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...
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 ...
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 ...
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 ...
Recent molecular characterizations of Cryptosporidium parasites make it possible to differentiate the human-pathogenic Cryptosporidium parasites from those that do...Full Text Available
A new gadolinium chelating NIR fluorescent molecular probe increases T1 relaxivity of water protons, facilitating combined optical and magnetic resonance imaging.
Changing the direction of the line of sight is essential for the visual exploration of our environment. When the head does not move, re-orientation of the visual axis is accomplished with high...Full Text Available
Large rigid-body domain movements are critical to GroEL-mediated protein folding, especially apical domain elevation and twist associated with the formation of a folding chamber upon binding ATP and co-chaperonin GroES. Here, we have modeled the anisotropic displacements of GroEL domains from various crystallized states, unliganded GroEL, ATP?S-bound, ADP-AlFx/GroES-bound, and ADP/GroES bound, using translation-libration-screw (TLS) analysis. Remarkably, the TLS results show that the inherent motions of unliganded GroEL, a polypeptide-accepting state, are biased along the transition pathway that leads to the folding-active state. In the ADP-AlFx/GroES-bound folding-active state the dynamic modes of the apical domains become reoriented and coupled to the motions of bound GroES. The ADP/GroES complex exhibits these same motions, but they are increased in magnitude, potentially reflecting the decreased stability of the complex after nucleotide hydrolysis. Our results ...
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...
The chemistries of reactants, plasticizers, solvents and additives in an epoxy paint are discussed. Polyamide additives may play an important role in the absorption of molecular iodine by epoxy paints. It is recommended that the unsaturation of the polyamide additive in the epoxy cure be determined. Experimental studies of water absorption by epoxy resins are discussed. These studies show that absorption can disrupt hydrogen bonds among segments of the polymers and cause swelling of the polymer. The water absorption increases the diffusion coefficient of water within the polymer. Permanent damage to the polymer can result if water causes hydrolysis of ether linkages. Water desorption studies are recommended to ascertain how water absorption affects epoxy paint.
The formation of mammalian secondary palate requires a series of developmental events such as growth, elevation and fusion. Despite recent advances in the field of palate development, the process...Full Text Available
The production of water from a subterranean formation is reduced by contacting the formation with a water dispersible hydrophilic organic polymer having a molecular weight greater than 100,000 and containing carboxyl functionality and a crosslinking composition comprising water, a zirconium compound having a value of 4+, an alpha-hydroxy acid and an amine compound.
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
The model compounds, 8-methoxypsoralen-CH_2O(CH_2)_n-adenine (MOPCH_2OC_nAd, n=2,3,5,6,8, and 10) in which 5 position of 8-methoxypsoralen (8-MOP) is linked by various lengths of polymethylene bridge to N"9 of adenine. UV absorption spectra are identical with the sum of MOPCH_2OC3 and adenine absorption spectra. Solvent effect on the UV absorption and fluorescence emission spectra indicate that the lowest excited singlet state is the (#pi##->##pi#"*) state. The spectral characteristics of the fluorescence of MOPCH_2OC_nAd are strongly dependent upon the nature of the solvents. The fluorescence emission spectra in aprotic solvents are broad and structrueless due to the excimer formation through the folded conformation accelerated by hydrophobic #pi#-#pi# stacking interaction. Increasing polarity of the protic solvents leads to higher population of unfolded conformation stabilized through favorable solvation and H-bonding, and consequently to an increase in the fluorescence intensity, ...
In this paper we review and classify the various patterns of isosteric heat versus loading for adsorption of gases on graphitised thermal carbon black at temperatures ranging from below the 3D triple point to temperatures above it, but less than the 3D critical point. We have identified the features of heat curve and highlighted the microscopic origin of these features. The patterns vary with temperature and with the relative strength of the fluid-fluid interaction and solid-fluid interaction. For simple adsorptives (by simple we meant there is no strong association between fluid particles), the heat curve is typified by fluid-fluid attraction and layering phenomena. For adsorptives showing strong association such as water, ammonia and methanol, the heat curve essentially begins below the condensation heat and then approaches it as loading is increased. This is mainly due to the strong hydrogen bonding in these fluids. A third group includes adsorptives such as ...
The solvation properties of a chlorine ion in small water clusters are investigated using state-of-the-art statistical mechanics. The simulations employ the polarizable water model developed recently by Dang [J. Chem. Phys. [bold 97], 2659 (1992)]. The ion--water interaction potentials are defined such that the successive binding energies for the ionic clusters, and the solvation enthalpy, bulk vertical binding energy, and structural properties of the aqueous solution agree with the best available results obtained from experiments. Simulated vertical electron binding energies of the ionic clusters Cl[sup [minus
A collection of ten strains of Vibrio cholerae O139, comprising six isolates from Eichhornia crassipes, two from water of the River Ganga, and one each from a well...Full Text Available
The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...
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 ...
This process for the preparation of nonaqueous dispersions of water-soluble polymerisates concerns compounds obtained by polymerization of water-soluble unsaturated ethylenic monomers in an emulsion of water in oil. The product is then dewatered to a maximum residual water content of 5% by means of microwaves. The process is azeotropic. The polymer has a molecular weight between 100,000 and 50,000,000, preferably between one and 10 million. Before treating with microwaves, the mixture is concentrated by conventional means until it has a polymer concentration between 20 and 65%, preferably between 40 and 60%. The microwaves have a wavelength between 0.1 and 30 cm. These polymer dispersions can be used in drilling fluids and as additives in tertiary oil recovery. 4 claims.
This paper elucidates the effect of humectant performance on the wettability of the skin. Humectants are divided into the organic compounds, such as polyols, the organometallic compounds, such as sodium lactate and pyrolidone sodium carboxylate, and the water soluble high molecular compounds, such as polyethylene glycol and hyaluronic acid. Firstly, hygroscopic performances and characteristics of various hcmectants are illustrated. Then, the humectant performance of the skin and relation between amino acid in the horny layer and moisture content are described. The humectant performance possessed in the intercellular lipid of horny layer is also described. Furthermore, are explained the wettability of the skin by cosmetics and the role of humectant as an emulsifying assistant. A mechanism of the dry skin, improvement effect of the skin by humectants, and combining effect of the humectants are presented. Are also presented the nonaqueous ...
Polyethylene pipes and connections are being widely used in treated water distribution services. Migration of low molecular weight compounds from the polyethylene into the water can change its final quality. This paper is about the concentrations and identification of the migration compounds found in treated water after staying in contact with low and high-density polyethylene. Identification and quantification were carried out using CLSA (Closed Loop Stripping Analysis) extraction technique and gas chromatography coupled to mass spectrometry (HRGC/HRMS). (Author) 12 refs.
An effect of laser-cooling of water was observed for the first time with a temperature decrease dT = -2.2 K after irradiation of liquid water surface by a powerful Ar-Xe pulse laser with a pulse energy of about 1 J and wavelength L = 1.73, 2.63 and 2.65 um. The discovered effect can apparently be ascribed to the optical excitation of vibrational states of H2O molecules followed by an endothermic consolidation of chemically active excited molecules into a quasi-stable cluster-like structure. The measured time dependences of the cooling effect show that a typical life time of the new state of water amounts to hours. It has also been shown that the life time of the excited vibrational molecular states due to a radiation trapping effect can be estimated to at least hundreds of seconds.
This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...
We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with experiment. The results provide quantitative ...
Classical molecular dynamics simulations are carried out to investigate the salvation shell exchange kinetics of potassium ion in bulk water, chloroform, and carbon tetrachloride. The reactive flux method is used to compute the dissociation rates. The influence of the solvent on the reaction rates and kinetic properties of this exchange process will be discussed. Comparison will be also be made to the prediction of the Grote-Hynes theory.
A pulsed field gradient spin echo sequence has been incorporated in a nuclear magnetic resonance (NMR) imaging experiment to provide an image contrast dependent on local molecular self-diffusion. The...Full Text Available
Projected scenarios for the proposed Yucca Mountain repository include significant periods of time when high relative humidity atmospheres will be present, thus the reaction processes of interest will include those known to occur under these conditions. The ideal natural analog for the proposed Yucca Mountain repository would consist of natural borosilicate glasses exposed to expected repository conditions for thousands of years; however, the prospects for identifying such an analog are remote, but an important caveat for using natural analog studies is to relate the reaction processes in the analog to those in the system of interest, rather than a strict comparison of the glass compositions. In lieu of this, identifying natural glasses that have reacted via reaction processes expected in the repository is the most attractive option. The goal of this study is to quantify molecularwater diffusion in the natural analogs obsidian and tektites. ...
A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello ...
A study of the ordinary mild steel/cooling water interface, with and without inhibitor, was carried out using electrochemical impedance spectroscopy (EIS). EIS spectra in uninhibited medium reveal that a layer of corrosion and scale products is formed naturally and evolves with the immersion time. Monosaccharides derivatives were used as corrosion inhibitors. Most of them exhibit good behaviour against corrosion of ordinary steel in simulated water systems. Their inhibiting efficiency increases with concentration rise and depends on molecular structure especially -OH groups' position on two adjacent carbons and their number. In addition, the effect of MoO4^2^- on the corrosion inhibition in the presence of the best inhibitor was also studied by EIS. The addition of MoO4^2^- enhanced the in...
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, ...
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.)
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 ...
Access for independents to retail gas markets was a central concern in European policy reform efforts in the 1990s. Upstream oil and gas companies reacted with strategic intentions of forward integration. By late 2004, forward integration was still weak, however. An important explanation of the gap between announced strategic re-orientation and actual strategy implementation lies in the political failure of EU member states to dismantle market barriers to entry for independents. Variations between companies in downstream strategy implementation are explained by variations in business opportunities and internal company factors.
The interfacial tension g of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) and 1H,1H,2H,2H-perfluorododecanol (TFC12OH) mixture against water was measured as a function of the total molality m and composition of TFC12OH in the mixture X2 at 298.15K under atmospheric pressure. The interfacial pressure p vs. mean area per adsorbed molecule A curves and the phase diagram of adsorption (PDA) were constructed in order to shed light on the effect of the molecular orientation on the state of and the miscibility of FC10diol and TFC12OH in the adsorbed film. The p vs. A curves demonstrated that the mixed system exhibits three kinds of film states, parallel-condensed, normal-condensed, and multilayer states, depending on m and X2. The PDA indicated that film composition X...
