WorldWideScience
1

EPR, optical, infrared and Raman studies of VO"2"+ ions in polyvinylalcohol films  

International Nuclear Information System (INIS)

Electron paramagnetic resonance (EPR), optical, infrared and Raman spectral studies have been carried out on vanadyl ions doped in polyvinylalcohol (PVA) films. The spin-Hamiltonian parameters (g and A) and the molecular orbital coefficients (#beta#_2"*"2 and k) have been evaluated. The values of spin-Hamiltonian parameters confirm that the vanadyl ions are present in PVA films as VO"2"+ molecular ions in an octahedral site with a tetragonal compression (C_4_v). The temperature variation EPR studies reveal that the variation of number of spins with temperature is in accordance with Boltzmann law. It is interesting to observe that the variation of susceptibility with temperature obeys Curie-Weiss law. The FT-IR and FT-Raman spectrum exhibits few bands, which are attributed to O-H, C-H, C-C and C-O groups of stretching and bending vibrations. The optical absorption spectrum exhibits two bands, which are ...

2007-01-15

2

Determination of Scaling Parameter and Dynamical Resonances in Complex-Rotated Hamiltonian II: Numerical Analysis  

International Nuclear Information System (INIS)

This paper is concerned with the determination of a unique scaling parameter in complex scaling analysis and with accurate calculation of dynamics resonances. In the preceding paper we have presented a theoretical analysis and provided a formalism for dynamical resonance calculations. In this paper we present accurate numerical results for two non-trivial dynamical processes, namely, models of diatomic molecular predissociation and of barrier potential scattering for resonances. The results presented in this paper confirm our theoretical analysis, remove a theoretical ambiguity on determination of the complex scaling parameter, and provide an improved understanding for dynamical resonance calculations in rigged Hilbert space.

2008-03-15

3

Computer simulation of interface potentials: Towards a first principle description of complex interfaces?  

British Library Electronic Table of Contents (United Kingdom)

We discuss the feasibility of a hierarchical protocol whereby the description and prediction of adsorbed fluids in confined systems at the mesoscopic scale is achieved by use of interface potentials that are obtained from raw molecular simulation data. Starting from a microscopic description of a fluid?s interface on a flat substrate, we attempt to extract the minimum information that is required in order to predict the behavior of that fluid at larger length scales from coarse grained surface Hamiltonians. A critical assessment of this procedure hinges on controversial aspects of wetting behavior and more generally on the meaning of metastability and instability of thermodynamic systems.

2011-01-01

5

Hamiltonian BRST formalism for gauge-invariant systems with closed algebra  

International Nuclear Information System (INIS)

The systems for which the algebra of gauge transformations in the lagrangian formalism is closed, are considered. The hamiltonian BRST charge and the BRST-invariant hamiltonian are found explicitly. Their expansions in powers of the ghost variables contain, in general, an infinite number of terms. (orig.).

1991-11-01

6

The projector augmented wave method: A fast all-electron procedure for the ab-initio molecular dynamics  

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy ...

7

Full Spin and Spatial Symmetry Adapted Technique for Correlated Electronic Hamiltonians: Application to an Icosahedral Cluster  

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space ...

2010-01-01

8

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O_2 molecule  

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...

9

B-spline methods for radial Dirac equations  

International Nuclear Information System (INIS)

Although B-spline techniques have been used to solve two-point boundary value problems with Dirac Hamiltonians for more than 20 years, the treatment of boundary conditions is still a matter of controversy. Spurious, non-physical, solutions are endemic when boundary conditions are not handled correctly. These pathological problems are absent when traditional finite difference methods are used as in computer packages such as GRASP. Accurate approximation using both finite differences and B-splines depends on controlling local approximation errors, and this common property suggests no a priori reason to suppose that B-spline algorithms should be more prone to generate spurious solutions. The relativistic Bloch operators of [24], when added to the Dirac differential operator, permit the construction of a self-adjoint differential operator for the two-point boundary value problem on a finite interval. Approximate solution of this problem exploiting the properties of ...

2009-03-14

10

Hamiltonian formulation of the N=1 D=10 supergravity coupled to super Yang-Mills theory  

Energy Technology Data Exchange (ETDEWEB)

The authors derive in full details the Hamiltonian formulation of the N = 1D = 10 supergravity coupled to super Yang-Mills theory. In particular, they present the explicit form of the first class constraints and compute the constraints gauge algebra.

1988-01-01

11

Vacuum structures in Hamiltonian light-front dynamics  

Energy Technology Data Exchange (ETDEWEB)

Hamiltonian light-front dynamics of quantum fields may provide a useful approach to systematic nonperturbative approximations to quantum field theories. The authors investigate inequivalent Hilbert-space representations of the light-front field algebra in which the stability group of the light front is implemented by unitary transformations. The Hilbert space representation of states is generated by the operator algebra from the vacuum state. There is a large class of vacuum states besides the Fock vacuum which meets all the invariance requirements. The light-front Hamiltonian must annihilate the vacuum and have a positive spectrum. Relations are exhibited of the Hamiltonian to the nontrivial vacuum structure. 30 refs.

1994-03-01

12

Rotational band-structures in transitional odd-A nuclei  

International Nuclear Information System (INIS)

... deformed nuclei eigenvalues even-odd nuclei gold 195 hamiltonians iridium

13

Minimal Polynomials of Some Matrices Via Quaternions  

CERN Document Server

This work provides explicit characterizations and formulae for the minimal polynomials of a wide variety of structured $4\\times 4$ matrices. These include symmetric, Hamiltonian and orthogonal matrices. Applications such as the complete determination of the Jordan structure of skew-Hamiltonian matrices and the computation of the Cayley transform are given. Some new classes of matrices are uncovered, whose behaviour insofar as minimal polynomials are concerned, is remarkably similar to those of skew-Hamiltonian and Hamiltonian matrices. The main technique is the invocation of the associative algebra isomorphism between the tensor product of the quaternions with themselves and the algebra of real $4\\times 4$ matrices.

