UK PubMed Central (United Kingdom)

The objective of this study was to determine if inflammatory tolerance and enhancement of innate immune function could be induced by the gram-positive cell wall component peptidoglycan (PGN)....Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The process operation of the hot wall vapor deposition method, formation of dry organic thin film and the control of molecular arrangement were described. This equipment included a substrate on the upper end of the hot wall tube and the vapor source at the lower end. The remarkable features are the hot wall tube which plays the role to hold vaporizing molecules to the high temperature and to transport molecules, and the flip flop mechanism which gives some idle period for the molecular vaporization by shutter closing. Several experiments were carried out by using stearic acid and by changing the distance S from the upper end of hot wall quartz tube to the substrate, the furnace temperature T{sub f} and the substrate temperature T{sub s}. When T{sub f} is equal to or less than the melting point of stearic acid, molectles are preferentialy made to vertical ...

International Nuclear Information System (INIS)

This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack ...

International Nuclear Information System (INIS)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, Tg, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of Tg is observed for small pore sizes and attractive surface while Tg decreases for non ...

Energy Technology Data Exchange (ETDEWEB)

We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C{sub 60} and C{sub 20}) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10{sup -7} and 6.768 x 10{sup -7} nN/atom for C{sub 60} and C{sub 20} bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C{sub 60} and C{sub 20} bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings.

Energy Technology Data Exchange (ETDEWEB)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, T{sub g}, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of T{sub g} is observed for small pore sizes and attractive surface while T{sub g} ...

Energy Technology Data Exchange (ETDEWEB)

A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)

Science.gov (United States)

Not Available

UK PubMed Central (United Kingdom)

Terminal differentiation of many vascular cells involves cell wall changes. Cells first elongate their primary wall, then lay down a lignified secondary wall, which is often followed by digestion of...Full Text Available

Science.gov (United States)

In this paper, we studied vapor-liquid equilibria (VLE) and adsorption of ethylene on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers. Simple models of a one-center Lennard-Jones (LJ) potential and a two-center united atom (UA)-LJ potential are investigated to study the impact of the choice of potential models in the description of VLE and adsorption behavior. Here, we used a Monte Carlo simulation method with grand canonical Monte Carlo (GCMC) and Gibbs ensemble Monte Carlo ensembles. The one-center potential model cannot describe adequately the VLE over the practical range of temperature from the triple point to the critical point. On the other hand, the two-center potential model (Wick et al. J. Phys. Chem. B 2000, 104, 8008-8016) performs well in the description of VLE (saturated vapor and liquid densities and vapor pressure) over the wide range of temperature. This UA-LJ model is then used in the study of ...

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...

UK PubMed Central (United Kingdom)

A method for the study of conjugated polyelectrolyte (CPE) photophysics in solution at the single-molecule level is described. Extended observation times of single polymer molecules are enabled by the...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

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.

Energy Technology Data Exchange (ETDEWEB)

The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.

UK PubMed Central (United Kingdom)

Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In a reactor environment, the surface of a limiter or wall is primarily determined by the mechanism of erosion and deposition of surface material. It should be possible to use pellet injection to reduce net erosion to zero everywhere if low-Z materials are used for the surface. Erosion rates can, in general, be minimized by large area limiters and high plasma temperatures, which transmit power to the walls with less sputtering. Under ideal steady state conditions the wall surface is dominated by metallurgical effects in the wall.

KoreaScience (Korea)

Full Text Available

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

... carbon 14 cholera gels labelling membranes molecules proteins receptors

International Nuclear Information System (INIS)

Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)

Energy Technology Data Exchange (ETDEWEB)

Radiological findings of chest and abdominal wall involvement in Hodgkin's disease are reported. This manifestation was diagnosed in one patient in the primary staging and in two patients during the course of the disease. Typical radiological findings are soft tissue masses in the chest and abdominal wall, in two cases with continous tumor growth of enlarged mediastinal lymphnodes into the anterior chest wall. The axial computed tomography is the best method to evaluate the extent of chest and abdominal wall involvement in Hodgkin's disease.

British Library Electronic Table of Contents (United Kingdom)

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 ...

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are ...

Energy Technology Data Exchange (ETDEWEB)

The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

Energy Technology Data Exchange (ETDEWEB)

The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...

International Nuclear Information System (INIS)

A review of tests on earthquake-resistant reinforced concrete structural walls is presented. Laboratory tests of isolated walls and construction joints are discussed. Where appropriate, design recommendations are given. The review indicates only few experimental data are available for short walls which are directly applicable to nuclear power plant design. In particular, tests of short rectangular walls subjected to load reversals are needed. Tests are also needed to determine the damping and frequency characteristics of cracked short walls. Analytical and experimental results should be correlated so that the hysteretic response observed in tests can be realistically related to the analytical response 'demand' of nuclear power plant structures. (Auth.).

UK PubMed Central (United Kingdom)

Walled-off pancreatic necrosis (WOPN), formerly known as pancreatic abscess is a late complication of acute pancreatitis. It can be lethal, even though it is rare. This critical review provides an overview...Full Text Available

UK PubMed Central (United Kingdom)

The fungal pathogen Candida albicans is one of the leading causative agents of death in immunocompromised individuals. It harbors an arsenal of cell wall anchored factors that are implicated...Full Text Available

UK PubMed Central (United Kingdom)

Poland's anomaly is an uncommon congenital aberration of the chest wall characterized by absence of the pectoralis major muscle and other nearby musculoskeletal components. In this series, a wide spectrum...Full Text Available

UK PubMed Central (United Kingdom)

Blunt chest-wall trauma is common; however, resultant tricuspid valve rupture is rare and can be subtle in its presentation. Transthoracic echocardiography plays a key role in diagnosis.Herein,...Full Text Available

International Nuclear Information System (INIS)

Ewing's sarcoma is the second most common malignant bone tumor in children and young adults. It is most prevalent between the ages of 10 and 15 years. There are present two cases of Ewing's sarcoma of the chest wall. The clinical, radiological and pathological features are described and the therapeutic options are discussed. (Author)

UK PubMed Central (United Kingdom)

BackgroundDuring normal breathing, the mesothelial surfaces of the lung and chest wall slide relative to one another. Experimentally, the shear stresses induced by...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A general model for wakefield-generated instabilities in linear accelerators, originally developed for cumulative beam breakup [1], is applied to the resistive wall instability. The general solution for various bunch charge distributions and application to various accelerator configurations are presented.

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

A theoretical analysis of two-dimensional unsteady flow in a porous medium bounded by a horizontal wall is presented as a perturbation on a basic flow. It is assumed that the perturbation is occasioned by a sudden suction at the wall. Even for a highly permeable medium the characteristic Reynolds number in porous media flow is usually small and asymptotic solutions are developed by the Laplace transform technique. It is observed that the perturbed shear stress at the wall decays exponentially with time. (author). 5 refs.