Capsulation of terbium(III) chloride in porous glass in the amount of 1.5-150 #mu#mole g"-"1 was carried out by impregnation of the glass substrate with variable concentrations of the salt aqueous solutions. Maximum luminosity of terbium(III) chloride in porous glass is found at its concentration of 120 #mu#mole g"-"1, that is close to the corresponding monolayer surface filling. Concentration dependences of terbium(III) luminescence and its quenching by adsorbed water are in agreement with the ideas of molecular fragmentation and uniform distribution of capsulated salt on the substrate surface
This patent describes an aqueous clay containing drilling fluid having present in an amount sufficient to reduce fluid loss of the drilling fluid, a copolymer of (1) from about 80% to about 98% by weight of acrylic acid and (2) from about 2% to about 20% by weight of itaconic acid. The copolymer has a weight average molecular weight of between about 50,000 to about 1,000,000, being in its free acid or partially or completely neutralized salt form and being at least water dispersible.
The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...
Mon R2, at a distance of 830 pc, is the only ultracompact HII region (UC HII) where the photon-dominated region (PDR) between the ionized gas and the molecular cloud can be resolved with Herschel. HIFI observations of the abundant compounds 13CO, C18O, o-H2-18O, HCO+, CS, CH, and NH have been used to derive the physical and chemical conditions in the PDR, in particular the water abundance. The 13CO, C18O, o-H2-18O, HCO+ and CS observations are well described assuming that the emission is coming from a dense (n=5E6 cm-3, N(H2)>1E22 cm-2) layer of molecular gas around the UC HII. Based on our o-H2-18O observations, we estimate an o-H2O abundance of ~2E-8. This is the average ortho-water abundance in the PDR. Additional H2-18O and/or water lines are required to derive the water abundance profile. A lower density envelope (n~1E5 cm-3, N(H2)=2-5E22 cm-2) is ...
Products having balanced melting point and decomposition temperature have been developed by employing nylon 6T fundamental molecular structure and selected copolymer components, Arlen being one of the products. It has heat resistance as good as that of super-engineering plastics, low water absorption, and excellent cost-performance which can be used for normal injection molding machines. The unit price per kilogram is low when its high heat resistance is taken into consideration. The coefficient of water absorption is as low as about 1/3 of that of nylon 66, and it can be considered to be a low water absorbing amide. The molding temperature is from 320[degree]C to 350[degree]C, the decomposition temperature is 395[degree]C at 2% weight decreasing temperature, and normal injection molding can be employed. It has excellent soldering resistance, high temperature rigidity, dimensional stability, ...
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 .....
Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the ...
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 ...
Several thin film composite nanofiltration membranes have been prepared by spin coating a sulfonated poly(ether ether ketone) solution on a polyethersulfone support, followed by thermal treatment. The most optimal developed nanofiltration membrane shows a clean water permeance of ~4.5Lm^-^2h^-^1bar^-^1 and a molecular weight cut off (MWCO) of ~500gmol^-^1. No irreversible changes in membrane performance have been observed after prolonged exposure (up to several weeks) of this membrane to solutions with a pH in the range 0-14. Compared to Desal-5-DK, the developed membrane displays a similar water permeance and a higher NaCl retention. In comparison to commercially available pH stable membranes, MPF-34 and NP030P, it reveals a higher water permeance. Permeance and MWCO analysis at varying p...
Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Starting from structures calculated by the program CYANA, two different ...
Decommissioning of radiological and nuclear installations is for this century the new challenge. One of the performance criteria is the reduction of total quantities of radioactive materials (liquid or solid) arising from dismantling and decontamination of radiological and nuclear installations. In this work we present a new application of the water soluble polymers used as: - flocculation agents in treatment and conditioning process within the management of radioactive liquid materials; - strippable coatings on solid materials based on the water soluble polymers. The parameters of water soluble polymers made in our Institute by radiation processing have been analysed, namely the molecular average weight, composition, and efficiency of utilization of these polymeric materials as well as the content of ash, additives, decontamination factor, consumption per surfaces/liter, corrosion aspects, ...
Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the ...
This invention is a manufacturing method of a metal-hydrogen alkali battery cell consisting of a positive electrode of metal oxides, alkaline electrolyte solution and a separator containing an amide-radical, wherein the above treating solution is aqueous solution of KOH (or NaOH) which is heated at least at 40 centigrade and the separator is first immersiion-treated and then water-washed and dried. The amide-radical-containing separaator uses a nylon non-woven fabrics. Average molecular weight of nylon 66 is 12,000 - 20,000. In this invention, in order to improve the storage ability and the cycle characteristics which are caused by corrosion of a separator which takes place in the cell after its assembly, the separator is immersed in a hot alkali in order to obtain a non-woven fabric of nylon 66 consisting of alkali-stable high molecular weight portion, which is assembled into a battery. By this, the dissolving of the ...
The infrared spectrum of the rotovibrational band {ital v}=0{r_arrow}2 of parahydrogen has been observed in the condensed phases down to {ital T}=2 K. In the solid, phonon and roton sidebands exhibit peaks corresponding to those observed in the fundamental. Contributions arising from the reorientation of ortho-H{sub 2} impurities have been detected. The {ital Q}{sub 1}(0)+{ital S}{sub 1}(0) band has been resolved into an asymmetric doublet, and the origin of this latter is discussed. In the liquid phase the observed line shapes include strong translational contributions, and are accounted for by assuming that at short times the excited molecule is encapsulated in the cage of nearest neighbors.
Electrical resistivity of Nd{sub 7}Ni{sub 3} shows anomalies at the Neel temperature T{sub N} = 29 K and the Curie temperature T{sub C} = 14 K but does not show any change at the spin reorientation temperature T{sub R} = 8.7 K. The thermoelectric power has also bro[ humps around 250 and 50 K as well as a sharp break at T{sub N} and a minimum at 10 K. The corresponding Hall coefficient shows anomalies at T{sub N}, T{sub C} and T{sub R}, following the Curie-Weiss-law-like behavior above T{sub N}. (orig.) 7 refs.
X-Ray reflectivity has been used to investigate the microstructural changes of solution-cast stearic acid films before and after immersion in CoCl{sub 2} solutions. Before immersion, the films possess a well-defined layered structure with an interlayer spacing of 4.01{+-}0.05 nm. After the films were immersed in the CoCl{sub 2} solutions, a new set of equidistant diffraction peaks emerge, the corresponding interlayer spacing of which is 5.13{+-}0.05 nm. The X-ray photoelectron spectra of the films indicate the existence of cobalt ions inside the films after immersion. It is concluded that the permeation of the cobalt ions into the hydrophilic interlayer causes the stearic acid molecules to reorient perpendicular to the films, resulting in the increase of interlayer spacing and the roughening of the interfaces.
Cerium L_3 XANES (x-ray-absorption near-edge-structure) spectra were analyzed to separate Ce moment contributions and mixed valence (MV) in complex magnetic silicides CePd_2_-_xMn_xSi_2 (0#<=#x#<=#2). The Ce valence mixing does not vary linearly with x, but increases rapidly for x#>=#1.5. The associated moment collapse correlates with pronounced deviations of the unit-cell volume from Vegard law and the onset of structural instability. Reorientation of [001] Mn 3d antiferromagnetic order for x<2 appears to rapidly suppress the weak Ce valence mixing coexisting with antiferromagnetic order in CeMn_2Si_2.
Full text of publication follows: Slightly over-stoichiometric lithium orthosilicate pebbles have been selected as one optional breeder material for the European Helium Cooled Pebble Bed (HCPB) blanket. This material has been developed in collaboration of Research Center Karlsruhe and the Schott Glass, Mainz. The lithium orthosilicate pebbles are fabricated from lithium hydroxide and silica by a melting and spraying method in a semi-industrial scale facility. Lithium hydroxide was selected as the precursor since enriched lithium hydroxide is commercially available. The lithium orthosilicate pebbles produced by the process contains oxide phases besides orthosilicate, but it was also found that the oxide phases can be decomposed by annealing at high temperatures. The lithium orthosilicate pebbles produced in this way possesses satisfactory pebble characteristics. Therefore, the authors performed out-of-pile annealing tests using the lithium orthosilicate pebbles irradiated in a research ...
Microwave assisted extraction (MAE) is a combination of a microwave technique and conventional solvent extraction used in the modernization of traditional Chinese medicine. The effective component of medicinal herbs is mostly cellular material which can be released via solvent extraction. The material is diffused to solvents via the porous membrane wall. The structure of herb morphology and characteristics of the solute's molecular weight play an important role in the extraction process of target compounds. Astragalus pieces were chosen for this study in which an ultra-filtration membrane method was used to determine the molecular weight distribution characteristics of Astragalus water extraction liquid in the process of MAE. The fine structure of matrix materials was also characterized by scanning election microscopy (SEM). The phenomenon of mass flow and mass transfer in the plant porous media was discussed along ...
Findings indicate an urgent need to establish a monitoring program for persistent organic pollutants in water and sediment. - Marine culture is thriving in China and represents a major component of the regional economy in coastal zones, yet the environmental quality of many of those areas has never been studied. This paper attempts to investigate the quality status of Daya Bay, a key aquaculture area in China. The levels of 16 polycyclic aromatic hydrocarbons (PAHs) were determined in water and sediment samples of the bay. The total concentrations of 16 PAHs varied from 4228 to 29325 ng l"-"1 in water, and from 115 to 1134 ng g"-"1 dry weight in sediments. In comparison to many other marine systems studied, the PAH levels in Daya Bay waters were relatively high, and at six sites they were sufficiently high (>10 #mu#g l"-"1) to cause acute toxicity. The PAH composition pattern in sediments suggest ...