2010-01-01

14

Collective model for the odd-mass transitional nucleus "1"8"7Ir  

International Nuclear Information System (INIS)

... collective model hamiltonians iridium 187 matrix elements nuclear cores

1976-06-15

15

A new algebraic technique for polynomial-time computing the number modulo 2 of Hamiltonian decompositions and similar partitions of a graph's edge set  

CERN Document Server

In Graph Theory a number of results were devoted to studying the computational complexity of the number modulo 2 of a graph's edge set decompositions of various kinds, first of all including its Hamiltonian decompositions, as well as the number modulo 2 of, say, Hamiltonian cycles/paths etc. While the problems of finding a Hamiltonian decomposition and Hamiltonian cycle are NP-complete, counting these objects modulo 2 in polynomial time is yet possible for certain types of regular undirected graphs. Some of the most known examples are the theorems about the existence of an even number of Hamiltonian decompositions in a 4-regular graph and an even number of such decompositions where two given edges e and g belong to different cycles (Thomason, 1978), as well as an even number of Hamiltonian cycles passing through any given edge in a regular odd-degreed graph ...

2010-01-01

16

The canonical form of the Rabi hamiltonian  

CERN Document Server

The Rabi Hamiltonian, describing the coupling of a two-level system to a single quantized boson mode, is studied in the Bargmann-Fock representation. The corresponding system of differential equations is transformed into a canonical form in which all regular singularities between zero and infinity have been removed. The canonical or Birkhoff-transformed equations give rise to a two-dimensional eigenvalue problem, involving the energy and a transformational parameter which affects the coupling strength. The known isolated exact solutions of the Rabi Hamiltonian are found to correspond to the uncoupled form of the canonical system.

1996-01-01

17

The quasimolecular model in transitional nuclei  

International Nuclear Information System (INIS)

A review is made of some recent developments in the application of the Bohr Hamiltonian to transitional nulcei. The primary concern is to understand the advantages and limitations inherent to the basic model and its many variants. (author).

18

Solution of Bohr's collective Hamiltonian for transitional odd-mass nuclei  

International Nuclear Information System (INIS)

A numerically feasible method, based on the use of deformed phonons, is developed for the diagonalization of the collective quadrupole Hamiltonian for a system with an odd particle coupled to an anharmonic even core. Examples: the transition from prolate to oblate via #gamma#-unstable shapes and furthermore the hsub(9/2) spectra of the nuclei "1"8"7Ir and "1"9"7Tl. (Auth.).

19

Conformal field theories via Hamiltonian reduction  

International Nuclear Information System (INIS)

Constraining the SL(3) WZW-model we construct a reduced theory which is invariant with respect to the new chiral algebra W_3"2. This symmetry is generated by the stress-energy tensor, two bosonic currents with spins 3/2 and the U(1) current. We conjecture a Kac formula that describes the highly reducible representation for this algebra. We also discuss the quantum Hamiltonian reduction for the general type of constraints that leads to the new extended conformal algebras. (orig.).

1991-01-01

20

Bender-Dunne Orthogonal Polynomials, Quasi-Exact Solvability and Asymptotic Iteration Method for Rabi Hamiltonian  

International Nuclear Information System (INIS)

We present a method for obtaining the quasi-exact solutions of the Rabi Hamiltonian in the framework of the asymptotic iteration method (AIM). The energy eigenvalues, the eigenfunctions and the associated Bender-Dunne orthogonal polynomials are deduced. We show (i) that orthogonal polynomials are generated from the upper limit (i.e., truncation limit) of polynomial solutions deduced from AIM, and (ii) prove to have nonpositive norm. (authors)

2011-08-01

22

Isomorphisms of quantizations via quantization of resolutions  

CERN Document Server

In this paper we prove the existence of isomorphisms between certain non-commutative algebras that are interesting from representation theoretic perspective and arise as quantizations of certain Poisson algebras. We show that quantizations of Kleinian resolutions obtained by three different constructions are isomorphic to each other. The constructions are via symplectic reflection algebras, quantum Hamiltonian reduction, and W-algebras. Next, we prove that parabolic W-algebras in type A are isomorphic to quantum Hamiltonian reductions associated to quivers of type A. Finally, we show that the symplectic reflection algebras for wreath-products of the symmetric group and a Kleinian group are isomorphic to certain quantum Hamiltonian reductions. Our results involving W-algebras are new, while for those dealing with symplectic reflection algebras we just give new proofs. A key ingredient in our proofs is the study of ...

2010-01-01

23

Asymptotics and Hamiltonians in a First order formalism  

CERN Document Server

We consider 4-dimensional space-times which are asymptotically flat at spatial infinity and show that, in the first order framework, action principle is well-defined \\emph{without the need of infinite counter terms.} It naturally leads to a covariant phase space in which the Hamiltonians generating asymptotic symmetries provide the total energy-momentum and angular momentum of the space-time. We address the subtle but important problems that arise because of logarithmic translations and super-translations both in the Langrangian and Hamiltonian frameworks. As a forthcoming paper will show, the treatment of higher dimensions is considerably simpler. Our first order framework also suggests a new direction for generalizing the spectral action of non-commutative geometry.

2008-01-01

24

Spin operator matrix elements in the quantum Ising chain: fermion approach  

CERN Document Server

Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite length. The derivation is based on the approach recently used to derive factorized formula for Z_N-spin operator matrix elements between ground eigenstates of the Hamiltonian of the Z_N-symmetric superintegrable chiral Potts quantum chain. The obtained factorized formulas for the matrix elements of Ising chain coincide with the corresponding expressions obtained by the Separation of Variables Method.

2010-01-01

25

Quantum theory of the interaction of Josephson junctions with non-classical microwaves  

Energy Technology Data Exchange (ETDEWEB)

We present a study of the interaction between Josephson junctions in circular superconducting rings and non-classical microwaves, treating both quantum mechanically. A Hamiltonian that describes both inductive and capacitive coupling between the two systems is derived within the external field approximation. Other Hamiltonians which go beyond the external field approximation, and describe explicitly the interaction of the quantum circuit that produces the non-classical microwaves with the Josephson junction circuit, are also presented. A comparison between current experiments which use classical electromagnetic fields and the proposed experiments that use non-classical microwaves, is made. (orig.) With 6 figs., 32 refs.

