
An atom-by-atom understanding of life processes is emerging from a flurry of experiments fueled by synchrotron sources and DNA technology. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}.
Exercise promotes weight loss and improves insulin sensitivity. However, the molecular mechanisms mediating its beneficial effects are not fully understood. Obesity correlates with increased production...Full Text Available
This patent describes a process for the conversion of low molecular weight alkanes to higher molecular weight hydrocarbons. It comprises: contacting the low molecular weight alkanes, at an elevated temperature, with oxygen and a catalyst of the formula Zn{sub a}A{sub b}M{sub c}M'{sub d}O{sub x} wherein A is Li, Na, K, or mixtures thereof; M is Al, Ga, Cr, La, Y, Sc, V, Nb, Ta, Cu or mixtures thereof; M' is Cs, Rb, Mg, Ca, Sr, Ba, Sm, Pb, Mn, Sb, P, Sn, Bi, Ti, Zr, Hf, or mixtures thereof; a if from about 1 to about 20; b is from about 0.1 to about 20; c is from about 0 to about 5 d is from about 0 to about 20, and x is a number needed to fulfill the valence requirements of the other elements; provided that at least one c and d is a t least 0.1; and when M' is Sn, c must be at least 0.1.
SummaryBrown fat is specialized in energy expenditure, a process that is principally controlled by the transcriptional co-activator PGC-1α. Here we describe a molecular...Full Text Available
The ability to enter a hypometabolic state upon restriction of caloric intake is pivotal for animal survival: balancing the energy budget in endotherms can be a real struggle when food is not...Full Text Available
Angiokeratoma corporis diffusum with glycopeptiduria is a recently recognized inborn error of glycoprotein catabolism resulting from the deficient activity of human alpha-N-acetylgalactosaminidase (E.C....Full Text Available
PurposeTo date there remains no effective therapy for metastatic melanoma and at the molecular level disease progression remains poorly understood. Recent work by...Full Text Available
The trematode Fasciola hepatica (Fa.he.) is a common parasite of human and livestock. The hemoglobin (Hb) of Fa.he., a potential immunogen, was chosen for characterization...Full Text Available
BackgroundDuring the last ten years, major advances have been made in characterizing and understanding the evolution of mitochondrial DNA, the most popular marker of molecular biodiversity....Full Text Available
We use a novel normal mode analysis of an elastic network model drawn from configurations generated during microsecond all-atom molecular dynamics simulations to analyze the mechanism of auto-inhibition...Full Text Available
Surface glandular trichomes distributed throughout the aerial parts of sweet basil (Ocimum basilicum) produce and store monoterpene, sesquiterpene, and phenylpropene volatiles. Three...Full Text Available
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 ...
In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, which may be prompted by multiple photons process induced by FEL. ...
Disorders of mitochondrial fat metabolism lead to sudden death in infants and children. Although survival is possible, the underlying molecular mechanisms which enable this outcome have not yet been...Full Text Available
BackgroundThe molecular mechanisms of variations in individual longevity are not well understood, even though longevity can be increased substantially by means of diverse experimental...Full Text Available
A statistical treatment has been applied to interpret the experimental data on the Xe M-shell vacancy production in slow 1.05 MeV Xe-Xe collisions and is shown to give better agreement with experiment than that of the molecular-orbital models.
BackgroundSpindle cell carcinoma (SpCC) is a rare microscopic type of cancer of the mouth and oropharynx. Although SpCC is thought to arise from squamous cell carcinoma (SCC), it...Full Text Available
Purified beta-toxin from Clostridium perfringens type C was found to be a single polypeptide chain protein with a molecular weight of approximately 30,000. The toxin was heat labile, with 75% of its...Full Text Available
The effects of selected ligands on the structure of the truncated heavy-chain chemomechanical motor domains of Drosophila ncd and human kinesin were compared using the technique of transient electric...Full Text Available
Exposure of albumin to Cu(II) (10-100 microM) and ascorbate (0.1-2 mM) results in extensive molecular modifications, indicated by decreased fluorescence and chain breaks. The rate of utilization of...Full Text Available
The goal of ultrasonic molecular imaging is the detection of targeted contrast agents bound to receptors on endothelial cells. We propose imaging methods that can distinguish adherent microbubbles...Full Text Available
PurposeA prolonged seizure, status epileptics (SE), is a potent stimulus for increased neurogenesis in the dentate gyrus of the hippocampus. Molecular mechanisms...Full Text Available
Hibernators are unique among mammals in their ability to survive extended periods of time with core body temperatures near freezing and with dramatically reduced heart, respiratory, and metabolic rates...Full Text Available
Schindler disease is a recently recognized infantile neuroaxonal dystrophy resulting from the deficient activity of the lysosomal hydrolase, alpha-N-acetylgalctosaminidase (alpha-GalNAc). The recent...Full Text Available
The intracellular bioavailability of lead (Pb) at low dosage levels in major target organs such as the kidney and brain appears to be largely determined by complexation with a group of low molecular...Full Text Available
The increasing demand for molecular diagnostics in clinical microbiology laboratories necessitates automated sample processing. In the present study, we evaluated the performance of the MagNA Pure LC...Full Text Available
Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available
The fauna of ancient lakes frequently contains taxa with highly derived morphologies that resulted from in situ radiation of lacustrine lineages with high antiquity. We employed a molecular...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
In a process for separating insoluble red mud from Bayer process streams the improvement is described which comprises contacting and mixing a Bayer process stream with a tertiary polyamine having a molecular weight of at least about 10,000 in an amount effective to reduce the iron content thereof.
We describe the characteristics of the rapidly rotating molecular disk in the nucleus of the mildly active galaxy NGC4258. The morphology and kinematics of the disk are delineated by the point-like...Full Text Available
Protein modifications such as phosphorylation are often studied by two-dimensional gel electrophoresis since the perturbation in the protein’s pI value is readily detected by this method....Full Text Available
Randomly amplified polymorphic DNA (RAPD) analysis and the PCR assay were used in combination with dilution plating on a semiselective medium to detect and enumerate propagules of Trichoderma...Full Text Available
Ion-channels can be activated (gated) by a variety of stimuli including chemicals, voltage, mechanical force or temperature. Whereas molecular mechanisms of ion-channel gating by chemicals and...Full Text Available
BackgroundThe phylogenetic relationships among the holoparasites of Rafflesiales have remained enigmatic for over a century. Recent molecular phylogenetic studies using the mitochondrial...Full Text Available
Toxicogenomics provides the ability to examine in greater detail the underlying molecular events that precede and accompany toxicity, thus allowing prediction of adverse events at much earlier...Full Text Available
Current drug treatments for post-menopausal osteoporosis cannot eliminate bone fractures, possibly because the mechanisms responsible for bone loss are not fully understood. Although research within...Full Text Available
To delineate the mechanisms of bovine leukemia virus (BLV) pathogenesis, four full-length BLV clones, 1, 8, 9, and 13, derived from the transformed cell line FLK-BLV and a clone construct, pBLV913,...Full Text Available
The clotting activity of Staphylococcus aureus strain 104 was purified 46,000-fold, but absolute purity was not achieved. Carbohydrate content of the purified material was not more than 5%. Elution...Full Text Available
Aminopeptidase II, one of the two major aminopeptidases in the giant alga Chara australis, was partially purified. Its molecular weight was estimated to be about 80,000 by gel permeation...Full Text Available
Patients with pancreatic cancer normally present with advanced disease that is lethal and notoriously difficult to treat. Survival has not improved dramatically, despite routine use of chemotherapy...Full Text Available
BackgroundThe objective of this study was to gain insight into the molecular mechanism of induced cell death (apoptosis) by PYRROLO [1,2-b][1,2,5]BENZOTHIADIAZEPINES...Full Text Available
BackgroundThe exploitation of information extraction (IE), a technology aiming to provide instances of structured representations from free-form text, has been rapidly growing within...Full Text Available
Ever since the pre-molecular era, the birth of new genes with novel functions has been considered to be a major contributor to adaptive evolutionary innovation. Here, I review the origin and evolution...Full Text Available
BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available
Voxel-based prescriptions of deliberately non-uniform dose distributions based on molecular imaging, so-called dose painting or theragnostic radiation therapy, require specification of a transformation...Full Text Available
Mutant strains of the yeast Saccharomyces cerevisiae which lack functional Cu,Zn superoxide dismutase (SOD-1) do not grow aerobically unless supplemented with methionine. The molecular basis of this...Full Text Available
Electrophoretic analysis of protein variation at the coagulation F13B locus has previously revealed three alleles, with alleles 1, 2, and 3 each being at high frequency in European,...Full Text Available
... Highly-Functional Materials" was launched in JFY1996 under the New Materials field. This project was ... Bio-mimetic materials" (1) Advanced stimuli responsive materials (2) Harmonized molecular materials ...