Summary The objective of this study was to examine the role of root carbohydrate levels and metabolism in the waterlogging tolerance of contrasting mung bean genotypes. An experiment was conducted with two cultivated mung bean (Vigna radiata) genotypes viz., T44 (tolerant) and Pusa Baisakhi (PB) (susceptible), and a wild Vigna species Vigna luteola under pot-culture to study the physiological and molecular mechanism of waterlogging tolerance. Waterlogging resulted in decrease in relative water content (RWC), membrane stability index (MSI) in root and leaf tissues, and chlorophyll (Chl) content in leaves, while the Chl a/b ratio increased. Waterlogging-induced decline in RWC, MSI, Chl and increase in Chl a/b ratio was greater in PB than V. luteola and T44. Waterlogging caused decline in tot...
The effect of sodium on the partial oxidation of methane over MoO{sub 3}-SiO{sub 2} in the presence of molecular oxygen has been investigated. As in the sodium-free case, the major products are formaldehyde, carbon monoxide, carbon dioxide, and water. Kinetic analysis indicates that methane is directly oxidized to formaldehyde and carbon dioxide. Formaldehyde is oxidized to carbon monoxide, which is itself further oxidized, providing an alternative route to carbon dioxide. The kinetic model shows that sodium poisons the direct oxidation of methane to formaldehyde and carbon dioxide, but promotes the oxidation of formaldehyde and carbon monoxide. Model predictions of rates and selectivities are in good agreement with the experimental data. A mechanism that explains both the poisoning and promotion effects of sodium on MoO{sub 3}-SiO{sub 2} is proposed.
In order to investigate the antioxidant properties of the polysaccharides from the brown alga Sargassum fusiforme, the crude polysaccharides from S. fusiforme (SFPS) were extracted in hot water, and the lipid peroxidation inhibition assay exhibited that SFPS possessed a potential antioxidant activity. Hence, two purely polymeric fractions, SFPS-1 and SFPS-2 were isolated by the column of DEAE (2-diethylaminoethanol)-Sepharose Fast Flow, with their molecular weights of 51.4 and 30.3 kDa determined by high performance gel permeation chromatography (HPGPC). They were preliminarily characterized using chemical analysis in combination of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and found to contain large amounts of uronic acids and ?-glycosidical linkages. The antioxida...
In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).
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...
White spot syndrome virus (WSSV) is the causative agent of the white spot disease of shrimp. Penaeus monodon were captured from Muttukadu Estuary in Chennai, India, transported to the laboratory and maintained in an aerated system with continuous water circulation-biofiltration. WSSV-free P. monodon were challenged by feeding them only once with WSSV-infected tissues of P. monodon. Cumulative mortality (100%) of the infected individuals was determined. Tissues from infected and uninfected shrimp such as muscles, hepatopancreas, heart, gills and eye tissues (100mg of each) and haemolymph (50 microl) were subjected to SDS-PAGE. In infected muscle tissue, six newly expressed proteins were detected. In infected haemolymph, four new proteins and three intensely expressed high molecular weight proteins were observed. Three intensely expressed high molecular weight proteins were detected in infected heart tissue and two new ...
We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with ...
The thickness dependent magnetic properties of artificially prepared ultrathin body-centered cubic Ni films have been explored using the all electron full potential linearized augmented plane wave (FLAPW) method. We have considered two types of BCC Ni(001) films: (i) pure BCC Ni(001) and (ii) Au capped BCC Ni(001) in the range from 1 monolayer (ML) to 4 ML of Au capping coverage. The average magnetic moment of pure BCC Ni(001) is about 0.63 #mu#_B and a typical surface enhancement is found with a magnetic moment of 0.78 #mu#_B. In the presence of an Au capping layer, the magnetic moment of interface Ni is strongly suppressed to approximately 0.5 #mu#_B and this causes a reduction of average magnetic moment. Nevertheless, the Au adlayer has no meaningful induced magnetic moment. The BCC pure Ni(001) films always have in-plane magnetization up to 11 ML, but very interestingly the Au/Ni(001) shows a thickness dependent spin reorientation transition (SRT) from in-plane ...
The phenomenology of wire chamber aging is discussed and fundamentals of proportional counters are presented. Free-radical polymerization and plasma polymerization are discussed. The chemistry of wire aging is reviewed. Similarities between wire chamber plasma (>1 atm dc-discharge) and low-pressure rf-discharge plasmas, which have been more widely studied, are suggested. Construction and use of a system to allow study of the plasma reactions occurring in wire chambers is reported. A proportional tube irradiated by an {sup 55}Fe source is used as a model wire chamber. Condensable species in the proportional tube effluent are concentrated in a cryotrap and analyzed by gas chromatography/mass spectrometry. Several different wire chamber gases (methane, argon/methane, ethane, argon/ethane, propane, argon/isobutane) are tested and their reaction products qualitatively identified. For all gases tested except those containing methane, use of hygroscopic filters to remove trace ...
A tertiary structure of recombinant A22^G-B31^K-B32^R-human insulin monomer (insulin GKR) has been characterized by ^1H, ^1^3C NMR at natural isotopic abundance using NOESY, TOCSY, ^1H/^1^3C-GHSQC, and ^1H/^1^3C-GHSQC-TOCSY spectra. Translational diffusion studies indicate the monomer structure in water/acetonitrile (65/35vol.%). CSI analysis confirms existence of secondary structure motifs present in human insulin standard (HIS). Both techniques allow to establish that in this solvent recombinant insulin GKR exists as a monomer. Starting from structures calculated by the program CYANA, two different refinement protocols used molecular dynamics simulated annealing with the program AMBER; in vacuum (AMBER_VC), and including a generalized Born solvent model (AMBER_GB). From these calculation...
Diffusion magnetic resonance imaging (MRI) has become an important tool in the radiologic diagnosis of diseases of the brain as it measures molecular motion of water that characterizes the microstructure of tissues. Its most important clinical use to date is the early detection of cerebral ischemia by revealing the ischemic injury shortly after vessel occlusion and simultaneously providing therapy-relevant information on the tissue at risk. Furthermore, diffusion MRI is diagnostically promising in other diseases of the brain and is thus increasingly becoming part of routine clinical protocols in the diagnosis of tumors, inflammation, trauma, demyelination, dysmyelination and neurodegeneration. Although abnormalities of diffusion are generally not pathognomonic, diffusion MRI affords information about tissue changes for specific disorders that complements information obtained with standard MR techniques and frequently shows pathology earlier. In ...
A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecular sieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux ...
Fingerprinting of Penicillium crustosum strains was performed using different phenotypic characteristics. Seven strains of this extremely homogenous species were selected; of these, five originated from geographical locations characterized by low temperatures, and one from a location with a low water activity. Principal component analysis (PCA) was performed using micromorphological data, temperature- and water-dependent growth rates, and extrolite profiles obtained by HPLC analysis. The micromorphological data were less informative, while the growth-rate data were informative only if the strains investigated already showed slight adaptations to the selected external parameter. In contrast, PCA analyses of the extrolite data showed groupings of the strains according to their origins and known physiological differences. These groupings are in full agreement with the clustering obtained by previous amplified fragment length polymorphism (AFLP) ...
During this project we experimentally evaluated the below-ground biomass and carbon allocation and partitioning of four different fast- and slow-growing families of loblolly pine located in Scotland County, NC, in an effort to increase the long-term performance of the crop. The trees were subjected to optimal nutrition and control since planting in 1993. Destructive harvests in 1998 and 2000 were used for whole?plant biomass estimates and to identify possible family differences in carbon acquisition (photosynthesis) and water use efficiency. At regular intervals throughout each year we sampled tissues for carbohydrate analyses to assess differences in whole-tree carbon storage. Mini rhizotron observation tubes were installed to monitor root system production and turnover. Stable isotope analysis was used to examine possible functional differences in water and nutrient acquisition of root systems between the various families. A genetic ...
The progress of laboratory studies on the removal of NO/sub x/ and SO/sub 2/ with zeolite molecular sieves is reported. The trademark of these zeolite molecular sieves is Zeolon. (LK)
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
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
Clean Water Act You are here: Water Laws & Regulations Policy & Guidance Clean Water Act Water Quality and 401 Certification Water Quality and 401 Certification Water Quality...
This report describes the state of the art of electric energy storage technologies and discusses how adding intermittent renewable energy technologies (IRETs) to a utility network affects the benefits from storage dispatch. Load leveling was the mode of storage dispatch examined in the study. However, the report recommended that other modes be examined in the future for kilowatt and kilowatt-hour optimization of storage. The motivation to install storage with IRET generation can arise from two considerations: reliability and enhancement of the value of energy. Because adding storage increases cost, reliability-related storage is attractive only if the accruing benefits exceed the cost of storage installation. The study revealed that the operation of storage should not be guided by the output of the IRET but rather by system marginal costs. Consequently, in planning studies to quantify benefits, storage should not be considered as an entity belonging to the system and not as a component ...
The deregulation of the power industry having been implemented at unparalleled pace in Germany, the marketers and utility managers have been faced with the challenge of coping within relatively short time with the whole range of problems involved in restructurisation in the emerging competitive and very dynamic market. The article summarizes the activities for reorientation and positioning in the market, laying the foundation for success in the future. The communication and IT infrastructure is a major aspect to be considered. The authors explain how the German power industry may profit from international experience and results, so as to gain time in pulling up with competitors in the international marketplace. (orig./CB) [German] Die Liberalisierung der deutschen Stromwirtschaft kann im internationalen Vergleich als einzigartig sowohl hinsichtlich ihrer Breite als auch ihrer Geschwindigkeit - volle Marktoeffnung fuer alle Kunden auf einen Schlag - angesehen ...
We report the observation of quantum interference in superfluid 4He. The interferometer, an analog of a dc-superconducting quantum interference device (SQUID), employs a recently reported phenomenon wherein superfluid 4He exhibits Josephson frequency oscillations in an array of submicron apertures. An interference pattern is generated by reorienting the loop of the superfluid 'SQUID' with respect to the Earth's rotation vector, thereby varying the rotation flux in the loop. The experiment is performed at 2 K, a temperature 2000 times higher than previously achieved with superfluid 3He. We find that the interference exists not only when the aperture array current-phase relation is a sinusoidal function characteristic of the Josephson effect, but also at lower temperatures where it is linear and oscillations occur by phase slips. The modest requirements for the interferometer (2 K cryogenics and fabrication of apertures at the level of 100 nm) and its potential ...