1997-01-01

26

Description of odd-A nuclei in the Pt region in the interacting boson-fermion model  

Energy Technology Data Exchange (ETDEWEB)

Properties of unique parity states in odd-proton (/sub 77/Ir, /sub 79/Au) and odd-neutron nuclei (/sub 78/Pt) are investigated in the framework of the interacting boson-fermion approximation model. The core (boson)-particle (fermion) interaction is represented by a quadrupole-quadrupole interaction and an exchange term, which takes into account the effects of the Pauli exclusion principle. The even-even core nucleus is described in terms of the IBA-1 hamiltonian. The change in the properties of the corresponding odd-A nuclei can be interpreted in terms of a transition of the core hamiltonian between the O(6) and SU(3) limiting cases.

1982-05-03

27

Description of odd-A nuclei in the Pt region in the interacting boson-fermion model  

International Nuclear Information System (INIS)

Properties of unique parity states in odd-proton (_7_7Ir, _7_9Au) and odd-neutron nuclei (_7_8Pt) are investigated in the framework of the interacting boson-fermion approximation model. The core (boson)-particle (fermion) interaction is represented by a quadrupole-quadrupole interaction and an exchange term, which takes into account the effects of the Pauli exclusion principle. The even-even core nucleus is described in terms of the IBA-1 hamiltonian. The change in the properties of the corresponding odd-A nuclei can be interpreted in terms of a transition of the core hamiltonian between the O(6) and SU(3) limiting cases. (orig.).

28

A Hamiltonian Formulation of the BKL Conjecture  

CERN Document Server

The Belinskii, Khalatnikov and Lifshitz conjecture \\cite{bkl1} posits that on approach to a space-like singularity in general relativity the dynamics are well approximated by `ignoring spatial derivatives in favor of time derivatives.' In \\cite{ahs1} we examined this idea from within a Hamiltonian framework and provided a new formulation of the conjecture in terms of variables well suited to loop quantum gravity. We now present the details of the analytical part of that investigation. While our motivation came from quantum considerations, thanks to some of its new features, our formulation should be useful also for future analytical and numerical investigations within general relativity.

2011-01-01

29

Genetics, Genomics, and Molecular Biology  

Science.gov (United States)

Genetics, Genomics, and Molecular Biology USGS scientists develop and integrate new genetic and molecular techniques into systematic analyses to describe individuals and populations of fish .....

32

University of Central Lancashire - Facilities  

Wastenet

...specialised laboratories for pharmaceutics, tissue culture and molecular biology Excellent Laboratory Facilities Tissue Culture Facilities Molecular Biology Laboratory ...

33

Molecular phylogenetics and molecular dating of the New Zealand Gleicheniaceae  

Science.gov (United States)

... Symonds, G. J. Wilson, and H. Zhu. 1997. Seismic stratigraphy and structural history of the Reinga Basin and ... ...

34

Relativistic corrections to the spectra and radiative transitions in quarkonia  

International Nuclear Information System (INIS)

The author calculated the wavefunctions and the energy-spectra of c bar c and b bar b bound systems using the Hamiltonian proposed by Gupta, Radford and Repko (GRR). He writes the GRR Hamiltonian as H = H_o + H', where H_o includes the kinetic energy terms and the most dominant terms in the Hamiltonian. H' includes among other things the spin-spin, spin-orbit and the tensor terms in the Hamiltonian. The eigenvalue problem of H_o is solved by the variational method which makes use of a trial wave-function with eleven parameters. H' is then treated in the first order perturbation theory. The energy-spectra agree very well with experimental data. He also calculated the E1 and the M1 decay rates of these quarkonia. With relativistic corrections, the E1 transitions agree better with experiment. The dominant relativistic correction comes from the relativistic modification of the wave-function. The M1 ...

35

An Algebraic Approach to the Evolution of Emittances upon Crossing the Linear Coupling Difference Resonance  

International Nuclear Information System (INIS)

One of the hallmarks of linear coupling is the resonant exchange of oscillation amplitude between the horizontal and vertical planes when the difference between the unperturbed tunes is close to an integer. The standard derivation of this phenomenon (known as the difference resonance) can be found, for example, in the classic papers of Guignard [1, 2]. One starts with an uncoupled lattice and adds a linear perturbation that couples the two planes. The equations of motion are expressed in hamiltonian form. As the difference between the unperturbed tunes approaches an integer, one finds that the perturbing terms in the hamiltonian can be divided into terms that oscillate slowly and ones that oscillate rapidly. The rapidly oscillating terms are discarded or transformed to higher order with an appropriate canonical transformation. The resulting approximate hamiltonian gives equations of motion that clearly exhibit the exchange ...

36

Cells as semantic systems  

British Library Electronic Table of Contents (United Kingdom)

Background: We consider cells as biological systems that process information by means of molecular codes. Many studies analyze cellular information processing exclusively in syntactic terms (e.g., by measuring Shannon entropy of sets of macromolecules), and abstract completely from semantic aspects that are related to the meaning of molecular information. Methods: This mini-review focusses on semantic aspects of molecular information, particularly on codes that organize the semantic dimension of molecular information. First, a general conceptual framework for describing molecular information is proposed. Second, some examples of molecular codes are presented. Third, a mathematical approach that makes the identification of molecular codes in reaction networks possible, is developed. Results...

2011-01-01

37

Gauge invariant perturbation theory in spatially homogeneous cosmology  

International Nuclear Information System (INIS)

The perturbations of the L.R.S. class A spatially homogeneous spacetimes are treated using Hamiltonian methods in conjunction with techniques from the theory of Lie group harmonic analysis. These latter techniques lead to a simple way of handling any set of tensor equations on these background spacetimes which has the same symmetry group as the space-time metric. Once this approach is developed, the Hamiltonian formulation is used to recover in a clean way the Bonanos equations for the perturbations of the perfect fluid models of the class of spacetimes under consideration. The conserved quantities associated with the four-dimensional symmetry group are evaluated and their role in the linearized Hamiltonian dynamics is discussed. The time-dependent linear canonical transformation of the linearized vacuum gravitational phase space adapted to Moncrief's gauge invariant decomposition is described in general for these models ...