In our quest for novel genes required for the development of the embryonic peripheral nervous system (PNS), we have performed three genetic screens using MAb 22C10 as a marker of terminally differentiated...Full Text Available
Non-Hodgkin lymphoma is a common feature of AIDS. Approximately 30-40% of these tumors exhibit clinical features suggestive of endemic Burkitt lymphoma: they are aggressive malignancies that occur in association with Epstein-Barr virus infection, they arise in the setting of immunosuppression, and they carry t(8;14) translocations without detectable rearrangement of the MYC oncogene. To understand the molecular basis of these parallels, the authors analyzed a case of Epstein-Barr-positive AIDS-associated undifferentiated lymphoma. Southern blots show that the tumor exhibits immunoglobulin joining segment rearrangement but no rearrangement of the MYC oncogene. Cloning of the rearranged joining segment allowed the isolation of recombinant clones encompassing the translocation breakpoint, and sequencing of the translocation junction disclosed that the breakpoint is situated 7 base pairs from the chromosome 14 site involved in a previously described endemic Burkitt ...
Microorganisms in the environment can often adapt to use xenobiotic chemicals as novel growth and energy substrates. Specialized enzyme systems and metabolic pathways for the degradation of man-made...Full Text Available
A 42% (70 of 167 isolates) incidence of resistance to 20 micrograms of trimethoprim per ml was found among clinical isolates of coagulase-negative staphylococci from two hospitals. A specific trimethoprim...Full Text Available
Seventy-nine Mycobacterium bovis isolates recovered from Mexican and Texas cattle were categorized into 16 and 25 distinct types on the basis of IS6110 and direct-repeat fingerprint patterns, respectively....Full Text Available
The sequence-dependent structural variability and conformational dynamics of DNA play pivotal roles in many biological milieus, such as in the site-specific binding of transcription factors to target...Full Text Available
BackgroundNematoda diverged from other animals between 600–1,200 million years ago and has become one of the most diverse animal phyla on earth. Most nematodes are free-living...Full Text Available
BackgroundThe zebrafish is recognized as a versatile cancer and drug screening model. However, it is not known whether the estrogen-responsive genes and signaling pathways that are...Full Text Available
The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available
Two bacteriolytic enzymes secreted by Achromobacter lyticus M497-1 were purified and identified as being very similar (considering their amino acid composition and N-terminal sequence) to alpha- and...Full Text Available
BackgroundIsopentenyl diphosphate (IPP), a common biosynthetic precursor to the labdane diterpene forskolin, has been biosynthesised via a non-mevalonate pathway. Geranylgeranyl...Full Text Available
BackgroundHepatitis A virus (HAV) strains detected in environmental and clinical samples were analysed to characterize the genotypes of HAV circulating in Greece. Fifty (50) sewage...Full Text Available
The walleye dermal sarcoma is a mesenchymal tumor which seasonally affects up to 27% of adult walleye fish (Stizostedion vitreum). It arises multicentrically in the dermis, in which its development...Full Text Available
The fungus Cryptococcus neoformans is a major cause of morbidity and mortality in patients with impaired CD4+ T cell function, particularly those with AIDS. To identify...Full Text Available
The entire genome of rabies virus vaccine strain Flury-LEP-C, a Chinese variant of the rabies virus vaccine strain Flury-LEP, was sequenced. The overall length of the genome of Flury-LEP-C strain was...Full Text Available
Aluminium (Al3+) toxicity is the primary factor limiting crop production on acidic soils worldwide. In addition to an application of lime for soil amelioration, Al3+ resistant plant varieties have been deployed to raise productivity on such hostile soils. This has been possible due to the exploita...
Flavone and isoflavone phytoestrogens are plant chemicals and are known to be competitive inhibitors of cytochrome P450 aromatase with respect to the androgen substrate. Aromatase is the enzyme that...Full Text Available
The Far UpStream Element (FUSE) regulatory system promotes a peak in the concentration of c-Myc during cell cycle. First, the FBP transcriptional activator binds to the FUSE DNA element upstream...Full Text Available
An antiserum was raised in a rabbit against highly purified human liver dihydropteridine reductase (EC 1.6.99.7). Dihydropteridine reductase from human liver, in human cultured fibroblasts and in continuous...Full Text Available
Borrelia burgdorferi is the causative agent of Lyme disease, a tick-borne spirochetosis with a worldwide prevalence. To assist the categorization and typing of fresh isolates from global foci, we have...Full Text Available
AimsThe aims of the study were to study the effect of pre-operative treatment on the expression of tumour-related proteins and to correlate the expression of these...Full Text Available
CTX-M-25 is a novel extended-spectrum β-lactamase isolated from a single Canadian Escherichia coli isolate. Susceptibility testing demonstrated that this enzyme confers resistance...Full Text Available
The sequences of the internal transcribed spacer (ITS) ribosomal DNA (rDNA) domain data obtained by restriction fragment length polymorphism analysis with 18S rDNA and fingerprinting (M13) for clinical...Full Text Available
Cytoadherence or sequestration is essential for the pathogenesis of the most virulent human malaria species, Plasmodium falciparum (P. falciparum). Similar to leukocyte-endothelium...Full Text Available
Vocal learning is a critical behavioral substrate for spoken human language. It is a rare trait found in three distantly related groups of birds-songbirds, hummingbirds, and parrots. These avian groups...Full Text Available
Genes of the S100 fused-type protein (SFTP) family are clustered within the epidermal differentiation complex and encode essential components that maintain epithelial homeostasis and barrier functions....Full Text Available
Bartonella species are being recognized as important bacterial human and canine pathogens, and are associated with multiple arthropod vectors. Bartonella DNA extracted...Full Text Available
Purpose:Methicillin-resistant Staphylococcus aureus (MRSA) strains are commonly classified as hospital-acquired (HA) or community-acquired (CA). Typical HA-MRSA...Full Text Available
Escherichia coli strains producing extended-spectrum β-lactamases (ESBLs) are a major problem in many different hospitals worldwide, causing outbreaks as well as sporadic infections....Full Text Available
Pyrethroid insecticides have been extensively used in China and worldwide for public health pest control. Accurate resistance monitoring is essential to guide the rational use of insecticides and resistance...Full Text Available
The Dot/Icm-translocated Ankyrin B (AnkB) F-box effector of Legionella pneumophila is essential for intra-vacuolar proliferation and functions as a platform for the docking of polyubiquitinated...Full Text Available
Aluminium (Al) toxicity, affecting around half of the world¿s arable land, severely hinders the ability of crop plants to utilize moisture and nutrients by restricting root growth and function. Among the cultivated cereals, rye is the most Al-tolerant and represents an important potential source of ...