Lithium ammonium sulfate (LAS) undergoes a phase transition at Tsub(c1) = 459.5deg K from a paraelectric phase (phase 1) to a ferroelectric phase (phase II) and again at Tsub(c2) = 283deg K to a polar ferroelastic phase (phase III). Proton spin lattice relaxation investigations in the temperature range 480-77deg K at 10 MHz show discontinuous changes in Tsub(1) at the transition temperatures, indicating first order phase transitions. The absence of the slow motion region (#omega#sub(not)tausub(not)>>1) shows that the ammonium ions are reorienting fast enough to keep the resonance absorption line narrow down to liquid nitrogen temperatures. The possibility of a second minimum and a low activation energy, Esub(a) = 2.659 kcal/mole, in phase III suggest the possibility of tunnelling of the protons at low temperatures. The nature of the transitions have been discussed in the light of the available literature. The unusually high activation energy, Esub(a) = 17.845 ...
The microstructural development inside the stress induced martensite (SIM) variants in Ti-Ni-Nb alloy with various degrees of deformation have been revealed by electron microscopic observations. The orientation relationship between the SIM and the parent phase has been found: [1{bar 1}0]{sub M}{parallel}[11{bar 1}]{sub B2}, (001){sub M} 5{degree} away from (101){sub B2}. The lattice invariant shear of the SIM variants at the slightly deformed stage is dominantly (11{bar 1}) Type I twin. Besides the ordinary slip, the adjustment and development of the internal secondary twinning from (11{bar 1}) Type I twin to {l_angle}011{r_angle} Type II/ or (011) Type I twin, (001)compound twin and (111) Type I twin happen concurrently or in combination inside the SIM variants with the further deformation. The corresponding deformation mechanisms include stress induced reorientation of SIM substructural bands by the most favorably oriented twin system, stress induced migration of ...
Using electron spin resonance, lattice position and dynamic properties of Mn2+ ions were studied in 0.5 and 2 % manganese doped SrTiO3 ceramics prepared by conventional mixed oxide method. The measurements showed that Mn2+ ions substitute preferably up to 97 % for Sr if the ceramics is prepared with a deficit of Sr ions. Motional narrowing of the Mn2+ ESR spectrum was observed when temperature increases from 120 K to 240-250 K that was explained as a manifestation of off-center position of this ion at the Sr site. From the analysis of the ESR spectra the activation energy Ea = 86 mV and frequency factor 1/?0 ? (2-10)x10^(-14) 1/s for jumping of the impurity between symmetrical off-center positions were determined. Both values are in agreement with those derived previously from dielectric relaxation. This proves the origin of dielectric anomalies in SrTiO3:Mn as those produced by the reorientation dynamics of Mn2+ dipoles.
...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 ...
The ecological success of shallow-water reef-building corals (Hexacorallia: Scleractinia) is framed by their intimate endosymbiosis with photosynthetic dinoflagellates in the genus Symbiodinium (zooxanthellae). In contrast, the closely related black corals (Hexacorallia: Anthipatharia) are described as azooxanthellate (lacking Symbiodinium), a trait thought to reflect their preference for low-light environments that do not support photosynthesis. We examined 14 antipatharian species collected between 10 and 396 m from Hawai'i and Johnston Atoll for the presence of Symbiodinium using molecular typing and histology. Symbiodinium internal transcribed spacer-2 (ITS-2) region sequences were retrieved from 43 per cent of the antipatharian samples and 71 per cent of the examined species, and across the entire depth range. The ITS-2 sequences were identical or very similar to those commonly found in shallow-water scleractinian ...
Organic materials released from energy-related activities could affect human health and the environment. To better assess possible impacts, we developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The computer programs use compartmental analysis to simulate aquatic ecosystems. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The APM will consider any aquatic pathway for which the user has transport data. Additionally, APM will estimate transport rates from physical and chemical properties of chemicals between several key compartments. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with ...
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 molecular sieves on conversion to the desired product are described. However, careful control of the amount of molecular sieves used is required. This fact is a consequence of two opposing effects of this material: i.e. adsorption of both lactic acid and water ...
Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV?Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl2?2H2O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl?...
The search for alternative energy supplies continues since the oil crisis of 1973. One energy vector is dihydrogen, H_2. Of the group VI hydrides, water has been the focus of most studies in harnessing solar energy and generating H_2. Two basic photochemical strategies have been employed: molecular photocatalytic systems, and semiconductor based photocatalytic systems. The results have not met with the euphoric expectations of the mid-1970's because of the difficulties encountered in H_2O splitting (E"0 S"2 "-/S = + 0.51 eV, NHE) is another vehicle tapped as a potential source of H_2. Heterogeneous photocatalysis utilizing semiconductor particulates and sunlight as the photon source has been successful with interesting quantum efficiencies. To this end, novel photocatalytic devices have been developed; one of these uses two coupled semiconductors to achieve vectorial displacement of the photogenerated reducing and oxidizing equivalents. An ...
A new class of hybrid organic-inorganic materials, and methods of synthesis, that can be used as a proton exchange membrane in a direct methanol fuel cell. In contrast with Nafion.RTM. PEM materials, which have random sulfonation, the new class of materials have ordered sulfonation achieved through self-assembly of alternating polyimide segments of different molecular weights comprising, for example, highly sulfonated hydrophilic PDA-DASA polyimide segment alternating with an unsulfonated hydrophobic 6FDA-DAS polyimide segment. An inorganic phase, e.g., 0.5 5 wt % TEOS, can be incorporated in the sulfonated polyimide copolymer to further improve its properties. The new materials exhibit reduced swelling when exposed to water, increased thermal stability, and decreased O.sub.2 and H.sub.2 gas permeability, while retaining proton conductivities similar to Nafion.RTM.. These improved properties may allow direct methanol fuel cells to operate at ...
A versatile, high brightness, volume type, low power RF source, capable of producing positive ion beams with intensities as high as 1 mA from gaseous feed materials and microamperes of negative ion beams has been characterized. The source can also be operated as a plasma sputter negative ion source to generate up to 1 mA of a selected species. The performance of the source in the positive and negative volume modes of operation can be greatly enhanced by addition of a removable, water cooled filament assembly in place of the negative sputter probe. For examine, the material utilization efficiencies of gaseous feed species can be more than doubled, total current intensities increased up to 40%, molecular dissociation fractions increased by 20% and minimum operating pressures reduced by a factor of four when operated in the volume mode. These added electrons also favorably effect, as a consequence of lower pressures, the emittance apparently ...
Recent progress in the metallic conducting Langmuir-Blodgett (LB) films built from TTF derivative and fatty acids is reported. A simple LB method of transferring the mixed Langmuir (L) film of BEDO-TTF (BO) and stearic acid (SA) onto substrates provided metallic conducting LB films. A homogeneous L film formation on the water surface observed by Brewster angle microscope (BAM) is an essential factor for the well-ordered LB films. In the L film, the carboxylate group of fatty acid forms anion layer bringing about a spontaneous formation of mixed valence state (MVS) of BO layer. Similar spontaneous formation was also found in the molecular combination of nonoxygen-substituted donor of EDT-TTF and octadecanesulfonic acid (OS). This type of reaction would be useful for obtaining conducting LB films. For the LB films of BEDO-TTF and stearic acid, we found a negative transverse magnetoresistance at low temperature that was interpreted in the weak ...
We report on the detection of SiO and water masers toward a newly found bipolar nebula, IRAS 19312+1950. This object exhibits extreme red IRAS color log (F25/F12)=0.5 and log (F60/F25)=0.7 and a nebulosity having a size of about 30" extended to the South-West in the 2MASS near-infrared image. Toward this object, we have detected emission from the H2O 6(1,6)-5(2,3) transition, the SiO J=1-0, v=1 and 2, and J=2-1, v=1 transitions, and the SO 2(2)--1(1) and H13CN J=1-0 transitions. The thermal lines of SO and H13CN are shifted by about 12 km/s in radial velocity with respect to the maser lines, indicating that thermal emission comes from the background molecular cloud. However, the SiO J=2-1, v=2 spectrum shows another component of SiO emission separated by 26 km/s from the main component, that might be formed in a rotating or expanding shell.
Introduced herein is microwave irradiation for the adsorption and desorption of environmental pollutants. Microwaves may be used in two ways, other than through elevation of temperature of a system as a whole with the adsorbent such as activated carbon serving as the heating medium. The first is the application by which desorption is caused to take place of specified molecules. For example, zeolite that has adsorbed water is regenerated when it is irradiated with microwaves in a stream of cooling gas. This is because only the moisture is heated since zeolite is a non-carbon adsorbent that absorbs microwaves but a little. Another case is reported in which microwaves are utilized to desorb H2S, H2O, CO, etc., from molecular sieves. In the second application, coexisting materials different in absorptivity are exposed to irradiation. The adsorption of microwave-absorbent materials is inhibited while that of the others is accelerated. For example, ...
ObjectivesThe specific objectives of the research are to: 1. Determine the concentrations of N2O, NO and NO2 in tropical coastal waters in relation to nutrients and salinities. 2. Determine, with excess nitrate present, the potential for nitrate reduction and denitrification in sediments along tropical estuaries, and whether NO, NO2, N2O, N2 or NH4+ are significant products. 3. Establish the balance between denitrification, nitrate ammonification and anammox in tropical estuarine sediments, relative to [continued...]DescriptionThe coastal zone is extremely important in the biogeochemical processes which control the natural cycle of elements of the Earth. In particular, the coastal zone contributes significantly to the nitrogen cycle, removing nitrogen washed in from the land by rivers and so reducing its fertilizing impact on the coastal seas. However, these removal processes, driven by microorganisms, also contribute to the formation of nitrogen gases, some of ...