38

Dissipation and entropy production in open quantum systems  

Energy Technology Data Exchange (ETDEWEB)

A microscopic description of an open system is generally expressed by the Hamiltonian of the form: H{sub tot} = H{sub sys} + H{sub environ} + H{sub sys-environ}. We developed a microscopic theory of entropy and derived a general formula, so-called 'entropy-Hamiltonian relation' (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by H{sub sys-environ} for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space L := H x H-tilde, where H denotes the ordinary Hilbert space while H-tilde the tilde Hilbert space conjugates to H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By using the obtained ...

2010-11-01

39

Two-boson algebra and quantum computing with Josephson-like systems  

Energy Technology Data Exchange (ETDEWEB)

Our investigation concerns the class of Josephson-like systems, sharing the same nonlinear Hamiltonian. Among the latter a Josephson junction with an external biasing circuit is considered. We diagonalize the fully nonlinear Hamiltonian (in the superconductive regime of the junction) in the Fock space of the TBHA (two-boson Heisenberg algebra) and prove that such algebra leads quite naturally to the theoretical realization of codewords and logical operators: the codewords are defined as the even and odd coherent states of the TBHA, while the logical operators are expressed in terms of operators in the same algebra. Our theoretical construction corresponds to a continuous variable quantum computation scheme; the continuous variables are identified in terms of the physical operators of the junction. The link between this scheme and the technique of fermionization of bosonic systems is also discussed.

2005-12-01

40

Quantum adiabatic theorem for chemical reactions and systems with time-dependent orthogonalization  

CERN Document Server

A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the oscillating Schwinger Hamiltonian to establish the relationship between the internal (due to time-dependent eigenfunctions) and external (due to time-dependent Hamiltonian) time scales. We prove that this relationship needs to be taken as an independent quantum adiabatic approximation criterion. We give four examples, including logical expositions based on the spin-1/2 two-level system to address the gapped and gapless (due to energy level crossings) systems, as well as to understand how does this theorem allows one to study dynamical systems such as chemical reactions.

2011-01-01

41

Field theory description of neutrino oscillations  

CERN Document Server

We review various field theory approaches to the description of neutrino oscillations in vacuum and external fields. First we discuss a relativistic quantum mechanics based approach which involves the temporal evolution of massive neutrinos. To describe the dynamics of the neutrinos system we use exact solutions of wave equations in presence of an external field. It allows one to exactly take into account both the characteristics of neutrinos and the properties of an external field. In particular, we examine flavor oscillations an vacuum and in background matter as well as spin flavor oscillations in matter under the influence of an external electromagnetic field. Moreover we consider the situation of hypothetical nonstandard neutrino interactions with background fermions. In the case of ultrarelativistic particles we reproduce an effective Hamiltonian which is used in the standard quantum mechanical approach for the description of neutrino oscillations. The ...

2010-01-01

42

Bianchi type-IX electromagnetic universes  

Energy Technology Data Exchange (ETDEWEB)

The dynamical effects of spatially homogeneous electromagnetic fields on anisotropic Bianchi type-IX models are studied. The Lagrangians and Hamiltonians affecting the evolution of anisotropy (including the gravitational and electromagnetic potentials) are obtained for very general spatially homogeneous metrics by means of the Arnowitt-Deser-Misner Hamiltonian formalism. For models having diagonal metrics an exact solution for the electromagnetic fields is obtained. This solution allows a qualitative solution for the gravitational variables. The total solution is similar to that of Brill. For Bianchi type-IX models having symmetric and general metrics, a discussion of the qualitative behavior of the universe point under the influence of the above potentials is given. In particular, it is shown that in some cases the presence of the electromagnetic potential inhibits some types of singularities.

1984-01-15

43

Bianchi type-IX electromagnetic universes  

International Nuclear Information System (INIS)

The dynamical effects of spatially homogeneous electromagnetic fields on anisotropic Bianchi type-IX models are studied. The Lagrangians and Hamiltonians affecting the evolution of anisotropy (including the gravitational and electromagnetic potentials) are obtained for very general spatially homogeneous metrics by means of the Arnowitt-Deser-Misner Hamiltonian formalism. For models having diagonal metrics an exact solution for the electromagnetic fields is obtained. This solution allows a qualitative solution for the gravitational variables. The total solution is similar to that of Brill. For Bianchi type-IX models having symmetric and general metrics, a discussion of the qualitative behavior of the universe point under the influence of the above potentials is given. In particular, it is shown that in some cases the presence of the electromagnetic potential inhibits some types of singularities.

44

Sulfur compound cleanup: molecular sieves for SO/sub 2/ removal  

Science.gov (United States)

The progress of laboratory studies on the removal of NO/sub x/ and SO/sub 2/ with zeolite molecular sieves is reported. The trademark of these zeolite molecular sieves is Zeolon. (LK)

1976-08-01

45

Heat Stress and Hormetin-Induced Hormesis in Human Cells: Effects on Aging, Wound Healing, Angiogenesis, and Differentiation  

UK PubMed Central (United Kingdom)

Accumulation of molecular damage and increased molecular heterogeneity are hallmarks of cellular aging. Mild stress-induced hormesis can be an effective way for reducing the accumulation of molecular...Full Text Available

46

Anchoring of a Single Molecular Rotor and Its Array on Metal Surfaces using Molecular Design and Self-Assembly  

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

47

Marsden-Ratiu reduction and W_3"2 algebra  

International Nuclear Information System (INIS)

The W_3"2 algebra is deduced by the Marsden-Ratiu reduction in the bi-Hamiltonian framework proposed by Magri et al and compared with the usual derivations via the Drinfeld-Sokolov formalism. It is observed that the choice of A in the first Poisson tensor must be different for W_3"2 algebra. (orig.).