Centrioles are intriguing cylindrical organelles composed of triplet microtubules. Proteomic data suggest that a large number of proteins besides tubulin are necessary for the formation and maintenance...Full Text Available
Methylosulfonomonas methylovora M2 is an unusual gram-negative methylotrophic bacterium that can grow on methanesulfonic acid (MSA) as the sole source of carbon and energy. Oxidation...Full Text Available
Isolates of the most commonly observed salmonella serovars in Norwegian fish feed factories from 1998 to 2000 (Salmonella enterica serovar Agona, S. enterica...Full Text Available
A high performance liquid chromatography (HPLC) procedure suitable for the simultaneous determination of the molecular size and concentration of macromolecular hyaluronate and proteoglycans in synovial...Full Text Available
The methanogenic community in hydrothermally active sediments of Guaymas Basin (Gulf of California, Mexico) was analyzed by PCR amplification, cloning, and sequencing of methyl coenzyme M reductase...Full Text Available
The exposure of cells to several metal ions stabilizes HIF-1α protein. However, the molecular mechanisms are not completely understood. They may involve inhibition of hydroxylation by either...Full Text Available
IntroductionNormal and neoplastic breast tissues are comprised of heterogeneous populations of epithelial cells exhibiting various degrees of maturation and differentiation. While...Full Text Available
The identification of predictive biomarkers is at the core of modern toxicology. So far, a number of approaches have been proposed. These rely on statistical inference of toxicity response from either...Full Text Available
Despite the demonstrated clinical efficacy of CD20 monoclonal antibody (mAb) for lymphoma therapy, the in vivo mechanisms of tumor depletion remain controversial and variable. To identify the molecular...Full Text Available
Antibodies of the IgM type present in rabbit anti-epiglycanin antiserum were purified by (NH4)2SO4 precipitation and by ion-exchange, affinity and gel-filtration chromatography. After papain treatment...Full Text Available
We investigate the possibility of producing the $\\omega\\phi$ threshold enhancement recently observed in the $J\\psi\\to\\gamma X(1812),~X(1812)\\to\\omega\\phi$ at BES by assuming the X(1812) to be a candidate of $(K^{*}\\bar K^{*0})$ molecular state. We evaluate the decay rate of $X(1812)\\to\\eta\\eta', \\eta\\eta, \\omega\\phi, K^+K^-, \\rho^+\\rho^-$, $\\omega\\omega, K^{*+}K^{*-}$ and $\\pi^+\\pi^-$ based on the X(1812) to be a candidate of $(\\ksks)$ molecule. It turns out the X(1812) dominantly decays into $\\eta\\eta'$ and $\\eta\\eta$. These channels are suggested to be the laboratory to test the molecular scenario in experiment. We also evaluate the branching fraction $Br(X\\to\\omega\\phi)\\simeq 4.60%$. However, the X(1812) has small branching fractions to decay into other $VV$ or $PP$ final states, from which it seems to be consistent with the experimental observation. In the molecular scenario, the X(1812) ...
The soluble subcellular fraction of a chlB mutant contains an inactive precursor form of the molybdoenzyme nitrate reductase, which can be activated by the addition to the soluble fraction of protein...Full Text Available
BackgroundThe Gene Ontology (GO) is a well known controlled vocabulary describing the biological process, molecular function and cellular...Full Text Available
There is increasing consensus that the uterotrophic estrogenicity assay should be coupled with other morphometric or molecular end points that might enhance its sensitivity. We have previously shown...Full Text Available
Insulin resistance in skeletal muscle is a key phenotype associated with type 2 diabetes (T2D) for which the molecular mediators remain unclear. We therefore conducted an expression analysis of human...Full Text Available
Methylation of the arginine residues of histones by methyltransferases has important consequences for chromatin structure and gene regulation; however, the molecular mechanism(s) of methyltransferase...Full Text Available
Calorie restriction (CR) induces a metabolic shift towards mitochondrial respiration; however, molecular mechanisms underlying CR remain unclear. Recent studies suggest that CR-induced mitochondrial...Full Text Available
A nodulation plasmid, pRtr-514a, of molecular size 180 megadaltons (Mdal) was identified in Rhizobium trifolii strain NZP514. This plasmid was absent in both spontaneous and heat-cured Nod- derivatives...Full Text Available
BACKGROUND: Mitochondrial changes have been described in muscle tissue in acquired hypothyroidism. Among the molecular mechanisms by which thyroid hormones regulate expression of nuclear genes encoding...Full Text Available
Heat shock proteins (Hsp) are a family of stress-inducible molecular chaperones that play multiple roles in a wide variety of animals. However, the roles of Hsps in parasitic nematodes remain largely...Full Text Available
High-resolution near-infrared and far-infrared observations are presented of the southeastern molecular cloud fragment in the IC 5146 dark cloud. These observations rule out earlier suggestions for the formation of massive stars in this fragment.
Deficient wound healing in diabetic patients is very frequent, but the cellular and molecular causes are poorly defined. In this study, we evaluate the hypothesis that high glucose concentrations inhibit...Full Text Available
BackgroundCucumber, Cucumis sativus L. is an important vegetable crop worldwide. Until very recently, cucumber genetic and genomic resources, especially molecular...Full Text Available
Stargardt-like macular degeneration (STGD3) is an early onset, autosomal dominant macular degeneration. STGD3 is characterized by a progressive pathology, the loss of central vision, atrophy...Full Text Available
Exteriorized phosphatidylserine (PS) residues in apoptotic cells trigger rapid phagocytosis by macrophage scavenger receptor pathways. Mimicking apoptosis with liposomes containing PS may represent...Full Text Available
The binding of amphiphilic molecules to lipid bilayers is followed by 19F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available
BackgroundCichlid fishes in Lake Tanganyika exhibit remarkable diversity in their feeding habits. Among them, seven species in the genus Perissodus are known for...Full Text Available
Larvae of an anhydrobiotic insect, Polypedilum vanderplanki, accumulate very large amounts of trehalose as a compatible solute on desiccation, but the molecular mechanisms underlying...Full Text Available
The programming of cellular networks to achieve new biological functions depends on the development of genetic tools that link the presence of a molecular signal to gene-regulatory activity. Recently,...Full Text Available
A 48-hour course of intravenous unfractionated heparin (UFH) is the standard of treatment in conjunction with fibrin-specific thrombolysis in ST-elevation myocardial infarction (STEMI). In recent trials,...Full Text Available
A two-channel optical system has been developed to provide spatially resolved simultaneous imaging of singlet molecular oxygen (1O2) phosphorescence and photosensitizer (PS) fluorescence...Full Text Available
One of the most pervasive ideas regarding the causes of aging is that longevity is constrained in large measure by damage to macromolecules. An increasing body of cellular and molecular data, generated...Full Text Available
While pleiotropic adaptive mutations are thought to be central for evolution, little is known on the downstream molecular effects allowing adaptation to complex ecologically relevant environments. Here...Full Text Available
New experiences can trigger changes in gene expression in the brain. To understand this phenomenon better, we studied zebra finches hearing playbacks of birdsong. Earlier research had shown that initial...Full Text Available
Molecular genetic analysis of Borrelia burgdorferi, the cause of Lyme disease, has been hampered by the absence of any means of efficient generation, identification, and complementation...Full Text Available
Recently developed molecular methods have made it possible to characterize mixed microflora in their entirety, including the substantial numbers of bacteria which do not grow on artificial culture media....Full Text Available
Many epidemiological evidences have proven the association between smoking and periodontal disease. The causality can be further established by linking findings of traditional epidemiological studies...Full Text Available
Self-renewal of spermatogonial stem cells (SSCs) is the foundation for maintenance of spermatogenesis throughout life in males and for continuation of a species. The molecular mechanism underlying stem...Full Text Available
A simulation is developed that qualitatively describes the small-zone-gel-filtration behaviour of a reversibly associating protein. The results reflect the dependence of the apparent molecular weight...Full Text Available
Cyteogenetic maps of sorghum chromosomes 3-7, 9, and 10 were constructed on the basis of the fluorescence in situ hybridization (FISH) of ~ ... regions of heterchromatin were delimited for all 10 sorghum chrom...