Ex situ and in situ fuel cell degradation of a sPAEK membrane were investigated. Post-mortem analyses of the aged membrane and of the degradation products eluted in water were carried out by NMR, IR, SEC and EDX. Ex situ agings were performed in a low concentration H{sub 2}O{sub 2} solution (0.07%) without any metallic catalyst. We exemplify that ex situ accelerated aging tests in such hydrogen peroxide solution are relevant to the chemical degradation in fuel cell. We have shown that a 500 h fuel cell test at moderate temperature (60 C) induces significant modifications on the macromolecules such as a 40% molecular weight reduction. Degradation appears heterogeneous and limited to the cathode side. The model compound approach developed in the previous article (Perrot et al.) has allowed the identification of the aging path in fuel cell. Phenolic and carboxylic acid chain ends have been identified as the main products resulting from polymer ...
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We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation between the ...
When Silk fibre derived from Bombyx mori, a native biopolymer, was dissolved in highly concentrated neutral salts such as CaCl{sub 2}, the regenerated liquid silk, a gradually degraded peptide mixture of silk fibroin, could be obtained. The silk fibroin nanoparticles were prepared rapidly from the liquid silk by using water-miscible protonic and polar aprotonic organic solvents. The nanoparticles are insoluble but well dispersed and stable in aqueous solution and are globular particles with a range of 35-125 nm in diameter by means of TEM, SEM, AFM and laser sizer. Over one half of the {epsilon}-amino groups exist around the protein nanoparticles by using a trinitrobenzenesulfonic acid (TNBS) method. Raman spectra shows the tyrosine residues on the surface of the globules are more exposed than those on native silk fibers. The crystalline polymorph and conformation transition of the silk nanoparticles from random-coil and {alpha}-helix form (Silk I) into ...
Progress reports are presented for the following two areas: catalytic cracking studies with water-wet silica-alumina catalysts; and Fischer-Tropsch reactor studies where similarities and differences between fixed bed and slurry type reactors are investigated and further experiments conducted to measure mass transfer coefficients and reaction kinetics which are to be used in a model slurry reactor. The following are some of the conclusions. (1) The premise that the presence of liquid water might increase catalytic cracking activity was found to be invalid. It was demonstrated that cracking can occur at previously unobserved low temperatures (though at low conversions) and that an anomaly exists in that one of the catalysts tested shows an entirely different cracking behavior and probably follows a different cracking mechanism. (2) the diameter of a fixed-bed Fischer-Tropsch reactor critically affected the resistance of the reactor to plugging ...
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
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
The batchwise preparation of molecular sieves 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 molecular sieve. A high SiO/SUB/2/Al/SUB/2O/SUB/3 H-molecular sieve can be prepared from a molecular sieve of high adsorption capacity, this leading to a catalyst of higher stability. (4 refs.)
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)
for? Learn the Issues Science & Technology Laws & Regulations About EPA Contact Us Water: Water Quality Criteria You are here: Water Science & Technology Surface Water Standards &...
The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The 45A3 ensemble fulfills the atom-atom ...
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 objective of this project was to develop new photocatalytic or other innovative process chemistry for the treatment of pink water and related contaminated water.
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 ...
Volume 2 of the water resources data for the 1992 water year for Oklahoma consists of record of stage, discharge, and water quality of streams; stage, contents, and water quality of lakes or reservoirs; and water levels of ground-water well. The report contains discharge records for 136 gaging stations; stage and contents for 31 lakes or reservoirs; water quality for 50 gaging stations. Also included are 61 partial-record or miscellaneous streamflow stations and 28 ground-water sites.
During 1994 and the early part of 1995, the US Department of Energy's Yucca Mountain Site Characterization Office (YMSCO) and its parent organization, the Office of Civilian Radioactive Waste Management (OCRWM) underwent a significant restructuring. Senior Department officials provided the leadership to reorient the management, technical, programmatic, and public interaction approach to the US High Level Radioactive Waste Disposal Program. The restructuring involved reorganizing the federal staff, conducting meaningful strategic planning, improving the management system, rationalizing contractor responsibilities, focusing upon major products, and increasing stakeholder involvement. The restructured program has prioritized technical and scientific activities toward meeting major regulatory milestones in a timely and cost-effective manner. This approach has raised concern among elements of technical, scientific, and oversight bodies that suitability and licensing ...
Using the full potential linearized augmented plane wave (FLAPW) method, thickness dependent magnetic anisotropy of ultrathin FeCo alloy films in the range of 1 monolayer (ML) to 5 ML coverage on Pd(0 0 1) surface has been explored. We have found that the FeCo alloy films have close to half metallic state and well-known surface enhancement in thin film magnetism is observed in Fe atom, whereas the Co has rather stable magnetic moment. However, the largest magnetic moment in Fe and Co is found at 1 ML thickness. Interestingly, it has been observed that the interface magnetic moments of Fe and Co are almost the same as those of surface elements. The similar trend exists in orbital magnetic moment. This indicates that the strong hybridization between interface FeCo alloy and Pd gives rise to the large magnetic moment. Theoretically calculated magnetic anisotropy shows that the 1 ML FeCo alloy has in-plane magnetization, but the spin reorientation transition (SRT) from ...
This paper reports that grinding and polishing affected the orientation of 90[degrees] domains at the surface of lead zirconate titanate (PZT) ceramics. This was quantified by using changes in the intensity ratio of the (002) and (200) X-ray reflections. Grinding unpoled PZT with 600-grit SiC paper gave X-ray intensity ratios similar to those of poled material. This implies that 90[degrees] domain realignments had occurred in the near surface region probed by the X-rays. Grinding poled samples with 600-grit SiC further increased the X-ray intensity ratio beyond that caused by poling, indicating that additional surface reorientation of 90[degrees] domains had occurred. The effects of diamond polishing depended on the size of the diamond particles. The use of 6-[mu]m diamond had no effect on the (002)/(200) intensity ratio of either poled or unpoled samples, while polishing with 15- or 45-[mu]m diamond significantly enhanced the 90[degrees] domain rotation. In ...
This paper reports that grinding and polishing affected the orientation of 90 degrees domains at the surface of lead zirconate titanate (PZT) ceramics. This was quantified by using changes in the intensity ratio of the (002) and (200) X-ray reflections. Grinding unpoled PZT with 600-grit SiC paper gave X-ray intensity ratios similar to those of poled material. This implies that 90 degrees domain realignments had occurred in the near surface region probed by the X-rays. Grinding poled samples with 600-grit SiC further increased the X-ray intensity ratio beyond that caused by poling, indicating that additional surface reorientation of 90 degrees domains had occurred. The effects of diamond polishing depended on the size of the diamond particles. The use of 6-#mu#m diamond had no effect on the (002)/(200) intensity ratio of either poled or unpoled samples, while polishing with 15- or 45-#mu#m diamond significantly enhanced the 90 degrees domain rotation. In unpoled ...
The Hyperion project was developed to determine an algorithm for assessing the risk of hydrate plug formation in the pipeline transport oil-water-gas mixtures at low temperatures. The project is a collaboration between physicists, chemists and engineers within the petroleum industry. This paper provided an overview of the project and outlined results obtained as the project entered its third and final year. The main objective of the project has been to understand the inherent mitigation effects of some oils on gas hydrate formation as well as to develop methods of predicting the risk of hydrate plugging. To date, the project has extracted and studied natural inhibiting components (NICs) in oils. Molecular modelling techniques have been used to study hydrate and fluid interfaces in order to estimate the driving force of agglomeration and growth through mechanical surface stress and measurement of surface wave fluctuations. A scheme is also being ...
Since 1988, the Expertise group of Molecular and Cellular Biology (MCB) is an important partner in the development of the Micro-Ecological Life Support System Alternative (MELiSSA). The MELiSSA was designed to allow a small crew to survive on an Antarctic, lunar or Mars outpost, and is a joint research project currently fostered by the European Space Agency, ESA. The MELiSSA functions through a series of five interconnected compartments, of which four are microbial bioreactors and was engineered to degrade organic waste, regenerate the outpost's atmosphere and water, and provide the crew with an additional vegetarian diet. The bioreactor of the third compartment provides the edible cyanobacteria and plants of the fourth compartment with nitrate instead of ammonium as a source of nitrogen. The two bacteria responsible for the biological transformation of ammonium to nitrate (nitrification) are Nitrosomonas europaea and Nitrobacter winogradskyi. ...
A burgeoning interest in technetium coordination chemistry has been spurred by its widespread use in nuclear medicine. Recent focus has been on the design and preparation of new technetium complexes, the lipophilicity, polarity, and overall charge of which can be readily altered by simple substitutions in the molecular framework of the ligand in order to optimize the biodistribution and target specific organs. Examples are cationic (Cardiolite) and neutral (Ceretec) technetium complexes, used as myocardial and brain imaging agents, respectively. The authors have been pursuing a continuing study of tris(3-hydroxy-4-pyridinonato)gallium and -indium complexes that are water soluble, are hydrolytically stable, and are of varying lipophilicity and neutral charge. Studies of in vivo in rabbits and mice have revealed that several of these cationic complexes may be useful as morphologic kidney imaging agents, with [{sup 99m}Tc(pap){sub 3}]{sup +} ...
A burgeoning interest in technetium coordination chemistry has been spurred by its widespread use in nuclear medicine. Recent focus has been on the design and preparation of new technetium complexes, the lipophilicity, polarity, and overall charge of which can be readily altered by simple substitutions in the molecular framework of the ligand in order to optimize the biodistribution and target specific organs. Examples are cationic (Cardiolite) and neutral (Ceretec) technetium complexes, used as myocardial and brain imaging agents, respectively. The authors have been pursuing a continuing study of tris(3-hydroxy-4-pyridinonato)gallium and -indium complexes that are water soluble, are hydrolytically stable, and are of varying lipophilicity and neutral charge. Studies of in vivo in rabbits and mice have revealed that several of these cationic complexes may be useful as morphologic kidney imaging agents, with ["9"9"mTc(pap)_3]"+ showing elevated ...