1997-01-01

48

Loop quantum cosmology of Bianchi type IX models  

International Nuclear Information System (INIS)

The loop quantum cosmology 'improved dynamics' of the Bianchi type IX model are studied. The action of the Hamiltonian constraint operator is obtained via techniques developed for the Bianchi type I and type II models, no new input is required. It is shown that the big bang and big crunch singularities are resolved by quantum gravity effects. We also present effective equations which provide quantum geometry corrections to the classical equations of motion.

2010-08-15

49

Landau-Ginzburg method applied to finite fermion systems: Pairing in nuclei  

Energy Technology Data Exchange (ETDEWEB)

Given the spectrum of a Hamiltonian, a methodology is developed which employs the Landau-Ginsburg theory for characterizing phase transitions in infinite systems to identify phase transition remnants in finite fermion systems. As a first application of our approach we discuss pairing in finite nuclei. (orig.)

2005-09-01

50

Integrability and symmetric spaces  

Energy Technology Data Exchange (ETDEWEB)

It is shown that a sufficient condition for a model describing the motion of a particle on a coset space to possess a Fundamental Poisson bracket Relation, and consequently charges in involution, is that it must be a symmetric space. The conditions, a Hamiltonian, or any functions of the canonical variables, has to satisfy in order to commute with these charges, are studied. It is show that, for the case of the noncompact symmetric spaces, these conditions lead to an algebraic structure which lays an important role in the construction of conserved quantities.

1989-01-01

51

Energy flux operator, current conservation and the formal Fourier's law  

International Nuclear Information System (INIS)

By revisiting previous definitions, we show that one can define an energy current operator that satisfies the continuity equation for a general Hamiltonian in one dimension. This expression is useful for studying electronic, phononic and photonic energy flow in linear systems and in hybrid structures. The definition allows us to deduce the necessary conditions that result in current conservation for general-statistics systems. The discrete form of the Fourier's law of heat conduction naturally emerges in the present definition.

2009-01-16

52

Electron impact excitation of lithium-like iron  

Energy Technology Data Exchange (ETDEWEB)

Calculations of total and angle-differential excitation cross sections for the electron impact excitation of lithium-like iron were performed with the R-matrix formulation. The alignments of the excited states 1s{sup 2}np {sup 2}P{sub 3/2} are also presented for n=3 and 4 along with the angular photon distribution from these states to the ground state. Relativistic effects were included in the present calculations by the Breit-Pauli Hamiltonian.

1996-05-01

53

Computing quantum eigenvalues made easy  

Energy Technology Data Exchange (ETDEWEB)

An extremely simple and convenient method is presented for computing eigenvalues in quantum mechanics by representing position and momentum operators in matrix form. The simplicity and success of the method is illustrated by numerical results concerning eigenvalues of bound systems and resonances for Hermitian and non-Hermitian Hamiltonians as well as driven quantum systems. Various MATLAB program codes are listed. (author)

2002-07-01

54

Chaotic behaviour in higher-order gravity theories  

Energy Technology Data Exchange (ETDEWEB)

We show that the chaotic dynamical behaviour displayed by diagonal Bianchi type IX metrics in general relativity does not occur on approach to the singularity in higher-order lagrangian theories of gravity. However, chaotic behaviour does occur in the more general non-diagonal type IX models in these theories. An interpretation of these results in terms of the hamiltonian potential picture of the type IX evolution is given. (orig.).

1989-11-30

55

Chaotic behaviour in higher-order gravity theories  

International Nuclear Information System (INIS)

We show that the chaotic dynamical behaviour displayed by diagonal Bianchi type IX metrics in general relativity does not occur on approach to the singularity in higher-order lagrangian theories of gravity. However, chaotic behaviour does occur in the more general non-diagonal type IX models in these theories. An interpretation of these results in terms of the hamiltonian potential picture of the type IX evolution is given. (orig.).

56

Adiabatic quantum computing with phase modulated laser pulses  

Energy Technology Data Exchange (ETDEWEB)

Implementation of quantum logical gates for multilevel systems is demonstrated through decoherence control under the quantum adiabatic method using simple phase modulated laser pulses. We make use of selective population inversion and Hamiltonian evolution with time to achieve such goals robustly instead of the standard unitary transformation language. (letter to the editor)

2005-09-23

57

The Combined Influence of Molecular Weight and Temperature on the ...  

Science.gov (United States)

[12] Kusy, R. P. and Turner, D. T.: Influence of molecular-weight ofpoly(methyl methacrylate)on fracture morphology in notched tension, Polymer. ...

58

REDUCTION OF INORGANIC COMPOUNDS WITH MOLECULAR HYDROGEN BY MICROCOCCUS LACTILYTICUS II.  

UK PubMed Central (United Kingdom)

Woolfolk, C. A. (University of Washington, Seattle). Reduction of inorganic compounds with molecular hydrogen by Micrococcus lactilyticus. II. Stoichiometry with inorganic...Full Text Available

1962-10-01

59

NSF-NIST Interaction in Chemistry, Materials Research, Molecular Biosciences, Bioengineering and Chemical Engineering  

Science.gov (United States)

NSF-NIST Interaction in Chemistry, Materials Research, Molecular Biosciences, Bioengineering, and ... Laboratory (CSTL). Materials research is centralized in the Materials Science and Engineering ...

60

Molecular spectroscopy and planetary atmospheres  

Energy Technology Data Exchange (ETDEWEB)

With the improvements accomplished during the past 15 years in detection techniques and instrumentation and with the opening of space exploration, molecular spectroscopy has become a very efficient way to probe planetary atmospheres.

1984-01-01

61

Molecular Genetics and Carcinogenesis Section  

Science.gov (United States)

The Molecular Genetics and Carcinogenesis Section conducts studies using human epithelial cells to assess: activation of proto-oncogenes by chemical and physical carcinogens; inactivation and dysregulation of tumor suppressor genes by chemical and physical

62

Molecular Cloning and Characterization of Three Novel Lysozyme-Like Genes, Predominantly Expressed in the Male ...  