Fast and efficient high-throughput techniques are essential for the molecular diagnosis of highly heterogeneous hereditary diseases, such as retinitis pigmentosa (RP). We had previously approached RP...Full Text Available
BackgroundOncidium spp. produce commercially important orchid cut flowers. However, they are amenable to intergeneric and inter-specific crossing making phylogenetic...Full Text Available
BackgroundInterest in lycopene metabolism and regulation is growing rapidly because accumulative studies have suggested an important role for lycopene in human health promotion....Full Text Available
BackgroundPrimary hepatocytes are the best resource for in vitro studies directed at understanding hepatic processes at the cellular and molecular levels, necessary...Full Text Available
There is growing epidemiological and molecular evidence that ABO blood group affects host susceptibility to severe Plasmodium falciparum infection. The high frequency of common...Full Text Available
Endometrial carcinoma is the most commonly diagnosed gynaecological cancer in developed countries. Although the molecular genetics of this disease has been in the focus of many research laboratories...Full Text Available
In situ hybridization, a powerful tool for the molecular cytogeneticist, can be used to physically map repetitive, low-copy, and unique DNA sequences in plant chromosomes. With the availability of a...Full Text Available
Different tombusviruses were able to support the replication of either homologous or heterologous defective interfering (DI) RNAs, and those infected plants usually developed typical attenuated symptoms....Full Text Available
Molecular analysis of the amo gene cluster in Nitrosococcus oceani revealed that it consists of five genes, instead of the three known genes, amoCAB....Full Text Available
Tail plates obtained from T4D amber mutants were examined with respect to sedimentation behavior, subunit molecular weights, amino acid composition, isoelectric points, and morphology. Intact plates...Full Text Available
Designer cellulosomes are precision-engineered multienzyme complexes in which the molecular architecture and enzyme content are exquisitely controlled. This system was used to examine enzyme cooperation...Full Text Available
Cd36 is a small-molecular-weight integral membrane protein expressed in a diverse, but select, range of cell types. It has an equally diverse range of ligands and physiological functions, which has...Full Text Available
The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...
Differential scanning calorimetric (DSC) studies of the glassy states of as-received and hydrated lysozyme, hemoglobin, and myoglobin powders, with water contents of < or = 0.25, < or...Full Text Available
A nationwide survey of extended-spectrum β-lactamase (ESBL) production among Enterobacteriaceae, carried out in 2003, showed that CTX-M-type enzymes have achieved a sizeable...Full Text Available
Two additional hyperfine components of the interstellar radical C3H were detected. In addition, methanol was discovered in interstellar clouds. The abundance of HCCN and various chemical isomers in molecular clouds was investigated.
The evolution of sex remains a hotly debated topic in evolutionary biology. In particular, studying the origins of the molecular mechanisms underlying sexual reproduction and gametogenesis (its fundamental...Full Text Available
The extracellular domain of human fibroblast growth factor receptor (XC-FGF-R) was expressed in Escherichia coli. The protein was purified to homogeneity and the interaction with basic fibroblast growth...Full Text Available
Molecular chaperones protect cells from the deleterious effects of protein misfolding and aggregation. Neurotoxicity of amyloid-beta (Aβ) aggregates and their deposition in senile plaques are...Full Text Available
The complete RNA genome of the avian nephritis virus (ANV) associated with acute nephritis in chickens has been molecularly cloned and sequenced. Excluding the poly(A) tail, the genome comprises 6,927...Full Text Available
BackgroundMolecular docking methods are commonly used for predicting binding modes and energies of ligands to proteins. For accurate complex geometry and binding energy estimation,...Full Text Available
Transgenic mouse models have contributed considerably to our understanding of the cellular and molecular mechanisms by which androgens control spermatogenesis. Cell-selective ablation of the androgen...Full Text Available
Ozone (O3) is an oxidant gas that can directly induce lung injury. Knowledge of the initial molecular events of the acute O3 response would be useful in developing biomarkers of...Full Text Available
SummaryThe prevalence of paralogous enzymes implies that novel catalytic functions can evolve on preexisting protein scaffolds. The weak secondary activities of proteins, which...Full Text Available
A general procedure for stabilization of O2-labile enzymes exploiting "salting out" of oxygen from the microenvironment in the molecular layers immediately adjacent to charged surfaces of polyionic...Full Text Available
BackgroundA panel of 37 rabies virus isolates were collected and studied, originating mainly from the northern and central regions of Namibia, between 1980 and 2003.ResultsThese...Full Text Available
ObjectiveThe goal of the study was to investigate the genetic and molecular basis of a novel syndrome of marked hyperglucagonemia and pancreatic α cell hyperplasia...Full Text Available
Leaf senescence is a developmentally programmed degeneration process, which is fine tuned by a complex regulatory network for plant fitness. However, molecular regulation of leaf senescence is poorly...Full Text Available
Significant research has been devoted to predicting diagnosis, prognosis, and response to treatment using high-throughput assays. Rapid translation into clinical results hinges upon efficient access...Full Text Available
Traditional approaches to the study of hormones and cognition have been primarily observational or correlational in nature. Because this work does not permit causal relationships to be identified,...Full Text Available
Autophagic adapters including p62/SQSTM1 recognize polyubiquitinated autophagic targets such as toxic protein aggregates. Recently reporting in Molecular Cell, Filimonenko et al. provide evidence...Full Text Available
The decline in immune function with aging, known as immunosenescence, has been implicated in evolutionarily diverse species, but the underlying molecular mechanisms are not understood. During aging...Full Text Available
Hepatocellular carcinoma (HCC) is a primary malignancy of the liver, which is closely related to hepatitis C and cirrhosis. The molecular mechanisms underlying the hepatocarcinogenesis induced by HCV...Full Text Available
Although studied for many years the nature of the light scalar mesons remains controversial. Here we shall present a method, applicable for s-wave states located close to a threshold, that allows one to quantify the molecular part of a given state. When applied to the f{sub 0}(980) a dominance of the molecular component is found. In the second part, we show that requirements of field-theoretic consistency and chiral symmetry, when applied to the scattering of light pseudo-scalars, naturally lead to the appearance of dynamical poles in the scalar sector. A program is proposed on how to further investigate experimentally the mixing between these dynamical states and possible genuine quark states. (orig.)
In the last two years, rapid progress has been made in the energy conversion efficiencies of GaAs solar cells fabricated from molecular beam epitaxy (MBE) material. The efficiencies of cells fabricated from MBE material are now comparable with those fabricated from metal-organic chemical vapor deposition material, even for cells of dimension 2 cmx4 cm. This paper reviews the progress in MBE cell efficiencies. Also discussed is the role oval defects play in GaAs diode and solar cell performance. (orig.).
Abstract Over the last decade, the environmental sciences have witnessed an incredible movement towards the utilization of high-throughput molecular tools that are capable of detecting simultaneous changes of hundreds, and even thousands, of molecules and molecular components after exposure of organisms to different environmental stressors. These techniques have received a great deal of attention because they not only offer the potential to unravel novel mechanisms of physiological and toxic action but are also amenable to the discovery of biomarkers of exposure and effects. In this article, we review the state of knowledge of one of these tools in ecotoxicological research: proteomics. We summarize the state of proteomics research in fish, and follow with studies conducted with aquatic in...