International Nuclear Information System (INIS)

Naturally occurring radioactive materials (NORM) in seven new type wall materials were surveyed. The radioactivity was determined with HPGe-#gamma# spectrometer. The red mud has the highest radioactivity concentration, followed by slag building blocks, fly-ash building blocks (bricks), gangue bricks and light weight board materials, gypsum blocks. Fly-ash and slag contain higher NORM, which contributes the major part of the radioactivity in new wall materials. (authors)

Energy Technology Data Exchange (ETDEWEB)

As a part of a phenomenological model, a method for simulating the wall/jet interaction in a direct injection diesel engine is proposed. The method is based on the application of the momentum conservation equation in the different directions in which the wall jet is spread, and takes into account both the interaction with the combustion chamber geometry and with swirl. It takes as initial conditions the results of calculating the free jet, which is divided into packages. The predictions provide good agreement with those by other researchers. (author).

DEFF Research Database (Denmark)

There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...

Energy Technology Data Exchange (ETDEWEB)

Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.

International Nuclear Information System (INIS)

Short communication.

Science.gov (United States)

... the ct-neurotoxin from Dendroaspis viridis venom (a-DTX) , which binds to four sites on the AcChR molecule (Conti-Tronconi & Raftery 1986). ...

UK PubMed Central (United Kingdom)

There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available

UK PubMed Central (United Kingdom)

Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...

Energy Technology Data Exchange (ETDEWEB)

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) ...

UK PubMed Central (United Kingdom)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available

International Nuclear Information System (INIS)

... kinetics chemical reactions energy dependence ion-molecule collisions milli

British Library Electronic Table of Contents (United Kingdom)

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 ...

UK PubMed Central (United Kingdom)

PurposeTo analyze the expression of apoptosis and cell proliferation molecules in pterygium tissues of Chinese patients.MethodsThirty-three pterygia...Full Text Available

CERN Document Server

Calculations relating to two experiments that demonstrate coherent control of preformed rubidium-85 molecules in a magneto-optical trap using ultrafast laser pulses are presented. In the first experiment, it is shown that pre-associated molecules in an incoherent mixture of states can be made to oscillate coherently using a single ultrafast pulse. A novel mechanism that can transfer molecular population to more deeply bound vibrational levels is used in the second. Optimal parameters of the control pulse are presented for the application of the mechanism to molecules in a magneto-optical trap. The calculations make use of an experimental determination of the initial state of molecules photoassociated by the trapping lasers in the magneto-optical trap and use shaped pulses consistent with a standard ultrafast laser system.

UK PubMed Central (United Kingdom)

This paper describes attempts to isolate and characterize glycosaminoglycan (GAG)-binding molecules on the surface of lymphocytes and lymphoma cell lines and relate their expression to splenic and lymph...Full Text Available

UK PubMed Central (United Kingdom)

Carboxylesterases (CE) are ubiquitous enzymes that hydrolyze numerous ester-containing xenobiotics, including complex molecules, such as the anticancer drugs irinotecan (CPT-11) and capecitabine...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent ...

Energy Technology Data Exchange (ETDEWEB)

The experimental survey about the heat transfer between the working fluid and the combustion chamber wall with a direct injection diesel engine has shown the production of a soot layer with increasing loads on the combustion chamber wall. Because the combustion process of methanol occurs without the formation of wall deposits, the same engine spark ignitioned with methanol at the same conditions has shown a higher heat transfer coefficient. Because the heat losses do not only depend on the heat transfer coefficient but also on the driving temperature difference between the working fluid and the combustion chamber wall, the methanol engine with corresponding process management showed lower heat losses than the diesel engine at nearly the same load. (orig./HW)

Energy Technology Data Exchange (ETDEWEB)

Improved separation of heavier material from a dispersoid of gas and heavier material entrained therein is taught by the method of this invention which advantageously uses apparatus embodied in an inertial separator having rotary partition means comprising wall members dividing a housing into a plurality of axially-extending through passages arranged in parallel. Simultaneously with the helical transit of a moving stream of the dispersoid through the parallel arrangement of axially-extending through passages at a constant angular velocity, the heavier material is driven radially to the collecting surfaces of the rotational wall members where it is collected while the wall members are rotating at the same angular velocity as the moving stream. The plurality of wall members not only provides an increased area of collecting surfaces but the positioning of each of the wall members ...

Energy Technology Data Exchange (ETDEWEB)

The unsteady state heat transfer behaviour of a vertical wall subject to the effects of uniform radiation is investigated and the dimensional analysis of combined heat transfers by conduction, convection and radiation is presented. The convective heat transfer coefficients used in the numerical model are determined experimentally by means of an assembly resembling the conditions encountered in the dwelling (variable temperatures and heat flows in time and space, wall associated with a floor, radiative flux outside the wall). In routine conditions (homogeneous wall dimensions, temperature differentials less than 40/sup 0/C), it is shown that the problem depends in practice on three parameters (instead of five) and that nomographs can give the energy accumulated in the wall as a function of its geometric and thermal charactersitics and the external conditions (type and thickness of ...

International Nuclear Information System (INIS)

From the results of the In-Service Inspection (ISI) measuring the wall thickness of outlet (hot-leg side) feeder pipes performed at two Canadian nuclear power plants, Point Lepreau and Gentilly-2 in 1995 and 1996, respectively, the wall thinning degradation of feeder pipes at the bend part was found to be much more severe than expected. It has been well known that such wall thinning of feeder pipes is caused by the flow accelerated corrosion (FAC) which is one of the mechanical-chemical degradation mechanisms affecting the integrity of piping systems. For the Wolsung unit 1, the wall thickness measurements have been performed during every overhaul period since 1996. The wall thinning rates at the bends of outlet feeder pipes were assessed to exceed the design value. However, for the Wolsung units 2, 3 and 4, the wall thinning rates of all the outlet feeder pipes ...

Science.gov (United States)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

UK PubMed Central (United Kingdom)

Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available

Science.gov (United States)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

UK PubMed Central (United Kingdom)

The tumor suppressor p53 is often inactivated in breast cancer cells because the overexpression of its repressors (e.g., MDM2 and MDMX). Restoration of p53 activity by small molecules through counteracting...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these ...

Energy Technology Data Exchange (ETDEWEB)

The authors report here on an experimental study of heat transfer augmentation in turbulent flow. Enhancement strategies employed in this investigation are based on the near-wall mixing processes induced in the sublayer through appropriate wall and near-wall streamwise-periodic disturbances. Experiments are performed in a low-turbulence wind-tunnel with a high-aspect-ratio rectangular channel having either (a) two-dimensional periodic microgrooves on the wall, or (b) two-dimensional microcylinders placed in the immediate vicinity of the wall. It is found that microdisturbances placed inside the sublayer induce favorable heat-transport augmentation with respect to the smooth-wall case, in the near-analogous momentum and heat transfer behavior are preserved; a roughly commensurate increase in heat and momentum transport is termed favorable in that it leads to a ...