Acidic constituents in crude oil are associated with the formation of stable emulsions during production and present a challenge for efficient oil recovery and processing. Acid molecules, including naphthenic acids and acidic sulfur in crude oil cause corrosion in refineries and pipelines. Naphthenic acids are also significant because of their surface activity and marginal water solubility, so that they may leach to wastewaters and cause adverse environmental effects. Acidic components of oil are not limited to carboxylic acids but also molecules that contain sulfur and nitrogen. As such, an improved understanding of the chemistry and physics of petroleum at the molecular level is needed in order to understand the range of problems associated with acidic oil components and to design better solutions. The applications of negative-ion electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) for ...
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 ...
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 ...
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
The analysis of oceanographic lidar systems measurements is often carried out with semi-empirical methods, since there is only a rough understanding of the effects of many environmental variables. The development of techniques for interpreting the accuracy of lidar measurements is needed to evaluate the effects of various environmental situations, as well as of different experimental geometric configurations and boundary conditions. A Monte Carlo simulation model represents a tool that is particularly well suited for answering these important questions. The PREMAR-2F Monte Carlo code has been developed taking into account the main molecular and non-molecular components of the marine environment. The laser radiation interaction processes of diffusion, re-emission, refraction and absorption are treated. In particular are considered: the Rayleigh elastic scattering, produced by atoms and molecules with small dimensions with respect to the laser ...
Water-resources data for the 1993 water year for Minnesota consists of records of stage, discharge and water quality of streams; stage, contents, and water quality of lakes and reservoirs; and water levels and water quality in wells and springs. This volume contains discharge records for 58 gaging stations; stage and contents for 9 lakes and reservoirs; water quality 15 stream stations, 1 lakes station, 1 precipitation station, and water levels for 15 observation wells. Also included are 61 high-flow partial-record stations. Additional water data were collected at various sites, not part of the systematic data collection program and are pulished as miscellaneous measurements.
Water-resources data for the 1991 water year for Minnesota consist of records of stage, discharge and water quality of streams; stage, contents, and water quality of lakes and reservoirs; and water levels and water quality in wells and springs. The volume contains discharge records for 60 gaging stations; stage and contents for 9 lakes and reservoirs; water quality for 18 stream stations, 1 lake station, 22 partial-record sites, 1 precipitation station, 108 wells; and water levels for 119 observation wells. Also included are 59 high-flow partial-record stations. Additional water data were collected at various sites, not part of the systematic data collection program and are published as miscellaneous measurements or low-flow investigations.
In the National Water Plan it is described which measures must be taken to keep the Netherlands safe and livable for future generations and to make use of the chances offered by water.
swimmers in or around the water. Designate a responsible adult who can swim and knows CPR to watch swimmers in or around water. The supervisor should not be involved in any...
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 %.
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 molecular sieves, and on surfaces of inorganic solids. The central ideas are chemical; and principles are illustrated by emphasizing industrial reactions and catalysts.
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.
An improved process is disclosed for reducing the water content of coal containing bound water by releasing at least a portion of the bound water by maintaining the coal at a temperature from about 220/sup 0/ to about 500/sup 0/ F. in the presence of water at a pressure sufficient to maintain at least portion of the water in a liquid phase for a time sufficient to release at least a portion of the bound water wherein the improvement comprises contacting the coal during such treatment with an active material selected from the group consisting of carboxylic organic acids containing up to about 6 carbon atoms, phenol, phenolic acids and inorganic acids.
In the United States, economic growth increasingly requires that greater volumes of freshwater be made available for new users, yet supplies of freshwater are already allocated to existing users. Currently, water for new users is made available through re-allocation of xisting water supplies-for example, by cities purchasing agricultural water rights. Water may also be made available through conservation efforts and, in some locales, through the development of ''new'' water from non-traditional sources such as the oceans, deep aquifer rackish groundwater, and water reuse.
Jet Propulsion Laboratory. California Institute of Technology. Pasadena, California. Energy and Water Conservation. Steve Rigdon. Facilities Energy Manager ...
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, ...
The water and steam circuits of steam generators in pressurized-water nuclear power plants are described together with the mechanism of denting, and the corrosion of spacer plates that leads to cracks in tubes by constriction. The different chemical specifications applicable to the water of the secondary circuit of the generators in normal operation and on first commissioning are listed. The results obtained and the measurements of chemical values taken in operation on the water in the secondary circuits of steam generators at Fessenheim and Bugey are presented.
The water and steam circuits of steam generators in pressurized-water nuclear power plants are described together with the mechanism of denting, and the corrosion of spacer plates that leads to cracks in tubes by constriction. The different chemical specifications applicable to the water of the secondary circuit of the generators in normal operation and on first commissioning are listed. The results obtained and the measurements of chemical values taken in operation on the water in the secondary circuits of steam generators at Fessenheim and Bugey are presented.
Milk substitutes are used for the breakfast of the recipients of the National School Feeding Programme in Chile. The major ingredients of milk substitutes are milk, sugar and cereal flours. The technical specifications to produce this type of food state, beside their proportions, that the flours must be precooked. This requisite is controlled by determining the gelatinization degree which must be 92% as a minimum. At present, a cheaper new alternative of milk substitute fabricated with uncooked flours and containing an enzymatic preparation has been presented to the Programme. It is postulated that when reconstituted in water under the manufacturer's directions (85 degrees C, 5 min settling time) precooking of the flours is reached. The objective of this work was to evaluate the in vitro digestibility, the effect of the enzymatic preparation (molecular size of starch and dextrose equivalent) and the degree of gelatinization of this product ...
Full text of publication follows: Large-scale problems such as nuclear waste disposal are increasingly recognized to be interconnected to small scale-mechanisms. Thus, synchrotron-based high-resolution analytical X-ray probes become important tools for exploring the micro-scale chemical reactivity of heterogeneous barrier materials used in nuclear waste repositories. In this study the layout of the micro-XAS beamline at the Swiss Light Source (SLS) will be presented. The beamline is optimized towards micro beam experiments ({approx}1 x 1 {mu}m{sup 2}) in the hard-X-ray regime (4 - {approx}22 keV) and allows to combine micro X-ray fluorescence (micro-XRF), micro X-ray absorption spectroscopy (micro- XAS), and micro X-ray diffraction (micro-XRD) investigations with radioactive samples. Furthermore, the potential of micro-XRF/XAS/XRD for acquiring spatially resolved molecular level information on the speciation and structural coordination environment of radionuclides ...
A cross-flow atmospheric plasma jet with distilled water or analyte solution nebulization has been investigated. The plasma gas flows perpendicularly to the RF powered electrode (11.21 MHz) and a grounded electrode was added for plasma stabilization. The working parameters of the plasma generator can be controlled in order to maximize either the plasma power (75 W) or the voltage on the RF powered electrode (plasma power, 40 W). The plasma gas, pure argon (0.4 l min-1) or a mixture of argon (0.3-0.4 l min-1) and helium (0-0.2 l min-1), was also used for liquid nebulization. Optical emission of the plasma, collected in the normal viewing mode, was used for plasma diagnostics and for evaluating its excitation capabilities. The influence of helium content in the mixed-gas plasma on the plasma characteristics and on the emission axial profiles of the plasma gas constituents and of the analytes originate from the wet aerosol was studied. The addition of helium to the ...
Hydrothermal oxidation (HTO) is a promising technology for the treatment of aqueous-fluid hazardous and mixed waste streams. Waste streams identified as likely candidates for treatment by this technology are primarily aqueous fluids containing hazardous organic compounds, and often containing inorganic compounds including radioisotopes (mixed wastes). These wastes are difficult and expensive to treat by conventional technologies (e.g. incineration) due to their high water content; in addition, incineration can lead to concerns related to stack releases. An especially attractive potential advantage of HTO over conventional treatment methods is the total containment of all reaction products within the overall system. The potential application of hydrothermal oxidation (HTO) technology for the treatment of DOE hazardous or mixed wastes has been uncertain due to concerns about safe and efficient operation of the technology. In principle, aqueous DOE wastes, including ...
Cooling water is sprayed on the outer surface of an upper portion of a container, and a pool is formed by the cooling water flowing down while cooling the container. Further, the cooling water stored in the cooling water pool is recycled by a pump for spraying the cooling water on the outer surface of the upper portion of the container. Sufficient amount of cooling water is supplied for spraying the cooling water to the outer surface of the upper portion of the container so that the outer surface of the container is free from drying and a liquid membrane is formed on the entire surface. The amount of the cooling water is made greater than that of the cooling water evaporated when the entire amount of the heat generate in the reactor core of the reactor is transferred to the cooling ...
Water-resources data for the 1993 water year for Texas are presented in four volumes, and consist of records of stage, discharge, and water quality of streams and canals; and stage, contents, and water quality of lakes and reservoirs; and water levels and water quality of ground-water wells. Volume 3 contains records for water discharge at 134 gaging stations; stage only at 1 gaging stations; stage and contents at 13 lakes and reservoirs; water quality at 81 gaging stations; and data for 30 partial-record and 4 flood-hydrograph partial-record stations. Also included are lists of discontinued surface-water discharge or stage-only stations and discontinued surface-water-quality stations; crest-stage and flood-hydrograph partial-record stations, reconnaissance ...
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 ...
...Species - see CITES Trade of Dangerous Chemicals Transport and Environment U Urban Environment Use of natural resources V Volatile Organic Compounds W Waste Landfills Waste electrical and electronic equipment - see WEEE Waste incineration Waste legislation - reporting Waste management planning Waste oils Waste shipments Waste water - see Urban waste waterWater Bathing Water Drinking water Floods Marine environment Urban waste waterWater Framework Directive WEEE - Waste Electric and Electronic Equipment Wildlife ...
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.
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 ...
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.
This report is a summary of the contribution of nitrogen and phosphorus in the eutrophication process of inland and coastal waters. Special attention was paid to the mechanisms of these nutrients in regulating biological processes and to the methods available in estimating their effects in the eutrophication of water bodies. The report includes five chapters which are entitled: Introduction, which is a general background to the subject with special attention to the requirements of the Finnish Water Act. Phosphorus and nitrogen as factors regulating biological processes. The topics included are: definition of eutrophication, forms of phosphorus and nitrogen and their sources to inland and coastal waters, effects of these nutrients as growth factors of phytoplankton and macrophytes and consequences of eutrophication. Estimation of the effects of phosphorus and nitrogen. The topics discussed from the point ...