By treatment with beta or gamma rays, PTFE waste is converted to high-grade PTFE fine powder. High-molecular weight PTFE is degraded to low-molecular weight PTFE. Due to this the density, the degree of crystallinity, and the melt flow index are increased, which enhances the brittleness of the material. Irradiation of PTFE thus facilitates milling and makes the material pourable and free-flowing. Milled PTFE fine powder, lie PTFE plastic, combines temperature resistance, weather fastness, and chemical stability with good slip behaviour and antiadhesive properties. Areas of application for fine powder include additives for plastics, printing inks, nonstick coatings, and antifriction lacquers. (orig.).
The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr{sup -}and 20 nA for SrO{sup -}. (orig.).
The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr"-and 20 nA for SrO"-. (orig.).
Predicted by stochastic models and observed experimentally in a number of isomerization reactions, viscosity-induced solvent effects manifest themselves in a significant departure of the reaction rates from the values expected on the basis of transition state theory. These effects are well understood within the framework of stochastic models; however, the predictive power of such models is limited by the fact that their parameters are not readily available. Experiment and molecular dynamics (MD) simulations can provide such information and can serve as the testing grounds for various stochastic models. In real solvents, a change in viscosity is inevitably associated with variation of at least one of the three factors - temperature, pressure, or solvent identity, resulting in different solv...
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.
Those materials that can be extracted from pine or oak by ether, ethanol, methyl methacrylate (MMA), or benzene--alcohol all act as inhibitors in the #gamma# polymerization of MMA--wood composites. It was found that preirradiation of either the wood or of the wood--monomer combination reduces or eliminates the inhibitory effect. The most practical industrial solution to this problem is to increase the dose, thereby achieving high molecular polymer in the composite. However, the presence of a maximum in the molecular weight--dose curves means that each wood--monomer pair may have a different optimum dose.
By gas-source molecular-beam epitaxy, we obtained a device-quality GaInP epitaxial layer lattice matched to (100)-GaAs substrates, with a photoluminescence efficiency comparable to that of a crystal grown by liquid-phase epitaxy. A GaInP/AlInP double heterostructure laser with a GaInP active layer was fabricated, and pulsed lasing operation was achieved at room temperature for, we believe, the first time.
By comparison of standard entropies theoretically calculated and determined from gas-chromatographic data for 40 halo-aliphatic and halo-aromatic compounds 8 organic iodine compounds among them, adsorbed on graphitized thermal carbon black it was found that in all the cases the molecular model of ideal two-dimensional gas is a sufficiently good approximation. It was shown that for a number of systems the agreement can be improved if the vibrations of the center of molecular mass relative to the surface are taken into account
Olive mill effluent (OMW) is an example of a wastewaters containing high concentrations of recalcitrant and toxic compounds which are polyphenolics of different molecular weight. It causes disposal problems because they contain powerful pollutants. Treatment and detoxification of phenolic fraction extracted from olive mill wastewaters as well as a synthetic phenolic mixture was investigated by electro-Fenton method. Results shows that this method is highly efficient in polymerising low molecular mass phenolics and removing a large amount of recalcitrant polyphenolic compounds. This treatment decreased 78% of the toxicity which sustained a good anaerobic post-treatment. (orig.)
Dunaliella salina cells were pulse-labeled for 2 min with (/sup 14/C)palmitic acid, (/sup 14/C)oleic acid, or (/sup 14/C)lauric acid in order to trace the pathway of galactolipid biosynthesis and desaturation. Through the use of high performance liquid chromatography it was possible to follow the movement of radioactivity through many individual molecular species of monogalactosyldiacylglycerol (MGDG) and digalactosyldiacylglycerol (DGDG) for periods of 24 h and, in some cases, as much as 120 h. Analysis of the fatty acid fluxes permitted us to refine current views regarding biosynthesis of the predominantly prokaryotic galactolipids. The initial D. salina MGDG molecular species, containing paired oleate and palmitate (18:1/16:0), can follow two metabolic routes. If the palmitoyl chain is desaturated to 16:1, the resulting 18:1/16:1 MGDG is subject to rapid further desaturation to varying degrees, and a part of these products is subsequently ...
Radiation inactivation and sedimentation equilibrium analysis were used to determine the functional and physical size of the chicken hepatic membrane receptor that binds N-acetylglucosamine-terminated glycoproteins. Purified plasma membranes from chicken liver were irradiated with high energy electrons and assayed for 125I-agalactoorosomucoid binding. Increasing the dose of ionizing radiation resulted in a monoexponential decay in binding activity due to a progressive loss of binding sites. The molecular mass of the chicken lectin, determined in situ by target analysis, was 69,000 +/- 9,000 Da. When the same irradiated membranes were solubilized in Brij 58 and assayed, the binding protein exhibited a target size of 62,000 +/- 4,000 Da; in Triton X-100, the functional size of the receptor was 85,000 +/- 10,000 Da. Sedimentation equilibrium measurements of the purified binding protein yielded a lower limit molecular weight of 79,000 +/- 7,000. ...
The authors present the results of an investigation of the effect of gamma radiation on the properties of low-molecular moulded polymethyl methacrylates (molecular weight distribution, physico-mechanical properties, resistance to the effects of aqueous media and physiological solution) in the form of copolymers of methyl methacrylate with methyl acrylate (MA) or butyl acrylate (BA) with the brand names Dacryl-4B, Dacryl-2M and Dacryl-4M (4% BA; 2 and 4% MA respectively) having a molecular weight of around 10"5. For comparison, block polymethyl methacrylate with a molecular weight of 3 x 10"6 was used. The results of experiments on the ageing of unirradiated and irradiated specimens in a heated store-room (t = 10 - 20"0C) and at high temperatures (90"0C) are also given. It is shown that irradiation with doses of 2.5 - 20 Mrad leads to radiolysis of the above copolymers, accompanied by destructive ...
The authors present the results of an investigation of the effect of gamma radiation on the properties of low-molecular moulded polymethyl methacrylates (molecular weight distribution, physicomechanical properties, resistance to the effects of aqueous media and physiological solution) in the form of copolymers of methyl methacrylate with methyl (MA) or butyl acrylate (BA) with the brand names Dacryl-4B, Dacryl-2M and Dacryl-4M (4% BA; 2 and 4% MA respectively) having a molecular weight of around 10"5. For comparison, block polymethyl methacrylate with a molecular weight of 3 x 10"6 was used. The results of experiments on the ageing of unirradiated and irradiated specimens in a heated store-room (t = 10 - 20"0C) and at high temperatures (90"0C) are also given. It is shown that irradiation with doses of 2.5-20 Mrad leads to radiolysis of the above copolymers, accompanied by destructive processes. Evidence ...
The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory-and of its extension to other Lie and quantum groups-by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing powerful tools based on asymptotic expansions, which correspond on the physical side to ...
We describe a new apparatus that combines pulsed laser excitation in a molecular beam with surface-science methods for preparation of clean single-crystal surfaces and detection of adsorbates to enable state-selected studies of gas-surface reaction dynamics. Reactant molecules are prepared in specific vibrationally excited states via overtone pumping using tunable, narrow-band laser radiation. The collision-free environment of the molecular beam prevents relaxation of the prepared molecules before impact on the target surface and enables complete control over the collision energy and incidence angle. Chemisorption products are detected after a given deposition time by Auger electron spectroscopy. To achieve sufficient beam flux of state-selected reactant molecules for product detection by standard surface-science techniques, we use a high-intensity, short-pulse molecular-beam source matched to the low duty cycle of the ...
An attempt to gain an understanding of the formation mechanism of these 'soot-like' materials has been made by means of tracing the changes in the molecular-mass distribution and molecular structure of the NMP-extractable materials from an injectant coal as well as its partially gasified chars and its pyrolytic tars. Variations in the SEC chromatograms provide clues about changes in the apparent molecular-mass distributions of these NMP extracts. Results suggest that the build-up of 'soot-like' materials follows from the secondary reactions of tars evolved from the injectant coal. The likely secondary-reaction pathways have been probed by collating structural information on these NMP extracts. The time-resolved 13-16 and 22-25 min elution fractions from the SEC column have been characterized using UV fluorescence (UV F) spectroscopy. Greater concentrations of larger aromatic ring systems ...