International Nuclear Information System (INIS)

This paper summarises the main results obtained so far in the frame of the EU Home Team test programme of ITER primary wall small scale mock ups. It describes briefly the fabrication method of the mock ups, the test conditions and the main results obtained with high heat flux and thermal fatigue tests of Cu alloy/stainless steel and beryllium/Cu alloy/stainless steel mock ups. The results obtained so far show good thermal fatigue performance and operation margin of the ITER primary first wall concept. (author)

International Nuclear Information System (INIS)

This paper presents the main achievements of the European Home Team (EU HT) test programme of ITER primary wall small scale mock ups. It describes briefly the fabrication method of the mock ups, the test conditions and the main results obtained with high heat flux and thermal fatigue tests of Cu alloy/stainless steel and beryllium/Cu alloy/stainless steel mock ups. The results obtained so far show very good thermal fatigue performance and operation margin of the ITER primary first wall concept.

Science.gov (United States)

We present evidence for the creation of an exchange spring in an antiferromagnet due to exchange coupling to a ferromagnet. X-ray magnetic linear dichroism spectroscopy on single crystal Co/NiO(001) shows that a partial domain wall is wound up at the surface of the antiferromagnet when the adjacent ferromagnet is rotated by a magnetic field. We determine the interface exchange stiffness and the antiferromagnetic domain wall energy from the field dependence of the direction of the antiferromagnetic axis, the antiferromagnetic pendant to a ferromagnetic hysteresis loop. The existence of a planar antiferromagnetic domain wall, proven by our measurement, is a key assumption of most exchange bias models.

Energy Technology Data Exchange (ETDEWEB)

An aspiration cover is proposed for the site of loading a belt conveyer including a housing arranged above the belt conveyer in whose cover there is an aspiration sleeve and a discharge chute from the upper wall and a guide having a cushioning plate on the lower end. It is distinguished by the fact that in order to improve the effectiveness of removing dust by decreasing the volume of aspirated air, the cover between the aspiration sleeve and the upper wall of the loading chute is convex in the inside of the housing and has a smooth connection to the upper wall of the discharge chute turned towards the cushioning plate.

Science.gov (United States)

... Figure 3a. PETN Filled Tube Specimen Detonated by Exploding Bridgewire Specimen POLYETIILLENE END-CAP "1- 901am WALL IHICKNESS ...

Science.gov (United States)

screens of fine wire was placed between the gun barrel and the panel to determine whether the gun performance was repeatable. The transducers were placed ...

British Library Electronic Table of Contents (United Kingdom)

We demonstrate a novel cross-sectional deformation, called the radial corrugation, of multi-walled carbon nanotubes (MWNTs) under hydrostatic pressure. Theoretical analyses based on the continuum elastic approximation have revealed that MWNTs consisting of more than ten concentric walls undergo elastic deformations at critical pressure Formula Not Shown , above which the circular shape of the cross-section becomes radially corrugated. Various corrugation modes have been observed by tuning the innermost tube diameter and the number of constituent walls, which is a direct consequence of the core-shell structure of MWNTs. Cross-sectional views of MWNT under high hydrostatic pressure: elliptic deformation with the mode index n = 2 (left), and radial corrugations with n = 5 (center), and n = 6 ...

International Science & Technology Center (ISTC)

Morphological, Electrophysiological and Behavioral Investigations of the Nervous Tissue Developed from the Embryonic Matrix Zone Cells of the Dorsolateral Walls of Lateral Ventricles, Implanted into the Lesioned Regions of the Adult Rat's Brain

Science.gov (United States)

We set a symmetric boundary at x=200 and a conducting wall at z=150. The domain of 0200. 0150 is resolved by 60004500 grid cells. Harris sheet ...

CERN Document Server

We study dipolar bosons in a 1D optical lattice and identify a region in parameter space---strong coupling but relatively weak on-site repulsion---hosting a series of stable CDW states whose low-energy excitations, built from "fractional domain walls", are remarkably similar to those of non-abelian fractional quantum Hall states. Here, a conventional domain wall between translated CDW's may split by inserting strings of degenerate, but inequivalent, CDW states. Outside these insulating regions, we find numerous supersolids as well as a superfluid regime. The mentioned phases should be accessible experimentally, and in particular, the fractional domain walls can be created in the ground state using single-site addressing, i.e. by locally changing the chemical potential.

Energy Technology Data Exchange (ETDEWEB)

Accidents of free-rolling cars against walls with friction are special cases of the general problem of the dynamic behavior (elastic or plastic) of car motion. Using particle modeling of the car body it is shown that large rotations, contact friction and plastic deformations can be computed. Because of the limitations of FEM it is necessary to model the car as a system of mass points connected by central force systems which are non-linear. The wall is formulated as a rigid body producing constraints for the contacting particles, while the contact force is given by the defined force system. Every contacting particle produces a plastic impact on the wall. The friction force is proportional to the contact force and lies in the direction of the sliding velocity on the wall. Time integration is carried out using a second order Gear method. ((orig.))

Energy Technology Data Exchange (ETDEWEB)

Using a quasi-static approach valid for Stefan numbers less than one, we derive approximate equations governing the movement of a phase change front for materials which generate internal heat. These models are applied for both constant surface temperature and constant surface heat flux boundary conditions, in cylindrical, spherical, plane wall and semi-infinite geometries. Exact solutions with the constant surface temperature condition are obtained for the steady-state solidification thickness using the cylinder, sphere, and plane wall geometries which show that the thickness depends on the inverse square root of the internal heat generation. Under constant surface heat flux conditions, closed form equations can be obtained for the three geometries. In the case of the semi-infinite wall, we show that for constant temperature and constant heat flux out of the wall conditions, the solidification layer ...

Science.gov (United States)

Protein isolated from hen egg-white and functions as a bacteriostatic enzyme by degrading bacterial cell walls. First enzyme ever characterized by protein ...

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A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

International Nuclear Information System (INIS)

The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author).

British Library Electronic Table of Contents (United Kingdom)

The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...

International Nuclear Information System (INIS)

Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.

International Nuclear Information System (INIS)

The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

UK PubMed Central (United Kingdom)

Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of ¹H Larmor frequency from 10 kHz to 30...Full Text Available

UK PubMed Central (United Kingdom)

We describe a novel ¹³C enriched precursor molecule, sodium 1-¹³C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available

UK PubMed Central (United Kingdom)

The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available

Science.gov (United States)

Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...