This procedure describes the formulation and make-up of Simulated Dilute Water (SOW), a low-ionic-content water to be used for Activity E-20-50, Long-Term Corrosion Studies. This water has an ionic content which is nominally a factor of ten higher than that of representative waters at or near Yucca Mountain. Representative waters were chosen as J-13 well water [Harrar, 1990] and perched water at Yucca Mountain [Glassley, 1996]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock. The perched water is located in the Topopah Spring tuff, but below the repository horizon and above the water table. A nominal times ten higher ionic content was chosen to simulate the effect of ionic ...
The study investigates the possibility of enhancing crop water productivity in the parts of Northwest India where groundwater quality is marginal and canal water supply is severely scarce. Soil, Water, Atmosphere and Plant (SWAP) model was calibrated and validated in three farmers' fields with varying canal water availability and groundwater quality in the Kaithal Irrigation Circle of the Bhakra Canal system, Haryana. On the basis of predicted and observed soil water content, pressure heads, salt concentration at 2 week intervals and crop yields, the model was found suitable for use in the region. A few nomographs were prepared to provide a graphical method to predict the effect of different combinations of water quality and depth of water application on crop yield and soil salinity and to...
The research committee of the Atomic Energy Society of Japan on water chemistry standard aims at establishing the private standard of water chemistry of nuclear power plants. The committee gathers up 'BWR water chemistry management manual', 'PWR primary system water chemistry management manual' and 'PWR water chemical analysis standard method', and furthermore aims at the standardization of those in future. Looking back on the committee's activities for the past four years, latest results of research of water chemistry mainly contributing to safe and reliable nuclear power plants were described with the future perspective of water chemistry and a demanded break-through. (T.T.)
Using the Laser-Fluorescence technique, an investigation was made, adopting the standard mix method, on trace uranium concentrations in hot spring water and geothermal water from Lishan region, and in tap water from some major cities in Shanxi province. Totally 40 samples from 27 sites were investigated. Measurement showed that the tap water contains around 10"-"6 g/L of uranium, whose concentrations in both hot spring water and geothermal water are 10"-"5 g/L. Most of samples are at normal radioactive background level, some higher contents were determined in a few samples
In equipment industries, the equipments handling industrial water and pure water are numerous. In power generation including nuclear power generation, water serves as a working medium. Review is made on the experiences in the corrosion of iron and nickel base alloys in high temperature, high pressure water and the results of researches derived from them. Under high temperature and high pressure, carbon steel, low alloy steel, stainless steel and high nickel alloy cause corrosion even in pure water. But in the case of serious corrosion, chlorine, oxygen, alkali and others in water take part. The following matters are described: corrosion by steam; stress corrosion cracking in pure water; corrosion by impurities in high temperature, high pressure pure water, i.e. chlorine ions, dissolved oxygen, and alkali; corrosion under ...
...AquaMagna Water Conditioner and Descaler OCETA Environmental Technology & Business Profiles AQUAMAGNA WATER CONDITIONER AND DESCALER CAT. #03-018 CONTACT: Magna-Tek ...removal high-strength ceramic magnet no energy input The AquaMagna Water Conditioner and Descaler is a non-chemical method of water treatment. The technology uses ... Figure 1: The AquaMagna Water Conditioner and Descaler PROCESS/ PRODUCT APPLICATION: hard water domestic water process water reverse osmosis heat exchangers cooling ... For once-through or recirculating heating or cooling equipment, the AquaMagna descaler improves thermal efficiencies and reduces downtime. Figure 2 illustrates a cross-section ...
This paper presents a novel domestic hot water heater model to be used in a multi-objective demand side management program. The model incorporates both the thermal losses and the water usage to determine the temperature of the water in the tank. Water heater loads are extracted from household load data and then used to determine the household water usage patterns. The benefits of the model are: (1) the on/off state of the water heater and temperature of the water in the tank can be accurately predicted, and (2) it enables the development of water usage profiles so that users can be classified based on usage behaviour. As a result, the amount of ancillary services and peak shaving that can be achieved are accurately predictable and can be maximized without adversely affecting users. (author)
...Tota-MaharajE-Mail: Interests: water and wastewater treatment, environmental engineering and sustainable systems; sustainable water management; sustainable urban drainage systems (SUDS); combined renewable energy applications with reverse osmosis desalination; microbial fuel cells for bioenergy production and treatment of urban wastewater; solar photocatalytic treatment and disinfection of water/wastewater Dr. Simon Toze CSIRO Land and Water, Queensland Bioscience Precinct - St Lucia, 306 Carmody Road, St Lucia QLD 4067,...
Indicators of source water use in different economic branches, water consumption in recycling and recycling-successive water supply in 1980?2006 are analyzed. Trends were identified in variations in specific water consumption in industry, agriculture, and municipal economy. Territorial differentiation of wetness indicators of regional product over federal districts and constituent territories of the RF is shown. Wetness values of gross domestic product in different economies are compared.
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
One membrane oxygen enricher (Oxygen Enrichment Company OE-4E) and four molecular sieve (MS) concentrators (Mountain Medical Econo2, De Vilbiss MINI DeVO2, Cryogenic Roomate III, and Mountain Medical...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
The physicochemical nature of a silicoaluminophosphate with the faujasite structure has been studied. The molecular sieve 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.
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 ...
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.).
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.
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.
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 molecular sieves 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...
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.)
number Fax (501) 228-3600 (501) 228-3601 Surface Water Data Information Requests Bill Baldwin (501) 228-3602 Surface Water General Information Jaysson Funkhouser (501) 228-3663...
Background Microbial water-quality indicators, in high concentrations in sewage, are used to determine whether water is safe for recreational purposes. Recently, the use of these indicators...Full Text Available
In order to reduce the air concentration of (sup 3)H in the reactor buiIding of Wolsung Heavy Water Reactor, a computer code for estimation of adsorption behavior was programmed based on an equation derived for analysis of water vapor adsorption, and a ba...
Before the implementation Water Framework directive, it was usual to forget that a good environment protection of the receiving waters needs a correct and coordinated operation of the subsystems of the water cycle, specially sewerage system, WWTP and receiving waters. This explains that most of the countries have focused their efforts in the treatment of dry weather flows forgetting the management of wet weather flows. Actually the idea that a sewerage system or a WWTP can not be planned or managed independently without considering the effects on the receiving waters is commonly accepted because not only each one of these systems must work correctly but also it is required a minimum impact in the receiving waters of the sewerage and WWTP overflows in dry and wet weather. All these links will affect the management strategy of the sewerage system (storm ...
The effect of the water-chemical regime (WCR) on damage sustained by heating surfaces of steam generators at NPP is analyzed. It is indicated that phosphate treatment with minimal excesses of phosphates in the steamgenerator water is the most optimal method of managing the WCR regime of horizontal steam generators.
The effect of water stress on patterns of nitrate reductase activity in the leaves and nodules and on nitrogen fixation were investigated in Medicago sativa L. plants watered 1 week...Full Text Available
The reference medium for brachytherapy dose measurements is water. Accuracy of dose measurements of brachytherapy sources is critically dependent on precise measurement of the source–detector...Full Text Available
A model was developed to compute concentration of impurities in the WWER 440 steam generator (SG) secondary water along the tube bundle. Calculated values were verified by concentration values obtained from secondary water sample chemical analysis. (orig.). 2 refs.
A method of measuring the water potential of stored potato tubers (Solanum tuberosum L.) was needed to investigate the relationship of bacterial soft rot in tubers to water potential....Full Text Available
By the time of primary 21st century, water hyacinth had become a serious environmental problem in China. Water hyacinth contributes to the major part of ecological hazards from the invasion of foreign...Full Text Available
Background and AimsXylem vessels containing gases (embolized) must be refilled with water if they are to resume transport of water through the plant, so refilling is of great importance...Full Text Available
average bulk water temper ature rise, OF bulk water temperature at elevation z, OF bulk water temperature in channels 0 and 1, O F film temperature, OF ...
Object: To smoothly control automatic water supply for realizing stable operation of a nuclear reactor by providing a flow rate limiting signal selection circuit and a preferential circuit in a water supply control device for a nuclear reactor wherein the speed of a recirculation pump may be changed in two-steps. Structure: Opening angle signals for a water supply regulating valve are controlled by a nuclear reactor water level signal, a vapor flow rate signal and a supplied water flow rate signal through an adder and an adjuster in response to a predetermined water level setting signal. When the water in the reactor is maintained at a predetermined level, a selection circuit receives a water pump condition signal for selecting one of the signals from a supplied water rate limiting signal generator ...
Inadequate measures of water quality have been used in many studies of the health effects associated with water supplies in developing countries. The present 1-year epidemiological-microbiological study...Full Text Available
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 ...
THMs are disinfection by-products (DBPs) generated during water chlorination. Concentration of individual and total THMs, depends on treatment process and THMs precursors level. ATLL water utility has two DWTP (Llobregar and Ter) that produce and supply drinking water to Barcelona and regional area. This work studies the levels of THMs along the ATLL distribution system (450 km). Although, no differences were observed along water pipes system, changes of water resource and mix procedures were related. (Author) 12 refs.
In a supercritical water-cooled reactor, property of water changes significantly around the critical point. It is expected that irradiation and change of water property will affect the chemistry and material corrosion. Deep understanding of interactions between supercritical water and materials under irradiation is important. However, comprehensive data on radiolysis, kinetics, corrosion and thermodynamics have not been obtained due to the severe experimental condition. To get such data by experiments and computer simulations, a national program funded by Ministry of Education, Culture, Sports, Science and Technology (MEXT) has been started since December 2002. (author)
In this paper the diffusion of tritiated water vapor into concrete walls is studied to evaluate tritiated water retention capacity of a fusion reactor concrete building. Using a model of the tritiated water diffusion determined form experimental results, depth profiles of tritiated water in concrete are calculated in the case of being exposed to air containing tritiated water vapor during the normal operational condition of a fusion reactor. A 0.5-m-thick concrete is sufficient for reactor hall walls from a viewpoint of the tritium containment.