We present sensitive high angular resolution (0.''57-0.''78) SO, SO_2, CO, C_2H_5OH, HC_3N, and HCOCH_2OH line observations at millimeter and submillimeter wavelengths of the young O-type protostar W51 North made with the Submillimeter Array. We report the presence of a large (about 8000 AU) and hot molecular circumstellar disk around this object, which connects the inner dusty disk with the molecular ring or toroid reported recently and confirms the existence of a single bipolar outflow emanating from this object. The molecular emission from the large disk is observed in layers with the transitions characterized by high excitation temperatures in their lower energy states (up to 1512 K) being concentrated closer to the central massive protostar. The molecular emission from those transitions with low or moderate excitation temperatures is found in the outermost parts of the disk and exhibits an inner ...
This report summarizes work performed on this project from October 2004 through March 2005. In previous work, a surfactant modified zeolite (SMZ) was shown to be an effective system for removing BTEX contaminants from produced water. Additional work on this project demonstrated that a compost-based biofilter could biodegrade the BTEX contaminants found in the SMZ regeneration waste gas stream. However, it was also determined that the BTEX concentrations in the waste gas stream varied significantly during the regeneration period and the initial BTEX concentrations were too high for the biofilter to handle effectively. A series of experiments were conducted to determine the feasibility of using a passive adsorption column placed upstream of the biofilter to attenuate the peak gas-phase VOC concentrations delivered to the biofilter during the SMZ regeneration process. In preparation for the field test of the SMZ/VPB treatment system in New Mexico, a pilot-scale SMZ ...
Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} have been determined by employing speed of sound data. Topological investigations of V{sup E} data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. H{sup E} and {kappa}{sub S}{sup E} values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated H{sup E} and {kappa}{sub S}{sup E} values compare well with their corresponding experimental ...
Molar excess volumes, VE, molar excess enthalpies, HE, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, ?SE have been determined by employing speed of sound data. Topological investigations of VE data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. HE and ?SE values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated HE and ?SE values compare well with their corresponding experimental values. The observed VE, HE and ?SE data have also been analyzed in terms of Flory ...
We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...
We tried to apply a quartz crystal as a sensor by using the resonant frequency and the resistance properties of quartz crystals. Four kinds of fatty acids that have the same head groups were coated on the surfaces of the quartz crystals, and the shift of the resonant frequency and the resistance were observed based on the lengths of the tail groups. Myristic acid (C{sub 14}), palmitic acid (C{sub 16}), stearic acid (C{sub 18}), and arachidic acid (C{sub 20}) were deposited on the surfaces of quartz crystals by using the Langmuir-Blodgett (LB) method. As a result, the resonant frequency change was more sensitive to high molecular-weight fatty acids than to low molecular-weight ones. We also observed the effect of temperature on stearic acid LB films, and the response properties of quartz crystals coated with stearic-acid LB films to organic gases were investigated. As a result, the sensitivity of quartz crystals to organic gases was higher for ...
We present new 12CO J=3-2 and HCN J=3-2 molecular line maps of the region surrounding the young star AR 6 using the 15 metre James Clerk Maxwell Telescope. AR 6 was previously found to be a double source with both components exhibiting several characteristics of FU Orionis (FUor) eruptive variable stars. Our data indicates that AR 6, like FU Orionis itself, does not possess a CO outflow and likewise, does not show evidence for large amounts of molecular g as in its circumstellar environment. We conclude that from the near-IR to the sub-mm, AR 6 is similar to FU Orionis in several respects. We interpret the lack of significant dust and molecular gas in the circumstellar environment of AR 6, together with the large near-IR thermal excess, as evidence that the sources have exhausted their natal envelopes, that they have at least small hot circumstellar disks, and that they are more evolved than Class I protostars. This, in ...
Cryogenic distillation is the main industrial method for separating hydrogen's isotopes, because it presents the advantage of high separating factors and also the possibility of processing great quantities of gases. In the case of multicomponent mixtures the determination of transport for molecular species between the two phases is very difficult owing to the particularities of physical characteristics of each component from the mixture. The transport of molecular species is also strongly influenced by the hydrodynamics of two phases, in strong connection with the dimension of the interface between the vapor and liquid phase. The characteristics of the interface depend on the type and geometry of the separation area: plates or package. The traditional methods of analysis for exchange processes use the concept 'theoretic plate', a physical entity for which the values of concentrations for vapors and liquid that leaves ...
We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C{sub 60} and C{sub 20}) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10{sup -7} and 6.768 x 10{sup -7} nN/atom for C{sub 60} and C{sub 20} bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C{sub 60} and C{sub 20} bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings.
We numerically constructed elementary phase-correct global quantum gates by using molecular electronic and vibrational states to encode two qubits and implement the Deutsch-Jozsa algorithm. The calculations were based on optimal control theory (OCT). The molecular species we chose were Na{sub 2} and Li{sub 2}. The electronic X{sup 1}{sigma}{sub g}{sup +} and A{sup 1}{sigma}{sub u}{sup +} states were taken as two orthonormalized energy levels of the electronic qubit. The vibrational qubits were those involved in these electronic states. The time duration of the optimized pulses with high fidelity was typically 500-900 fs, which reflects the wavepacket dynamics in electronically ground and excited states. When implementing the Deutsch-Jozsa algorithm by combining these elementary gates, we obtained a maximum probability 83.12% for Li{sub 2} molecule, which indicates that the electronic-vibrational qubits are worse than the vibrational-vibrational ...
We have developed a transportable container based direct detection Doppler lidar based on the double-edge molecular technique. The pulsed solid state system was built at the University of Geneva. It was used to make range resolved measurements of the atmospheric wind field as part of the VALID campaign at the Observatoire de Haute Provence in Provence, France in July 1999. Comparison of our lidar wind measurements, which were analyzed without knowledge of the results of rawinsonde measurements made under the supervision of ESA, show good agreement with these rawinsondes. These are the first Doppler lidar field measurements made with an eyesafe direct detection molecular-based system at 355 nm and serve as a demonstrator for future spaceborne direct detection wind systems such as the Atmospheric Dynamics mission. Winds are an important contributor to sea surface temperature measurements made with the Tropical Rainfall Measuring Mission (TRMM) ...
We study the evolution of the cold gas content of galaxies by splitting the interstellar medium into its atomic and molecular hydrogen components, using the galaxy formation model GALFORM in the LCDM framework. We calculate the molecular-to-atomic hydrogen mass ratio, H2/HI, in each galaxy using two different approaches; the pressure-based empirical relation of Blitz & Rosolowsky and the theoretical model of Krumholz, McKeee & Tumlinson, and apply them to consistently calculate the star formation rates of galaxies. We find that the model based on the Blitz & Rosolowsky law predicts an HI mass function, CO(1-0) luminosity function, correlations between the H2/HI ratio and stellar and cold gas mass, and infrared-CO luminosity relation in good agreement with local and high redshift observations. The HI mass function evolves weakly with redshift, with the number density of high mass galaxies decreasing with increasing redshift. In the ...
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 ...
An in situ synthesis of ZnS and CdS quantum dots (QDs) in an aqueous solution of sodium hyaluronate (Hyal) produced foils emitting light on excitation with a UV light. The wavelength of emission was only slightly QDs size and more QDs concentration dependent and reached up to {approx}320 nm in the case of ZnS and {approx}400-450 nm in the case of CdS. Nanoparticles remained as non-agglomerated 10-20 nm nanoclusters. CdS/Hyal and ZnS/Hyal-QDs biocomposites were characterized using photoluminescence (PL), IR spectrometric techniques, and Transmission Electron Microscopy (TEM). The absolute molecular weights, radii of gyration, R{sub g}, and thermodynamic properties of the obtained foils are given. Electric resistivity studies performed for the hyaluronic foil in the 100-1000 V range have revealed that the hyaluronate foil has very weak conducting properties and QDs only insignificantly affect those properties as QDs practically did not interact with the foil. Size ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...