Science.gov (United States)

... 041889 Molecular Cloning and Characterization of Three Novel Lysozyme-Like Genes, Predominantly Expressed in the Male Reproducti...

63

Molecular Characterization of Cryptosporidium Oocysts in Samples of Raw Surface Water and Wastewater  

UK PubMed Central (United Kingdom)

Recent molecular characterizations of Cryptosporidium parasites make it possible to differentiate the human-pathogenic Cryptosporidium parasites from those that do...Full Text Available

2001-03-01

64

IDSS: deformation invariant signatures for molecular shape comparison  

UK PubMed Central (United Kingdom)

BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available

72

IJMS | Section: Physical Chemistry, Theoretical and Computational Chemistry | Special Issue: Recent Advances in Molecular Electronics  

Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

78

A Leptonic-Hadronic Model for the Afterglow of Gamma-Ray ...  

Science.gov (United States)

... PHYSICS ATOMIC AND MOLECULAR PHYSICS AND SPECTROSCOPY NUCLEAR PHYSICS & ELEMENTARY PARTICLE PHYSICS. ...

2010-11-20

79

The superspin approach to a disordered quantum wire in the chiral-unitary symmetry class with an arbitrary number of channels  

CERN Document Server

We use a superspin Hamiltonian defined on an infinite-dimensional Fock space with positive definite scalar product to study localization and delocalization of noninteracting spinless quasiparticles in quasi-one-dimensional quantum wires perturbed by weak quenched disorder. Past works using this approach have considered a single chain. Here, we extend the formalism to treat a quasi-one-dimensional system: a quantum wire with an arbitrary number of channels coupled by random hopping amplitudes. The computations are carried out explicitly for the case of a chiral quasi-one-dimensional wire with broken time-reversal symmetry (chiral-unitary symmetry class). By treating the space direction along the chains as imaginary time, the effects of the disorder are encoded in the time evolution induced by a single site superspin (non-Hermitian) Hamiltonian. We obtain the density of states near the band center of an infinitely long quantum wire. Our results ...

2009-01-01

80

The quantum Zeno paradox revisited: the time evolution for a two-level system interacting with a reservoir  

Energy Technology Data Exchange (ETDEWEB)

We revisited the quantum Zeno paradox, which claims that a generic quantum system prepared in a state which is not an eigenstate of the Hamiltonian operator and is continuously observed never decays. Since any perfectly isolated quantum system always interact with a vacuum field, we analyze the possibility of using this fact to solve the above mentioned conceptual problem. Therefore we discuss a two-level system or qubit-Bose field interaction Hamiltonians. We consider the quantum dynamics of this two-level system, prepared in the excited state interacting with a Bose field prepared in the Poincare invariant vacuum state. Using a first-order approximation in time-dependent perturbation theory, we evaluate the probability of spontaneous decay of the two-level system driven by the vacuum field. This probability is evaluated for a finite time interval. Using the standard argument to obtain the quantum Zeno paradox, we consider N measurements where ...

2006-12-15

81

T=(5/2) "2"7Na from "1"4C+"1"4C, and the N=16 shell gap  

International Nuclear Information System (INIS)

For the first time a comprehensive level and decay scheme has been obtained for a T=(5/2) nucleus in the s-d shell ("2"7Na) by using a radioactive beam and target. Particle-#gamma# and p-#gamma#-#gamma# coincidences were measured following the "1"4C("1"4C,p#gamma#)"2"7Na reaction at E_l_a_b=22 MeV. The results do not support an inversion of the 2s_1_/_2 and 1d_5_/_2 orbitals, as previously proposed for T_z#>=#3, but they do suggest an increased N=16 gap between the 2s_1_/_2 and 1d_3_/_2 orbitals due to the neutron excess. A consistent interpretation of the level scheme in terms of the s-d shell model using the USD Hamiltonian is possible below 4 MeV, but differences increase at higher excitation energies. Another interpretation is that the influences of both the p_1_/_2 and f_7_/_2 intruder orbitals increase simultaneously with increasing T, an effect not included in the USD Hamiltonian.

2002-05-01

82

Shell-model predictions for electromagnetic properties of N = 50 nuclei  

Energy Technology Data Exchange (ETDEWEB)

Predictions for E2, M1, and M4 transition rates and moments, together with examples of transition-charge densities, are presented for states of N = 50 nuclei. These predictions are based on one-body spectroscopic amplitudes obtained from the wave functions of a new N = 50 shell-model calculation which incorporates the 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ single-particle orbits and an empirically determined effective Hamiltonian for this space. The predictions are compared with experimental data, first in order to evaluate how well the model space, as applied by this Hamiltonian, accounts for observations, and then to assess the importance of configurations excluded from the model space and to determine the values of the operator renormalizations (effective charges and effective g factors) which optimally map the theoretical results onto the corresponding experimental values.

1988-12-01

83

Path integral of the hydrogen atom, Jacobi's principle of least action and one-dimensional quantum gravity  

International Nuclear Information System (INIS)

A path integral evaluation of the Green's function for the hydrogen atom initiated by Duru and Kleinert is studied by recognizing it as a special case of the general treatment of the separable Hamiltonian of Liouville type. The basic dynamical principle involved is identified as Jacobi's principle of least action for given energy which is reparametrization invariant, and thus the appearance of a gauge freedom is naturally understood. The separation of variables in the operator formalism corresponds to a choice of gauge in the path integral, and the Green's function is shown to be gauge independent if the operator ordering is properly taken into account. Unlike the conventional Feynman path integral, which deals with a space-time picture of particle motion, the path integral on the basis of Jacobi's principle sums over orbits in space. We illustrate these properties by evaluating an exact path integral of the Green's function for the hydrogen atom in parabolic ...