UK PubMed Central (United Kingdom)

Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available

UK PubMed Central (United Kingdom)

On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available

UK PubMed Central (United Kingdom)

The neonatal Fc receptor FcRn provides IgG molecules with their characteristically long half-lives in vivo by protecting them from intracellular catabolism and then returning them to...Full Text Available

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available

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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

UK PubMed Central (United Kingdom)

The bulk alignment of actin filament sliding movement, powered by randomly oriented myosin molecules, has been observed and studied using an in vitro motility assay. The well established,...Full Text Available

UK PubMed Central (United Kingdom)

Microglia provide immune surveillance for the brain through both the removal of cellular debris and protection against infection by microorganisms and “foreign” molecules. Upon...Full Text Available

UK PubMed Central (United Kingdom)

E-cadherin is the primary cell adhesion molecule within the epithelium, and loss of this protein is associated with a more aggressive tumour phenotype and poorer patient prognosis in many cancers. Loss...Full Text Available

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Exosomes are small membrane vesicles secreted from various types of cells. Tumor-derived exosomes contain MHC class I molecules and tumor-specific antigens, receiving attention as a potential cancer...Full Text Available

UK PubMed Central (United Kingdom)

In regions of high bone loading, the mechanoresponsive osteocytes inhibit osteoclastic bone resorption by producing signaling molecules. One possible candidate is matrix extracellular phosphoglycoprotein...Full Text Available

UK PubMed Central (United Kingdom)

The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available

UK PubMed Central (United Kingdom)

Supercoiled double-stranded DNA molecules (plasmids) were isolated from plants infected with three laboratory strains of western aster yellows mycoplasma-like organism (AY-MLO) by using cesium chloride-ethidium...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Progress is reported in the following subject areas: (1) chemistry of the arogenate molecule; (2) plant enzymology at the organismal level; (3) isolation of regulatory mutants in tobacco; and (4) stability of the haploid state in Nicotiana sylvestris.

UK PubMed Central (United Kingdom)

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

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Explosives molecules have a number of unique properties. These properties are discussed. They include low vapor pressures, electronegativity, ''stickiness,'' frangibility, and thermal instability. The program for developing an advanced explosives detector is described.

UK PubMed Central (United Kingdom)

The p21-activated kinases (PAKs), immediate downstream effectors of the small G-proteins of the Rac/cdc42 family, are critical mediators of signaling pathways regulating cellular behaviors and...Full Text Available

UK PubMed Central (United Kingdom)

A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available

UK PubMed Central (United Kingdom)

The malaria parasite Plasmodium falciparum utilizes molecules present on the surface of uninfected red blood cells (RBC) for rosette formation, and a dependency on ABO antigens has...Full Text Available

UK PubMed Central (United Kingdom)

Tetherin (BST2/CD317) has been recently recognized as a potent interferon-induced antiviral molecule that inhibits the release of diverse mammalian enveloped virus particles from infected cells. By...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundNormal and pathological processes entail the production of oxidative substances that can damage biological molecules and harm physiological functions. Organisms have evolved...Full Text Available

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

The primary method for neuronal communication involves the extracellular release of small molecules that are packaged in secretory vesicles. We have developed a platform to separate, lyse, and...Full Text Available

Science.gov (United States)

The change in concentrations of elements due to transmutations resulting from neutron irradiation in the first wall of the ARIES-IV conceptual fusion energy device were determined as a function of neutron dose. SiC burns out at a rate of about 0.5% per effective full power year. The largest impurity concentration is that of He, but several other elements burn in at rates of hundreds of appm/efpy.

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In this work, the thermal performance of a conventional collector is improved by inserting porous substrates at the inner walls of the collector tubes. The porous substrates improve the convective heat transfer coefficient between the tube wall and the fluid. This improvement is investigated numerically and its effects on the efficiency and the useful gain of the collector are evaluated. It is found that inserting the porous substrate may raise the collector efficiency considerably, especially at high values of the overall heat loss coefficient.

Wastenet

...direct-injection systems Atomisation from hole-type nozzles (gasoline and diesel) under cavitating flow conditions Spray-wall interaction in gasoline direct injection engines Spray-wall interaction in direct-injection diesel engines Evaporation of multi-component fuels Cavitation in diesel injectors Nozzle flow, air motion, spray development and combustion in marine diesel engines ...

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We report on the fouling of Focused Ion Beam (FIB)-fabricated silicon oxide nanopores after exposure to tap water for two weeks. Pore clogging was monitored by Scanning Electron Microscopy (SEM) on both bare silicon oxide and chemically functionalized nanopores. While fouling occurred on hydrophilic silicon oxide pore walls, the hydrophobic nature of alkane chains prevented clogging on the chemically functionalized pore walls. These results have implications for nanopore sensing platform design.

International Nuclear Information System (INIS)

Small scale mock-ups of the primary first wall, the baffle first wall, the shield block and a partial model for the edge of the primary first wall module were designed and fabricated incorporating most of the key design features of the ITER shielding blanket. All mock-ups featured the DSCu heat sink, the built-in SS coolant tubes within the heat sink and the SS shield block. CFC tiles was used as the protection armor for the baffle first wall mock-up. The small scale shield block mock-up, integrated with the first wall, was designed to have a poloidal curvature specified in the ITER design. Fabrication routes of mock-ups were decided based on the single step solid HIP of DSCu/DSCu, DSCu/SS and SS/SS reflecting the results of previous joining techniques development and testing. For attaching the CFC tiles onto DSCu heat sink in the fabrication of the baffle first ...

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A side terminal battery is described comprising: a casing having a side wall made from a moldable material; and a plug formed of relatively deformable, electrically conductive, corrosion resistant material molded into the side wall to form a seal between the interior and exterior of the casing and including a battery terminal insert embedded therein so as to be exposed at the exterior of the casing and isolated, by the plug, from the interior of the casing.

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Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

British Library Electronic Table of Contents (United Kingdom)

A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.

British Library Electronic Table of Contents (United Kingdom)

Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

Science.gov (United States)

The total area ( s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids ( V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

Science.gov (United States)

Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.

International Nuclear Information System (INIS)

The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.

International Nuclear Information System (INIS)

Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...

Energy Technology Data Exchange (ETDEWEB)

Device for separating and collecting ultrafine atomized powder from the gas stream of a gas atomizing apparatus comprises a housing having an interior wall oriented at an angle relative to horizontal so as to form a downwardly converging, conical expansion chamber, an inlet conduit communicated to the expansion chamber proximate an upper region thereof for receiving the gas stream, and an outlet proximate a lower region of the expansion chamber. The inlet conduit is oriented at a compound inclined angle (with respect to horizontal) selected to promote separation and collection of powder from the gas stream in the expansion chamber. The compound angle comprises a first entrance angle that is greater than the angle of repose of the powder on the housing interior wall such that any powder accumulation in the inlet conduit tends to flow down the wall toward the outlet. The second angle is selected generally equal to the angle ...