The mammalian placenta consists of different trophoblast cell types that assist in the variety of functions required for the maintenance of pregnancy. In rodents, labyrinthine trophoblasts of the placenta are especially important, because they are capable of differentiating into fused labyrinthine cells, which form the feto-maternal exchange surface. Even though the molecular signals triggering labyrinthine trophoblast differentiation are poorly understood, transforming growth factor-b (TGF-b) has been shown to be present in the placental environment and alter trophoblast development. In this study, we investigated the effects of TGF-b on the differentiation of the labyrinthine trophoblast stem cell lines SM10 and HRP-1. RT-PCR analyses demonstrated that while the molecular expression of l...
The buckling behaviors of double-walled carbon nanotubes (DWCNTs) under torsion are investigated by using molecular dynamics (MD) simulations. The effect of length on the torsional buckling behaviors of DWCNTs is examined for the first time. The simulation results show that the DWCNTs experience gradual or simultaneous buckling deformations depending on their lengths. In addition, the effect of the inner tube in a DWCNT on its torsional buckling behavior is also examined. The presence of the inner tube triggers van der Waals (vdW) interactions between it and the outer tube and thus leads to a stiffening effect of the DWCNT against torsional deformation. Whether the ends of the inner tube are free or fixed and whether it is subject to a torque or not, the critical torque and the critical torsional angle of the outer tube are only marginally affected.
Molar excess volumes, VE and molar excess enthalpies, HE of 1,3-dioxolane (D) (i) + propan-1-ol, 1,3-dioxolane (i) + butan-1-ol and 1,3-dioxolane (i) + butan-2-ol (j) binary mixtures have been measured as a function of composition at 308.15 K. The analysis of VE data by graph, theoretical approach reveals that while propan-1-ol, butan-1-ol exist as associated entities in the pure state; 1,3-dioxolane and butanol exist as monomers in their pure state. These (i+j) binary mixtures are characterized by interactions between ethereal oxygen atom of D(i) and hydrogen atom of alkanols. The IR studies lend additional support to the proposed structure of molecular entitles in these mixtures. The energetics of the mixtures have also been studied.
Abstract We analyse extinction maps of nearby giant molecular clouds to forge a link between driving processes of turbulence and modes of star formation. Our investigation focuses on cloud structure in the column density range above the self-shielding threshold of 1-mag AV and below the star formation threshold - the regime in which turbulence is expected to dominate. We identify clouds with shallow mass distributions as cluster forming. Clouds that form stars in a less clustered or isolated mode show a steeper mass distribution. Structure functions prove inadequate to distinguish between clouds of different star formation mode. They may, however, suggest that the turbulence in the average cloud is governed by solenoidal forcing. The same is found using the -variance analysis which also in...
Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si{sub 3}N{sub 4}. The authors find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si{sub 3}N{sub 4} as a function of grain size and porosity are well described by a multiphase model for heterogeneous materials. The study of fracture in the nanophase Si{sub 3}N{sub 4} reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si{sub 3}N{sub 4}. This is due to branching and pinning of the crack front by nanoscale microstructures.
Synthesis of protein molecules in a cell are carried out by ribosomes. A ribosome can be regarded as a molecular motor which utilizes the input chemical energy to move on a messenger RNA (mRNA) track that also serves as a template for the polymerization of the corresponding protein. The forward movement, however, is characterized by an alternating sequence of translocation and pause. Using a quantitative model, which captures the mechanochemical cycle of an individual ribosome, we derive an {\\it exact} analytical expression for the distribution of its dwell times at the successive positions on the mRNA track. Inverse of the average dwell time satisfies a ``Michaelis-Menten-like'' equation and is consistent with the general formula for the average velocity of a molecular motor with an unbranched mechano-chemical cycle. Extending this formula appropriately, we also derive the exact force-velocity relation for a ribosome. Often many ribosomes ...
Abstract Mitochondrial ribosomal gene sequences were used to investigate the status of several populations of hydromedusae belonging to the genus Turritopsis (family Oceaniidae). Several nominal species have been described for this genus, but most of them had been synonymized and attributed to one cosmopolitan species, Turritopsis nutricula. A recent revision based on morphological and reproductive characters, however, has shown that many different populations can be distinguished and that several of the nominal Turritopsis species are likely valid biological species. Our investigation using molecular sequence data of 16S mitochondrial gene confirms these results. The Mediterranean Turritopsis must be attributed to Turritopsis dohrnii and the Turritopsis of New Zealand must be referred to ...
This study investigated the occurrence of free-living amoebae (FLA) in immunodeficiency wards of hospitals in Tehran, Iran. A total of 70 dust and biofilm samples from wards serving transplant, pediatric (malignancies), HIV, leukemia and oncology patients of five university hospitals were collected and examined for the presence of FLA using culturing and molecular approaches. Based on the morphology of the amoebae in plate cultures, primer sets were applied for molecular identification of Acanthamoeba, vahlkampfiid amoebae and Hartmannella. Out of 70 samples, 37 (52.9%) were positive for FLA. Acanthamoeba belonged to the T4 genotype was the most prevalent isolate. Presence of the T4 genotype on medical instruments, including an oxygen mask in an isolation room of an immunodeficiency pediat...
...the School, the research group structure was recently revised and now comprises the following teams: Drug Design and Analysis Pharmaceutics Pharmacy Practice and Policy Pharmacological and Biomedical Science The current structure was designed to take into account the future development of research in the academic area. The ...Discovery, Molecular Modelling, Pharmacology and Molecular Biology) and international recognition (Biological Sciences), which have now been re-organised into the Drug Design and Analysis and Pharmacological and Biomedical Sciences teams. The reorganisation also aimed to improve the research reputation of the other teams. The improvements in ... Email to a friend Print Within this area Drug design and analysis Pharmaceutics Pharmacy practice and policy Pharmacological and biomedical sciences Projects Publications Staff Considering a course? Research Degrees Course Finder Order a Prospectus Subject Areas Sunderland Facts ...
Over the decades, basic research in life sciences has profited greatly from the study of the small unicellular fungal species Saccharomyces cerevisiae. This yeast turned out to be key for the identification and understanding of molecular mechanisms that underlay the basic functions of all eukaryotic cells. These include, but are not limited to, the regulatory mechanisms behind cellular reproduction (cell cycle control), cellular morphogenesis (cell polarity, cytoskeleton and membrane trafficking) and the management of cellular information (chromosome biology, transcription and translation). Rapid access to genomic information of many yeast species, combined with bioinformatics analyses, provide information on the evolutionary history of yeasts and the molecular ancestry of their constituen...
The molecular environment of the key subdomain IIId of the internal ribosome entry site (IRES) element of hepatitis C virus (HCV) RNA in the binary complex with the human 40S ribosomal subunit was studied. To this end, HCV IRES derivatives bearing perfluorophenylazido groups activatable by mild UV at nucleotides G263 or A275 in the subdomain IIId stem were used. They were prepared by the complementary addressed modification of the corresponding RNA transcript with alkylating oligodeoxyribonucleotide derivatives. None of the RNA derivatives were shown to be crosslinked to the 18S rRNA. It was found that the photoreactive groups of the IRES G263 and A275 nucleotides are crosslinked to ribosomal proteins S3a, S14, and S16. For the IRES derivative with the photoreactive group in nucleotide G26...