84

Noncommutative Bloch analysis of Bochner Laplacians with nonvanishing gauge fields  

CERN Document Server

Given an invariant gauge potential and a periodic scalar potential \\tilde{V} on a Riemannian manifold \\tilde{M} with a discrete symmetry group \\Gamma, consider a \\Gamma-periodic quantum Hamiltonian \\tilde{H}=-\\tilde{\\Delta}_{B}+\\tilde{V} where \\tilde{\\Delta}_{B} is the Bochner Laplacian. Both the gauge group and the symmetry group \\Gamma can be noncommutative, and the gauge field need not vanish. On the other hand, \\Gamma is supposed to be of type I. To any unitary representation \\Lambda of \\Gamma one relates a Hamiltonian H^{\\Lambda}=-\\Delta_{B}^{\\Lambda}+V on M=\\tilde{M}/\\Gamma where V is the projection of \\tilde{V} to M. We describe a construction of the Bloch decomposition of \\tilde{H} into a direct integral whose components are H^{\\Lambda}, with \\Lambda running over the dual space \\hat{\\Gamma}. The evolution operator and the resolvent decompose correspondingly. Conversely, given \\Lambda\\in\\hat{\\Gamma}, one can ...

2010-01-01

85

Crystal-field excitations in the visible spectrum of Nd{sub 2}CuO{sub 4}  

Energy Technology Data Exchange (ETDEWEB)

A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the {sup 4}I{sub 9/2-15/2}, {sup 4}F{sub 3/2-9/2}, {sup 4}S{sub 3/2} and {sup 2}H{sub 9/2} J manifolds, including the available infrared (IR) data up to {approx}15 000 cm{sup -1} for the Nd{sup 3+} ions in the Nd{sub 2}CuO{sub 4} single crystals. The CF Hamiltonian for the tetragonal C{sub 4v} symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f{sup 3} configuration. A rms error of 9 cm{sup -1} between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd{sub 2}CuO{sub 4} and the metallic Nd{sub 2-x}Ce{sub x}CuO{sub 4}, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

2004-07-14

86

Crystal-field excitations in the visible spectrum of Nd_2CuO_4  

International Nuclear Information System (INIS)

A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the "4I_9_/_2_-_1_5_/_2, "4F_3_/_2_-_9_/_2, "4S_3_/_2 and "2H_9_/_2 J manifolds, including the available infrared (IR) data up to #approx#15 000 cm"-"1 for the Nd"3"+ ions in the Nd_2CuO_4 single crystals. The CF Hamiltonian for the tetragonal C_4_v symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f"3 configuration. A rms error of 9 cm"-"1 between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd_2CuO_4 and the metallic Nd_2_-_xCe_xCuO_4, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

2004-07-14

87

Continuous and Discrete (Classical) Heisenberg Spin Chain revised  

CERN Document Server

The Hamiltonian structure of the Classical Heisenberg Spin Chain (CHSC) has been extensively studied by a number of authors. First of all, we mention Faddeev and Thaktadjan that, in their fundamental monograph "Hamiltonian Methods in the Theory of Soliton", elucidate the main properties of both continuous and (semi-)discrete models. An analysis of the su(2) continuous model in the context of the reduction theory for Poisson Nijenhuis manifolds was performed by Magri et al in1985, while through a similar approach a few years later Ragnisco and Santini analyzed the discrete case. In the meantime, among the condensed matter community there was some renewed interest on Potts models, sort of generalized spin chains where the relevant field variable is allowed to take values at the $N^{th}$ roots of unity. The proper theoretical setting for such models, at least at the classical level, would have been the extension to NxN matrices of the approach ...

2006-01-01

88

Weyl gauge, Schwinger terms and bosonization in light-front field theory  

Energy Technology Data Exchange (ETDEWEB)

A systematic study of non-perturbative quantum structure of the massive light-front Schwinger model and QED(3+1) in the continuum formulation is outlined. The light-front Hamiltonian and field algebra are derived in the Weyl gauge using the Dirac-Bergmann constrained quantization. Unitary transformation to the light-cone gauge representation is performed and the gauge-invariant fermi field is constructed. The importance of the Schwinger term in the current-current commutation relations for the derivation of the fermionic vacuum structure and bosonization in two dimensions is indicated.

2002-04-01

89

The full order weak schemes of the Langevin simulations  

Energy Technology Data Exchange (ETDEWEB)

New partial differential equations (PDEs) for the full order weak schemes of the Langevin simulations are formulated. They are solved recursively in full order series solutions with respect to {radical}(t) (the full order weak Taylor schemes). Arbitrariness involved in the solutions is analyzed and clarified in detail. Specific solutions within some orders are presented as examples of the weak Taylor schemes. These PDEs and their solutions will serve for further developments of efficient higher order Runge-Kutta-like schemes. The similar formulation is possible for the imaginary time Hamiltonian evolution kernels as well. (orig.). 9 refs.

1998-04-01

90

The electronic structure of organometallic complexes of the f elements XXV. Crystal field splitting pattern of the anionic complex [Cp_3Pr. NCS]"-  

International Nuclear Information System (INIS)

The absorption, emission and magnetic circular dichroism spectra of the anionic complex (Cp_3Pr. NCS)"- were measured at room and low temperatures. On the basis of these spectra the electronic structure in the f-f range could be derived. The parameters of an empirical Hamiltonian were fitted to the experimentally determined crystal field splitting pattern. Compared with the previously examined neutral Cp_3 Pr.X complexes the quadratic crystal field parameter B_0"2 is considerably reduced.

91

Optimal oscillation-center transformations  

Energy Technology Data Exchange (ETDEWEB)

A variational principle is proposed for defining that canonical transformation, continuously connected with the identity transformation, which minimizes the residual, coordinate-dependent part of the new Hamiltonian. The principle is based on minimization of the mean-square generalized force. The transformation reduces to the action-angle transformation in that part of the phase space of an integrable system where the orbit topology is that of the unperturbed system, or on primary KAM surfaces. General arguments in favor of this definition are given, based on Galilean invariance, decay of the Fourier spectrum, and its ability to include external fields or inhomogeneous systems. The optimal oscillation-center transformation for the physical pendulum, or particle in a sinusoidal potential, is constructed.