In this paper the diffusion of tritiated water vapor into concrete walls is studied to evaluate tritiated water retention capacity of a fusion reactor concrete building. Using a model of the tritiated water diffusion determined form experimental results, depth profiles of tritiated water in concrete are calculated in the case of being exposed to air containing tritiated water vapor during the normal operational condition of a fusion reactor. A 0.5-m-thick concrete is sufficient for reactor hall walls from a viewpoint of the tritium containment.
The transport of liquid water and gaseous reactants through a gas diffusion layer (GDL) is one of the most important water management issues in a proton exchange membrane fuel cell (PEMFC). In this work, the liquid water breakthrough dynamics, characterized by the capillary pressure and water saturation, across GDLs with and without a microporous layer (MPL) are studied in an ex-situ setup which closely simulates a real fuel cell configuration and operating conditions. The results reveal that recurrent breakthroughs are observed for all of the GDL samples tested, indicating the presence of an intermittent water drainage mechanism in the GDL. This is accounted for by the breakdown and redevelopment of the continuous water paths during water drainage as demonstrated by Haines jumps. For GDL ...
Water is one of our most precious resources. However, for many in the United States, having fresh, safe drinking water is taken for granted, and due to this perceived lack of relevance, students may not fully appreciate the luxury of having safe running water--in the home. One approach to resolving water-quality issues in the United States may reside in providing education that presents accurate information in a meaningful way. Accordingly, this article describes a unit designed to emphasize the importance of water-quality testing and purification and to introduce students to local water-quality issues. The engineering-based module of this eighth-grade science activity is particularly important due to the design-build-test component. (Contains 5 figures.)
Most plans for the disposition of surplus nuclear materials involve storage in sealed containers where the evolution of gases from reactions of adsorbed water could present both pressure and flammability hazards[l] . Despite efforts such as calcining the material to minimize the water content prior to packaging, both residual moisture and readsorbed water may be present in the final containers . Given the anticipated temperature excursions during transportation and storage, this water may thermally desorb, increasing the pressure, and/or thermally dissociate to produce H2 gas, increasing flammability hazards . In addition, the radiation from the nuclear material may induce radiolysis of the water with the likely products being water vapor, H2, 02 and H2O2. In order to better understand the relative importance of the thermal- and radiationinduced chemistry, we ...
Ground water is treated in the Czech Republic so that small water tanks are built above each water source to serve the primary ground water treatment; water so pretreated is then concentrated in large basins for subsequent treatment. Some water tanks where the first contact of the ground water with air takes place were selected as sites predisposed to radon accumulation. The examination was carried out near the town of Jihlava, where the bedrock contains slightly elevated radium concentrations. The average radon concentrations lay within the region of 2-4 kBq/m"3; the instantaneous values, however, exhibited appreciable periodical variations during the day. The relatively high radon concentrations will not pose a marked hazard for the personnel because the employees only reside at the sites in question for 10 to 15 minutes within 2 days, not ...
A single cylinder diesel engine study of water-in-diesel emulsions was conducted to investigate the effect of water emulsification on the engine performance and gases exhaust temperature. Emulsified Diesel fuels of 0, 5, 10, 15 and 20 water/diesel ratios by volume were used in a single cylinder, direct injection diesel engine, operating at 1200-3300 rpm. The results indicate that the addition of water in the form of emulsion improves combustion efficiency. The engine torque, power and brake thermal efficiency increase as the water percentage in the emulsion increases. The average increase in the brake thermal efficiency for 20% water emulsion is approximately 3.5% over the use of diesel for the engine speed range studied. The proper brake specific fuel consumption and gases exhaust temperature decrease as the percentage of water in the ...
... Marine transport and oil disposal by boats and Matadi pose threats in the region. When the water ... Marine transport and oil disposal by boats and Matadi pose threats in the region. When the water ... ...
This site explains how temperature, pressure, and salinity work together to determine the density of ocean water. The three density layers of the ocean are described by means of text description and a graphic illustration.
Using air as a carrier gas is common in humidification?dehumidification desalination processes. A computer program was written using mass and energy balances for modeling the process behavior. The parameters considered in this work were inlet air and fresh water recycle temperatures, inlet air flow rate, saline water and fresh water recycle flow rates, and saline water to air flow ratio. Results of simulation showed that increasing inlet air and fresh water recycle flow rate increases fresh water production. It was also found that heating the inlet air to humidification column or cooling the inlet water to dehumidification column increases the production rate but increasing water to air flow ratio in a humidifier leads to a lower production rate. The predicted effects of the parameters on ...
The largest outbreak of cryptosporidiosis reported in the United Kingdom, involving 575 confirmed cases (of which 474 met an agreed case definition), occurred in the county of Devon during August and September of 1995. The descriptive epidemiology supports the hypothesis that the outbreak was associated with the consumption of cold tap water in the area served by a particular water treatment works. Cryptosporidium oocysts were detected in treated water samples at the time of the outbreak. Although the epidemiological analysis provided strong circumstantial evidence of a waterborne outbreak, the data were not recorded in a manner that made them admissible in criminal proceedings taken by the Drinking Water Inspectorate against the water company involved. The need to carry out an analytical study in conjunction with the identification and characterisation of the pathogen in the ...
metric temperatures has been prepared showing the surface water temper- ... occasion, gray levels show different densities for similar water temper- ...
... should give full con- As for the effects of the Three Gorges on the mouth of sideration to the rising water process and water temper- the river, the ...
ObjectiveTo evaluate the effect of moderate aerobic physical activity in water on fetal cardiotocography patterns in sedentary pregnant women.MethodIn...Full Text Available
The very low-pressure expansion tank of the title invention is connected to the water in the central heating installation via a connecting pipe with a pump and valves on one side, and on the other side the tank is connected via a connecting pipe with valve to the tap water mains, so that the supply of water can be regulated automatically. Within the expansion tank contact with the outside air is not possible because of an air/water separating floater. By means of recording and control (also remote) of the contents of the expansion tank, the installation pressure and the quantity of supplied water from the expansion tank and the tap water mains, failures and water damage are prevented. 4 figs.
An environmental study was done to examine the prevalence of Vibrio mimicus in some aquatic environments of Dhaka, Bangladesh, and of Okayama, Japan. Water samples from Dhaka environments and water...Full Text Available
density is slightly higher, its electrical conductivity is much higher, and it is slightly ... Sea water has characteristic properties (e.g. density) that are independent of ...
In the Mediterranean arc, vines for wine production are mainly grown without the support of irrigation. Under such conditions, site variables affecting the extent and seasonal timing of water deficits are the dominant environmental constraints for grape production. Moreover, water availability and vine water status are the factors most comprehensively determining fruit composition and, thus, wine quality. Therefore, monitoring the extent of water stress in vines might be a valuable tool for the optimisation of grape yield and quality. The objective of this study was to evaluate the feasibility of using the reflectance based Water Index (WI) to estimate vine water status at the leaf and canopy levels. The study was conducted on Vitis vinifera cv. Chardonnay potted plants submitted to contra...
Halothane, chloroform, and carbon tetrachloride, in the vapor and liquid phases, stimulate the water receptor of the blowfly Phormia regina. There are three successive phases of response to long-lasting...Full Text Available
In this paper, we calculated the radioactive concentration distribution of radioactive waste water, the temperature distribution of drained cooling water and the effect of implement from the Daya Bay Nuclear Power Plant on nearby waters range, discussed and analysed some problems of computational results and computation with Alternating Direction Implicit Method (ADI). The contents of the article included: the establishment of two-dimension tidal current equation, radioactive waste water pollutant dispersion equation and cooling water heat convection diffusion equation, the numerical difference calculation model of tidal current field, concentration field as well as temperature field, effect impingement with ADI method, numerical calculation results. The result of research showed that: when the Daya Bay Nuclear Power Plant is on normal operation and after the low level radioactive ...
This paper, firstly, introduces the background in developing a high quality water supply system, in which the drinking water system is isolated inside a building. Results of questionnaire on the high quality service water are illustrated. The results of questionnaire have revealed that the high quality service water is extremely interested. Then, are described the target quality of high quality water, the constitution of high quality water supply system, the treatment process, the measures to secure safety and sanitary, and the method of maintenance. The high quality water is produced through the activated charcoal absorption treatment, membrane treatment, ozonation, cooling, mineral addition, and disinfection of city water. Furthermore, application examples of this system adopted to a department store and a bachelor ...
In an attempt to obtain basic data for evaluation of exposure doses in Niigata Prefecture, the concentrations of tritium in atmospheric water, precipitation, river water, and tap water were measured. Samples of atmospheric water, river water, and tap water were collected once for 2 weeks; and precipitation collected for one week was used as sample. The concentration of atmospheric tritium depended on the concentration of tritium in moisture and the content of water in atmosphere. Tritium levels were high in May, November and March, and low in September. Regarding tritium concentrations, there was a good correlation between atmospheric water and precipitation. Tritium concentrations in both of them varied from sample to sample. The concentrations of tritium in river and tap water tended to be high ...
Immunoassays are versatile analytical techniques that had a leading role in various clinical applications, during the last four decades. The studies carried out by Rosalyn Yalow, Solomon Berson and Roger Ekins in the 1960s gave a breakthrough in the development of this novel analytical method. Sensitivity up to femtomolar concentrations, high specificity and universal application to different classes of molecular species made immunoassay a very useful tool in analytical investigation. The expertise acquired by immunochemists in producing antibodies against any antigen and the ability of radiochemists in labeling the antigens with "1"2"5I without affecting the active site are the two main factors responsible for the above development. There are concerns about the safety and health of humans due to the high-level contamination of environment by pesticides, industrial compounds and metals, anabolic steroids in milk and meat products, and presence of mycotoxins in food ...
This document summarizes the degree to which State water quality standards include wetlands in their definitions of State waters. The detailed review of other elements of standards, such as uses, criteria and antidegradation, is beyond the scope of this review. The purpose of this review is to provide a baseline of information for the development of EPA guidance and policies related to water quality standards for wetlands.