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Presented in this paper is the transient analysis of a Group Distribution Header (GDH) following a guillotine break at the end of the header. The GDH is the most important component of reactor safety in case of accidents. Emergency Core Cooling System (ECCS) piping is connected to the GDH piping such that, during an accident, coolant passes from the GDH into the ECCS. The GDH that is propelled into motion after a guillotine break can impact neighboring GDH pipes or the nearest wall of the compartment. Therefore, two cases are investigated: GDH impact on an adjacent GDH and its attached piping; and GDH impact on an adjacent reinforced concrete wall. A whipping RBMK-1500 GDH along with neighboring concrete walls and pipelines is modeled using finite elements. The finite element code NEPTUNE used in this study enables a dynamic pipe whip structural analysis that accommodates large displacements and nonlinear material ...

International Nuclear Information System (INIS)

Research highlights: #-># Morphological and chemical characterization at atomic scale of porous alumina layers anodised in ordered regimes. #-># Characterization based on the use of FEG-SEM, STEM-HAADF, STEM-EELS and STEM-X-EDS. #-># Nanoscale distribution of P-, C- and S-bearing species in the pore wall. - Abstract: Ordered porous alumina layers prepared by two-step anodising in phosphoric, oxalic and sulphuric acids have been characterized at sub-nanometer scale using electron microscopy techniques. FEG-SEM and STEM-HAADF images allowed estimating the pore size, cell wall and pore wall thicknesses of the layers. Nanoanalytical characterization has been performed by STEM-EELS and STEM-X-EDS. Detailed features of the spatial distribution of anions in the pore wall of the films have been obtained. Maximum concentration of P-species occurs, approximately, at the middle of the pore ...

International Nuclear Information System (INIS)

A nonlinear mathematical model is presented of a WWER-440 nuclear power plant horizontal steam generator. On the proposed model is based a computer program for investigating transients in steam generators during loss of coolant accidents. Processes taking place at the primary side of the steam generator are described by a set of partial differential equations while those at the secondary side of the steam generator are described by plain differential equations with the variables being complex time functions. The model takes account of the coolant as both a single- and two-phase medium, of changes in the direction of the primary coolant flow and of changes in the direction of heat transfer. Heat transfer through the wall is based on a simple model of heat transfer through a thin-walled tube and includes a correction for the heat resistance of the wall. (author).

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A new kind of receiver-reactor for high-temperature solar furnaces is proposed. The main body of the receiver component is an ellipsoid of revolution with specularly reflecting inner walls. The reactor component, a crucible, is placed at one focal point and the aperture at the other. With this arrangement, substantially all of the incident radiation from the concentrator should reach the reactor directly or after one reflection from the cavity walls. An analysis of the radiative exchange among the surfaces is presented. The analysis provides a tool for a parametric study and optimization of the design. It is found that, in contrast to that of conventional well-insulated cavity receivers, its collection efficiency is not very sensitive to the size of its aperture.

Science.gov (United States)

In this paper, four different types of pulsed eddy current (PEC) probe are designed and their performance of detecting wall thickness reduction is compared. By using the backward difference method in time and the finite element method in space, PEC signals from various thickness and materials are numerically calculated and three features of the signal are selected. Since PEC signals and features are obtained by various types and sizes of probe, the comparison is made through the normalized features which reflect the sensitivity of the feature to thickness reduction. The normalized features indicate that the shielded reflection probe provides the best sensitivity to wall thickness reduction for all three signal features. Results show that the best sensitivity to thickness reduction is achieved by the peak value, but also suggest that the time to peak can be a good candidate because of its linear relationship with the thickness variation.

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The evaluation of calculated values determined by means of the equations given in the TRD 300/301 standard resulted in two nomographs by which it is possible to find the theoretical wall thickness of cylinder shells without cutouts and branches as well as cylinder shells with an inclined or vertical single branch without additional thickening. The equations for the calculation of cylinder shells with an inclined single branch according to TRD 301 having only an iterative solution, the nomographs will be a considerable help for the engineering work. The determination of the theoretical wall-thickness from the nomographs is demonstrated by means of examples.

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Lateral plume dispersion in deep river valleys during neutral and stable lapse rate conditions can be exceptionally high due to the intense horizontal turbulence generated by prominent variations in the width, orientation and surface roughness of the valley walls. Use of the standard Gaussian dispersion equation to represent this enhanced lateral plume spread in a narrow valley may be inappropriate since consideration should also be given to the restriction of the horizontal plume spread due to impingement against the valley walls. The basic concept employed in the modification of the Gaussian dispersion equation was to assume that multiple eddy reflections occur between the valley walls in a manner similar to the vertical eddy reflections between the ground plane and an inversion layer aloft. The expressions are developed, but no attempt has been made to validate them with actual measured field data. 4 references, 3 ...

Science.gov (United States)

The local heat transfer coefficient distribution of a square channel with two opposite ribbed walls was determined. The square channel was connected to a sudden contraction entrance in order to simulate the inlet condition of the turbine blade cooling passages. The test channel was heated by thin stainless steel foils with a thickness of 0.000025 m, and instrumented with 180 thermocouples. The brass ribs of a square cross-section were glued periodically, in line, onto the top and bottom walls of the foil-heated channel in patterns to achieve the desired spacing and angle-of-attack. The local heat transfer coefficients on the smooth side and the ribbed side walls, at the channel entrance and the downstream regions, were measured for eight rib configurations and three Reynolds numbers (Re = 10,000, 30,000, and 60,000).

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In order to develop the filler metal for Hastelloy alloy XR structure with thick wall, the weldability and high temperature strength properties of Hastelloy alloy XR weldment were investigated using the filler metals, which were alloy-designed on the basis of multiple regression analysis. The former was examined through the chemical analysis in the deposited metal, bend test, FISCO cracking test, optical microscopy and hardness measurement. The latter was investigated by means of tensile and creep test. It was found from these results that the crack susceptibility in the weldment was apparent to be lowered without degrading the high temperature strength properties. Therefore, it is concluded that these filler metals possess excellent performance as the filler metal for Hastelloy alloy XR structure with thick wall. (author).

International Nuclear Information System (INIS)

The distribution of the central benzodiazepine receptor specific ligand iodine-123 iomazenil was investigated in seven human adults from whole-body scans, blood samples and urine collected up to 24 h after injection. Using 12 source organs, the MIRD method was applied to calculate the absorbed radiation dose of the radioligand in various organs. The urinary bladder wall (0.15 mGy/MBq), lower large intestinal wall (0.071 mGy/MBq) testes (0.044 mGy/MBq) and upper large intestined wall (0.038 mGy/MBq) received the highest absorbed doses. The average effective dose equivalent of "1"2"3I-IBZM for adults was estimated to be 0.033 mSv/MBq. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A dielectric-wall linear accelerator is improved by a high-voltage, fast rise-time switch that includes a pair of electrodes between which are laminated alternating layers of isolated conductors and insulators. A high voltage is placed between the electrodes sufficient to stress the voltage breakdown of the insulator on command. A light trigger, such as a laser, is focused along at least one line along the edge surface of the laminated alternating layers of isolated conductors and insulators extending between the electrodes. The laser is energized to initiate a surface breakdown by a fluence of photons, thus causing the electrical switch to close very promptly. Such insulators and lasers are incorporated in a dielectric wall linear accelerator with Blumlein modules, and phasing is controlled by adjusting the length of fiber optic cables that carry the laser light to the insulator surface. 12 figs.