This paper reports the use of molecular methods to characterize the coprophilous fungal communities (CFC) that inhabit the dung of four species of mammalian herbivores at two sites, Sevilleta National Wildlife Refuge (SNWR) in New Mexico and Wind Cave National Park (WCNP) in South Dakota. Results reveal that CFC from domesticated cattle (Bos taurus) at SNWR, and bison (Bison bison) and black-tailed prairie dogs (Cynomys ludovicianus) at WCNP were diverse but dominated primarily by members within eight taxonomic orders, including the rarely cultured and anaerobic order Neocallimastigales. In addition, 7.7% (138 of 1,788) of the sequences obtained from all dung samples were at least 97% similar to root-associated fungal (RAF) sequences previously described from blue grama (Bouteloua gracilis...
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.
In this work, a highly-sensitive polymeric membrane ion selective electrode for determination of tetracycline was constructed by using molecularly imprinted polymer (MIP) particles as quasi-ionophore. The water-compatible MIP particles targeting tetracycline were synthesized with tetracycline as a template molecule, methacrylic acid as a functional monomer, ethylene glycol dimethacrylate as a cross-linker, 2,2?-azobisisobutyronitrile as an initiator and lanthanum ion as a mediator. Benefited from the distinctive performance of the quasi-ionophore and the optimized composition of the membrane and the inner filling solution, the lower detection limit of the electrode was decreased to about 1 ? 10?8 mol/l. It exhibited a good electrode slope 59.8 mV/decade near the theoretical Nernstian one, ...
AlGaInP-based quantum-well laser diodes operating at wavelengths near 680 nm have been grown by all solid source molecular beam epitaxy (SSMBE). The lowest room temperature threshold current densities obtained from shallow rid structures were 300 A/cm{sup 2} and 330 A/cm{sup 2} for pulsed and continuous wave operation, respectively. The dependences of the differential quantum efficiency and threshold current density on the cavity length were also studied in this preliminary SSMBE work. The internal quantum efficiency of 87--89% and the internal losses of 7--10 cm{sup {minus}1} were obtained.
The development of nano/molecular devices will require atomic-sized electrical contacts or nano metric conductors for wiring. As metal nano wires exhibit quantized conductance at room temperature, quantum transport effects will play an important role in the practical implementation of nano devices. As copper is currently used as interconnecting metal in standard microelectronics, the characterization of Cu nano wire properties deserves special attention. In this work, we show a detailed study of structural and electronic properties of atomic-sized Cu wires. In particular, we have established a complete correlation between the conductance and the structure by associating real-time atomic resolution transmission electron microscopy imaging with molecular dynamic simulations, conductance measurements and conductance calculations. Our study has revealed the structural relaxation of Cu wires forming a pentagonal atomic arrangement along the [110] ...
It is the intention of this paper to point to some of the problems due to molecular motion and to suggest a few solutions to those problems. A few examples will be presented of model systems which demonstrate the effects of motion on the NMR spectroscopy and a very qualitative example of severe spectral distortion in fulvic acids will be shown. In the following discussions we will use concepts derived from the oft repeated thermodynamic picture shown in figure 1. When dealing with a homogeneous, pure compound this picture is sufficient but in a heterogeneous mixture, it is likely that there will be different compounds and different domains all with slightly different versions of figure 1 with poor thermodynamic contact between them. Thus optimal conditions for cross polarization in one domain may be totally inappropriate for another. 59 refs., 10 figs.
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.
Conditions of the separation and detection of organic and inorganic anions by gradient ion chromatography and suppressed conductivity detection were studied, and the procedure of gradient elution was optimized. A detection limit of 1 x 10{sup -3} {mu}g x L{sup -1} was obtained using the pre-concentrated column and most relative standard deviations obtained in the determination of seven organic and inorganic anions were below 5%. This method was proved to be simple, rapid and accurate for the separation and determination of low-molecular-weight organic acids and inorganic anions and could be applied in the analysis of the samples from water and steam systems of thermal power plants with satisfactory results. (orig.)
The magnetic three spin-1/2 model for nanometer-scale molecular cluster V15 is analyzed with the emphasis on the origin of the mixing of different spin levels in the resonance fields that is generally important for the problem of single molecular magnets. The zero-field splitting in the ground quadruplet (two Formula Not Shown levels) is shown to depend mainly on the normal component of AS exchange meanwhile the zero-field splitting in the excited Formula Not Shown multiplet is a second order effect with respect to in-plane components of AS exchange. The normal component of the AS exchange is shown to lead to the exact crossing of the magnetic sublevels at the arbitrary direction of the field. The positions of two crossing/anticrossing points in the ground manifold depend mainly on the iso...
Measurements of absolute differential cross sections for H"+-H_2 direct, single-, and double-charge-transfer scattering at 0.5, 1.5, and 5.0 keV are reported at laboratory scattering angles less than 1 degree with an angular resolution of approximately 0.02 degree. The cross sections exhibit deep interference oscillations in single-charge-transfer scattering, but no such oscillations are present in direct and double-charge-transfer scattering. Theoretical cross sections derived using the diatoms-in-molecules method to describe the molecular states in a semiclassical molecular-orbital three-state close-coupling model within a semiclassical framework agree satisfactorily with the experimental results.
Purpose To study the chemical modifications induced upon irradiation of solid human insulin at radiosterilization doses and investigate the influence of the absorbed dose on radiolysis. Materials and Methods Volatile radiolytic products were monitored by gas chromatography coupled with mass spectrometry (GC-MS) and non-volatile products by two different high performance liquid chromatography (HPLC) methods: the formation of higher molecular weight proteins was assessed by size exclusion liquid chromatography whereas assays for related compounds and chemical potency tests were carried out using reverse-phase HPLC-UV. Conformational changes were investigated by measurements of circular dichroism. Results After gamma irradiation at 10?kGy, the recovery of insulin was 96.8%; higher molecular w...
A series of desilicated ZSM-5 catalysts previously shown to have improved catalytic performance in the MTG (methanol-to-gasoline) reaction [M. Bjorgen, F. Joensen, M.S. Holm, U. Olsbye, K.-P. Lillerud, S. Svelle, Appl. Catal. A 345 (2008) 43] was subjected to thorough examination using FTIR. Clearly, defects represented by internal Si-OH sites are removed upon NaOH treatment. In a parallel manner, free Si-OH sites increase in concentration and the results point to a selective mechanism for formation of mesopores as the framework dissolution preferentially takes place at defective sites in the crystallites. The acid properties of the desilicated materials were investigated by applying CO and collidine (2,4,6-trimethylpyridine) as molecular probes. Monitoring the induced frequency shifts upo...
A means of determination of a ctive hydrogen of hydroxyl, carboxyl, sulfhydryl, amino, amido and sulfonamido groups by chemical ionization mass spectrometry using ammonia and trideuterioammonia as reagent gases is described. The method is based on exchange of active hydrogen for deuterium occurring during the chemical ionization process using trideuterioammonia, with comparison of m/z for ammonium adduct [M + NH1]+ and trideuterioammonium adduct [M--nH + nD + ND4]+, or of protonated molecular ion [M + H]+ and deuteronated molecular ion [M--nH + nD + D]+ yielding the number of active hydrogens. Applications have been made to several classes of biologically important compounds. PMID:427257
Abstract One of the most significant problems in industrial bioprocessing of recombinant proteins using engineered mammalian cells is the phenomenon of cell line instability, where a production cell line suffers a loss of specific productivity (qP). This phenomenon occurs with unpredictable kinetics and has been widely observed in Chinese hamster ovary (CHO) cell lines and with all commonly used gene expression systems. The underlying causes (both genetic and physiological) and the precise molecular mechanisms underpinning cell line instability have yet to be fully elucidated, although recombinant gene silencing and loss of recombinant gene copies have been shown to cause qP loss. In this work we have investigated the molecular mechanisms underpinning qP instability over long-term sub-cult...