Science.gov (United States)

The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A ...

Energy Technology Data Exchange (ETDEWEB)

Decay processes of H{sub 2}{sup -} anions in {gamma}-rays-irradiated solid parahydrogen were studied by using ESR spectrometer. The following interesting results were obtained. First, the initial amount of ortho-H{sub 2}{sup -} anions in the {gamma}-irradiated solid parahydrogen was three times as large as those of para-H{sub 2}{sup -} anions. Second, the amount of para-H{sub 2}{sup -} anions decreases faster than that of ortho-H{sub 2}{sup -} anions upon storage of the irradiated samples at 4.2 K. Third, the decay rate of H{sub 2}{sup -} anions is accelerated by the addition of D{sub 2} molecules. Forth, H{sub 2}{sup -} anions at 2.2 K decay faster than at 4.2 K. According to the parity conservation rule in a homonuclear diatomic molecule, the energy of ortho-H{sub 2}{sup -} anions at the ground state is lower than that of para-H{sub 2}{sup -} anions, whereas that of ortho-H{sub 2} molecules is higher than that of ...

Energy Technology Data Exchange (ETDEWEB)

The wavenumber-frequency spectral densities of turbulent wall pressure fluctuations are investigated over a rigid flat plate. Nonlinear Reynolds stress terms of the inhomogeneous Orr-Sommerfeld equation are regarded as a known forcing function. The forcing function is modeled after Bark{close_quote}s hydrodynamic bursting formulation. The inhomogeneous Orr-Sommerfeld equation is solved by the method of Eckhaus in terms of discrete homogeneous solutions. The method of Eckhaus is then extended and proved for the continuous Orr-Sommerfeld eigenfunctions. Turbulent wall pressure fluctuations in terms of wavenumber-frequency spectral densities are numerically computed and compared to the experimental results of Martin as well as to his transformation of Blake{close_quote}s data fitted to a modified Corcos model. The wavenumber-frequency spectral densities numerically computed from the discrete eigenfunctions compared well with Martin{close_quote}s ...

UK PubMed Central (United Kingdom)

Dominant mutations in sarcomere protein genes cause hypertrophic cardiomyopathy, an inherited human disorder with increased ventricular wall thickness, myocyte hypertrophy, and disarray. To understand...Full Text Available

UK PubMed Central (United Kingdom)

Partial bladder outlet obstruction (PBOO) induces remodeling of urinary bladder smooth muscle (detrusor). We demonstrate an increase in bladder wall mass, muscle bundle size, and a threefold increase...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The author describes the layout of the environmental monitoring scheme at Devco's No. 26 Colliery in Canada, which includes wall face ventilation, fan performance, and methane drainage monitoring. He gives details of the sensors, outstations, and the surface control room.

UK PubMed Central (United Kingdom)

The properties of an atypical Brucella strain isolated from lymph node tissue of a cow slaughtered as a brucellosis reactor were examined. The organism was Gram negative and highly pleomorphic, existing...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In Canada, the cost of heating is a major expense in the operation of greenhouses in the winter season, inhibiting greenhouse production in winter months in most part of the country. Alternative energy sources, such as solar energy and biomass energy may offer an economically feasible heating alternative. A solar energy greenhouse technology developed in northern China for winter vegetable production has demonstrated good potential for Manitoba winter conditions. The design and performance of solar energy greenhouses depend on the geographical location. Therefore, in order to optimize the design of solar greenhouses with respect to the latitude of the location for maximum solar radiation gain, a theoretical analysis was performed that analyzed parameters such as greenhouse length and the roof slope. This paper described the methodology of the study, including a description of solar energy greenhouses; the energy of solar radiation; shading of the north roof; shading of the end ...

UK PubMed Central (United Kingdom)

BackgroundGastrointestinal stromal tumors (GISTs) are mesenchymal tumors that develop in the wall of the gastrointestinal tract and their diagnosis during pregnancy or puerperium...Full Text Available

UK PubMed Central (United Kingdom)

Unless relaxation of the stringent response is achieved, all nongrowing bacteria rapidly develop resistance to autolysis induced by a variety of agents, including all classes of cell wall synthesis...Full Text Available

Science.gov (United States)

Symplastic transport occurs between neighbouring plant cells through functionally and structurally dynamic channels called plasmodesmata (PD). Relatively little is known about the composition of PD or the mechanisms that facilitate molecular transport into neighbouring cells. While transmission electron microscopy (TEM) provides 2-dimensional information about the structural components of PD, 3-dimensional information is difficult to extract from ultrathin sections. This study has exploited high-resolution scanning electron microscopy (HRSEM) to reveal the 3-dimensional morphology of PD in the cell walls of algae, ferns and higher plants. Varied patterns of PD were observed in the walls, ranging from uniformly distributed individual PD to discrete clusters. Occasionally the thick walls of the giant alga Chara were fractured, revealing the surface morphology of PD within. External structures such as spokes, spirals and mesh ...

Science.gov (United States)

An experimental investigation of heat transfer characteristics for various configurations of air jets impinging on the leading edge inner surface of a gas turbine blade wall is presented. Three configurations were investigated, namely a slot jet, a round ...

UK PubMed Central (United Kingdom)

The objective of this study was to develop a specific immunological diagnostic assay for yellow disease in hyacinths, using monoclonal antibodies (MAbs). Mice were immunized with a crude cell wall preparation...Full Text Available

UK PubMed Central (United Kingdom)

The dental pulp consists of loose connective tissue encased in rigid dentinal walls. Because of its topography the tissue has low interstitial compliance and limited capacity to expand during fluid...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundWide resection with tumor-free margins is necessary in soft-tissue sarcomas to minimize local recurrence and to contribute to long-term survival. Information about treatment...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Cyclothiazomycin B1 (CTB1) is an antifungal cyclic thiopeptide isolated from the culture broth of Streptomyces sp. HA 125-40. CTB1 inhibited the growth of several filamentous fungi including plant pathogens along with swelling of hyphae and spores. The antifungal activity of CTB1 was weakened by hyperosmotic conditions, and hyphae treated with CTB1 burst under hypoosmotic conditions, indicating increased cell wall fragility. CTB1-sensitive fungal species contain high levels of cell wall chitin and/or chitosan. Unlike nikkomycin Z, a competitive inhibitor of chitin synthase (CHS), CTB1 did not inhibit CHS activity. Although CTB1 inhibited CHS biosynthesis, the same result was also obtained with a non-specific proteins inhibitor, cycloheximide, which did not reduce cell wall rigidity. These ...

UK PubMed Central (United Kingdom)

The incidence of arrhythmias after acute myocardial infarction of the inferior wall varies with the affected segment and increases when there is right ventricular involvement. This paper provides a...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Hollow needles made of an electrically conducting material are attached by hinges in the openings of the perforated end of an insert in order to intensify heat and mass transfer. The free sections of the needles are placed outside the insert, and a wick is placed on the wall of the frame in the condensation area. The wick overlaps the inlet openings of the insert.

Energy Technology Data Exchange (ETDEWEB)

A safety analysis code to design a pressurized water reactor and to obtain the licenses including entire proprietary rights is under development in domestic R and D project. The tasks of KAERI is to develop the constitutive relations including models for defining flow regimes and flow regime related models for inter-phase friction, wall frictions, wall heat transfer, and interphase heat and mass transfer in the two-phase three-field equations. In this paper, the process will be presented for choosing the best flow regime maps which occur in gas-liquid two-phase flow in horizontal and vertical tubes.

CERN Document Server

Charged particle beams in circular accelerators couple with their surroundings through induced electromagnetic fields. This interaction can be described by so-called coupling impedances. In the frequency domain the impedance in connection with the bunch spectrum allows for stability analysis and estimates. However, for simulation codes one usually needs the wakefunction, the equivalent of the impedance in time domain. Recently the transverse impedance of a cylindrical pipe with arbitrary surface impedance was given by L. Vos. An expression for the wakefunction of this transverse resistive wall impedance with inductive bypass is derived here.

International Nuclear Information System (INIS)

Natural convection of vaporizing Deuterium at 25 K transports the heat generated in the moderator cell of the cold neutron source to a He cooled condenser. The thermohydraulics of this thermosiphon were precalculated and the results verified by experiments in a 1:1 model using D_2 as fluid. The experimental results show that the thermosiphon operates stable. The demanded liquid content of the cell as well as wall temperatures below 50 K can be ensured by a proper design of the cell outlet flow geometry. A 7 min. loss of cryogenic power results in transient temperatures of the cell wall of not more than 300 K.

Energy Technology Data Exchange (ETDEWEB)

Twenty-seven patients with symptoms or clinical findings suggesting joint or bone disorders of the anterior chest wall (ACW) were evaluated by spiral CT with 3-dimensional (3-D) and multiplanar reconstructions. Preceding conventional ACW tomography was performed in 10 patients. ACW joint and bone changes were visualized more adequately by coronal 2-D reconstructions based on spiral CT than by conventional tomography. In addition, nonossified costal cartilages and soft tissue lesions were demonstrated. 3-D reconstructions sometimes added information, especially in patients with fracture and dislocation. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A flow field and particle trajectory in a HDD (Hard Disk Drive) between two rotating disks in axisymmetric enclosures is investigated using CFD code FLUENT/UNS. The RNG k-{epsilon} model is used as a turbulent model. In this study, the flow field between two disks are symmetric, and the flow field near the enclosure is very complex. Cross stream vectors are shown both for blowing and no blowing from the hub. The larger a particle, the more fast the particle deposits at the walls. In the case of blowing from the hub, the more fast the particle deposits at the walls. (author). 9 refs., 12 figs., 1 tab.

International Nuclear Information System (INIS)

The biodegradation of ring-"1"4C- and methyl-"1"4C-labeled paraquat by the soil yeast Lipomyces starkeyi was studied in vitro. It was found that the degradation of paraquat (acting as a sole source of culture nitrogen) resulted in the accumulation in the extracellular medium of radiolabeled acetic acid. The culture also evolved radiolabeled CO_2. The results suggest that the degradation of paraquat by L. starkeyi is associated with the integrity of the cell wall and that disruption or removal of the wall results in a complete loss of degradative capability. A mechanism for the degradation of paraquat by this organism is postulated.

Energy Technology Data Exchange (ETDEWEB)

This reports is a literature survey on models and correlations for determining flow pattern that are used to simulate thermal-hydraulics in nuclear reactors. Determination of flow patterns are a basis for obtaining physical values of wall/interfacial friction, wall/interfacial heat transfer, and droplet entrainment/de-entrainment. Not only existing system codes, such as RELAP5-3D, TRAC-M, MARS, TRACE, CATHARE) but also up-to-date researches were reviewed to find models and correlations

International Nuclear Information System (INIS)

Analytical solutions are derived for a flow in a semi-infinite vertical porous medium with heat and mass transfer. When the temperature and mass concentration are uniform a constant pressure is possible and sustains a fully developed flow. Thereafter there is a small perturbation on the wall temperature and concentration and the subsequent two-dimensional problem is tackled for a large Prandtl number, free convection parameters and small Reynolds number. The heat transfer rate at the wall is discussed quantitatively. (author). 4 refs.

International Nuclear Information System (INIS)

A safety analysis code, named as SPACE, for a pressurized water reactor is under development to obtain a licensing to be used for the PWR design and to hold entire proprietary rights. The task of KAERI is to develop the physical models and correlations which are required to solve the field equations. It can be divided into four parts; i) flow regime determination, ii) wall heat transfer, iii) wall and interfacial friction, iv) interfacial heat and mass transfer. This paper will describe the process to develop the models for the two-phase flow regime maps in the horizontal and vertical pipes.

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

Alpha particle confinement is necessary for ignition of a D-T tokamak fusion plasma and for first wall protection. Due to high radiation backgrounds and temperatures, scintillators and semiconductor detectors may not be used to study alpha particles which are lost to the first wall during the D-T programs on JET and ITER. An alternative method of charged particle spectrometry capable of operation in these harsh environments, is proposed: it consists of thin foils of electrically isolated conductors with the flux of alpha particles determined by the positive current flowing from the foils. 2 refs., 3 figs.

Energy Technology Data Exchange (ETDEWEB)

An anaerobic fermenter-decanter for the purification of residual water from the sugar industry, with recovery of methane, consists of a tank with inclined walls, with a central agitator on a vertical shaft. A flexible cover anchored by its periphery to the walls of the tank and totally submerged forms a collecting pocket for the fermentation gases. The water to be purified is introduced, after being heated to about 35, towards the bottom of the tank near the agitator. A metal collecting bell with submerged edges and with the shaft of the agitator passing axially through it is connected by its edges to a central opening of the cover. The purification yields may exceed 90%.

Science.gov (United States)

Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements ...

Energy Technology Data Exchange (ETDEWEB)

The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule ...

Science.gov (United States)

Enthalpy relaxation properties of the ethylene glycol (EG) aqueous solutions confined within silica-gel void spaces of 1.1 nm in the average void thickness and 6, 12 and 52 nm in their average diameters were examined by an adiabatic calorimetry to understand the glass transition behavior of the solutions and the rearrangement processes of the molecules. The glass transition temperature Tg of EG was found to decrease with adding the water molecules which are mobile under the condition lacking in the full hydrogen-bond network. Meanwhile, the Tg in the water-rich region showed a rise towards pure water; after a phase separation in a 25 mol% (x = 0.25) EG solution, the Tg was 160 K which was higher than that derived by extrapolating the composition dependence to pure water. The Tg = 160 K is the same as observed in the pure water confined within 1.1 nm voids; this indicates the validity of the interpretation that the glass transition at 160 K of ...

Energy Technology Data Exchange (ETDEWEB)

The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst ...

Science.gov (United States)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...

International Nuclear Information System (INIS)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints some deuterium ...

International Nuclear Information System (INIS)

A magnetic measuring technique, which sorts out defects according to a distribution function n, was used to study the influence of electron irradiation on 50-50 NiFe. The distribution function is determined in terms of the maximum force f/subm/ that a defect can exert on a forward moving domain wall, or equivalently, the range z_0, which is the distance the mean position of the wall may move past the defect before the wall snaps free from the pinning action of the defect. The range and maximum force are related by a spring constant k, viz., f/subm/=kz_0. The quantity n (z_0) dz_0 gives the number of defects per unit volume having a range between z_0 and z_0+dz_0. Distribution functions were determined before and after electron irradiation. The irradiation was for 100 min with 18-MeV electrons with a dose of 1.1times10"1"7 e/cm"2. Following irradiation, there was a substantial decrease in the number of short-range defects ...

International Nuclear Information System (INIS)

In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.

Energy Technology Data Exchange (ETDEWEB)

In virtually all forms of life on earth, proteins in each cell are made according to a genetic blueprint, in the form of DNA. The translation of copies of this genetic blueprint (in the form of messenger RNA) into polypeptides is performed on the ribosome, a highly complex molecular machine composed of RNAs and proteins. To this end, special adaptor molecules called transfer RNAs are lined up by the ribosome in the sequence dictated by the genetic code, such that the amino acids carried by these molecules can be linked into a polypeptide. Several cofactors are involved in these processes, some of which require energy freed up by GTP hydrolysis. Although the ribosome was discovered more than 50 years ago, its structure has only been solved recently by X-ray crystallography. Another technique, cryo-electron microscopy, is starting to contribute toward our understanding of the ribosome's function, by portraying its conformational changes ...

Energy Technology Data Exchange (ETDEWEB)

The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

International Nuclear Information System (INIS)

A brief survey is presented of the methods of preparation and of the applications of radiopharmaceuticals labelled with short-lived positron radionuclides "1"1C, "1"8F, "1"3N and "1"5O which, thanks to their energy level schemes, short half-life and the 511 keV photon radiation energy are almost ideal tracers in modern nuclear medicine and pharmacology. In conjunction with computerized tomography, they represent one of the most sensitive diagnostic imaging methods, the so-called positron emission tomography. In addition, their incorporation in the molecule of a pharmaceutical does not change the biological and chemical properties of the original molecule unlike those of radiopharmaceuticals labelled with technetium, iodine, etc. (author). 125 refs.

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

British Library Electronic Table of Contents (United Kingdom)

The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.

International Nuclear Information System (INIS)

The separation and the mechanism of retention of ion associates of #alpha#-isomers of molybdic and tungstic heteropoly acids (HPA) of phosphorus(5), silicon(4), and germanium(4) with trioctylamine (TOA) on a column (80x3 mm) packed with Diasorb-130-CN (8 #mu#m) were studied in a flow of chloroform-tetrahydrofuran (THF) and chloroform-n-butanol-TOA mixtures with spectrophotometric detection at 320 nm. It is demonstrated that the adsorption of all the studied ion associates proceeds through the displacement THF molecule from the surface of the stationary phase and without the displacement of TOA molecules. Conditions for the separation of phospho- and silicomolybdic HPA and also phospho- and germanolybdic HPA were found. The chromatographic system using silica gel modified with nitrile groups as the stationary phase is of higher selective than that using ummodified silica gel.

CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

British Library Electronic Table of Contents (United Kingdom)

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...

Energy Technology Data Exchange (ETDEWEB)

Organic/metal interface properties are of high interest for the application of molecular (sub)monolayers to modify surface properties. They are applied for, e.g., molecular electronics, chemical sensing, or the tuning of injection barriers in organic electronic devices. We present a joint theoretical and experimental study of F{sub 4}TCNQ adsorbed on Cu(111). The electronic and structural properties were determined by ultraviolet photoelectron spectroscopy (UPS) and X-ray standing wave (XSW) measurements. To better understand the complex process of binding, we modelled the system using density-functional theory. We find forward-donation from the lone pairs of the molecule into metallic states and back-donation from the metal into the LUMO of the molecule. The data on Cu(111) are compared to F4TCNQ on Au(111) and Ag(111) as well as to investigations of pyrenetetraone on various coinage metals.

British Library Electronic Table of Contents (United Kingdom)

Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...

International Nuclear Information System (INIS)

A variable gene delivery system has been developed based on conjugating chitosan to biotin through a functionalized poly(ethylene glycol) (PEG) spacer, which can be used to further bind different molecules on the outer layer of a polymer/DNA complex by streptavidin (SA)-biotin linkage. In this study, TAT-conjugated SA was used as the model molecule to prove the conjugation function of the prepared complex. In addition, low-molecular-weight poly(ethyleneimine) (PEI) was added into the polymer/DNA complex to increase the transfection efficiency. The results of the luciferase assay show that the transfection efficiency of the prepared complex was significantly correlated with the amount of PEI and was further enhanced when TAT was conjugated to the complex by SA-biotin linkage. Considered to have negligible cytotoxic effects, the variable gene delivery complex prepared in this study would be of considerable potential as carriers for in vitro ...

International Nuclear Information System (INIS)

The time dependence of negative corona current I, called by Gagarin like 'relaxing of CV-characteristics', is a observed phenomena. The observed phenomena was explained by two theoretical models considering the ion-molecule and chemical reactions in the negative corona discharges in air, especially the ozone production. In the presented paper the discrepancies of above mentioned models, re-examination the earlier experimental data and presumptions used in models in a light the latest experimentally confirmed facts are discussed.

UK PubMed Central (United Kingdom)

The management of CNS tumors is limited by the blood-brain barrier (BBB), a vascular interface that restricts the passage of most molecules from the blood into the brain. Here we show that phage particles...Full Text Available