1984-08-01

92

Optimal generation planning for a thermal system with pumped-storage based on analytical production costing model  

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new algorithm for the optimal long-range generation planning for a thermal system with pumped-storage plants. The algorithm is based upon the analytical production costing model developed under the assumption of Gaussian probabilistic distribution of random load fluctuations and plant outages. The optimization problem consists of the master problem to determine the annual investment, and the pumped-storage subproblem to determine the optimal pumped-storage operation. The master problem is formulated as a Hamiltonian minimization problem, and the pumped-storage subproblem is solved using the concept of peak-shaving operation on the original load curve.

1986-01-01

93

Optimal generation planning for a thermal system with pumped-storage based on analytical production costing model  

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new algorithm for the optimal long-range generation planning for a thermal system with pumped-storage plants. The algorithm is based upon the analytical production costing model developed under the assumption of Gaussian probabilistic distribution of random load fluctuations and plant outages. The optimization problem consists of the master problem to determine the annual investment, and the pumped-storage subproblem to determine the optimal pumped-storage operation. The master problem is formulated as a Hamiltonian minimization problem, and the pumped-storage subproblem is solved using the concept of peak-shaving operation on the original load curve.

1987-05-01

94

Magnetic properties of CeRh_2Si_2 and CePd_2Si_2 single crystals  

International Nuclear Information System (INIS)

Single-crystalline CeRh_2Si_2 and CePd_2Si_2 were grown by the Czochralsky pulling method and the temperature dependence of magnetic susceptibility was investigated. The crystalline electric field (CEF) states in each compound were determined by considering the tetragonal CEF Hamiltonian with mean-field approximation. Interactions between Ce"3"+ ion and the surrounding ligands in CeRh_2Si_2 turned out to be strong and highly anisotropic in comparison to CePd_2Si_2. (orig.)

1998-01-01

95

Higher spin symmetries and w_#infinity# algebra in the conformal affine Toda model  

International Nuclear Information System (INIS)

As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w_#infinity# algebra) is established. (orig.).

1992-05-01

96

Cocycles, the descent equations, and the Virasoro algebra  

International Nuclear Information System (INIS)

A generalization of Faddeev's group cohomology applicable to diffeomorphism groups is presented. This cohomology is used to calculate the two cocycles associated with a projective representation of the diffeomorphism group on the circle. The group version of the n"3 term descends from a three dimensional Chern-Simons action based on the diffeomorphism group. The group version of the n term arises from an ambiguity in the descent equations of adding closed but not exact forms and is trivial only if its appropriately normalized coefficient is quantized to be an integer. Finally, a hamiltonian interpretation of global anomalies is suggested in the language of group cohomology. (orig.).

1990-05-01

97

Bianchi type IX cosmological models with homogeneous spinor fields  

Energy Technology Data Exchange (ETDEWEB)

The diagonal and symmetric Bianchi type IX models are coupled to a homogeneous spinor field. An action for the combined fields is constructed, where the orthonormal basis used is given explicitly in terms of the metric. This allows one to vary the action with respect to the metric and the spinor fields only. Next, a Hamiltonian formulation is given, and a qualitative solution for the problem is presented. We also show that the k = +1 FRW (Friedmann--Robertson--Walker) model is not compatible with a homogeneous spinor field, while the more complicated models are.

1981-03-01

98

Bianchi type IX cosmological models with homogeneous spinor fields  

International Nuclear Information System (INIS)

The diagonal and symmetric Bianchi type IX models are coupled to a homogeneous spinor field. An action for the combined fields is constructed, where the orthonormal basis used is given explicitly in terms of the metric. This allows one to vary the action with respect to the metric and the spinor fields only. Next, a Hamiltonian formulation is given, and a qualitative solution for the problem is presented. We also show that the k = +1 FRW (Friedmann--Robertson--Walker) model is not compatible with a homogeneous spinor field, while the more complicated models are.

99

On foundation of the generalized Nambu mechanics  

International Nuclear Information System (INIS)

We outline basic principles of a canonical formalism for the Nambu mechanics - a generalization of Hamiltonian mechanics proposed by Yoichiro Nambu in 1973. It is based on the notion of a Nambu bracket, which generalizes the Poisson bracket - a 'binary'' operation on classical observables on the phase space - to the 'multiple' operation of higher order n#>=#3. Nambu dynamics is described by the phase flow given by Nambu-Hamilton equations of motion - a system of ODE's which involves n-1 'Hamiltonians'. We introduce the fundamental identity for the Nambu bracket - a generalization of the Jacobi identity - as a consistency condition for the dynamics. We show that Nambu bracket structure defines a hierarchy of infinite families of 'subordinated' structures of lower order, including Poisson bracket structure, which satisfy certain matching conditions. The notion of Nambu bracket enables us to define Nambu-Poisson manifolds - phase spaces for the ...

100

Ubiquitin over-expression phenotypes and ubiquitin gene molecular misreading during aging in Drosophila melanogaster  

UK PubMed Central (United Kingdom)

Molecular Misreading (MM) is the inaccurate conversion of genomic information into aberrant proteins. For example, when RNA polymerase II transcribes a GAGAG motif it synthesizes at low frequency RNA...Full Text Available

101

Transcription regulation of caspase-1 by R393 of HIPPI and its molecular partner HIP-1  

UK PubMed Central (United Kingdom)

Earlier we have shown that exogenous expression of HIPPI, a molecular partner of Huntingtin interacting protein HIP-1, induces apoptosis and increases expression of caspases-1, -8 and -10 in HeLa and...Full Text Available

2010-01-01

102

Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations  

UK PubMed Central (United Kingdom)

AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available

2010-01-06

103

Simulation of solid molecular hydrogen - a new twist to an old problem  

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.

2010-01-01

104

Sequential Molecular and Cellular Events during Neoplastic Progression: A Mouse Syngeneic Ovarian Cancer Model1  

UK PubMed Central (United Kingdom)

AbstractStudies performed to identify early events of ovarian cancer and to establish molecular markers to support early detection and development of chemopreventive regimens have been...Full Text Available

2005-10-01

105

RXR activators molecular signalling: involvement of a PPAR?-dependent pathway in the liver and kidney, evidence for an alternative pathway in the heart  

UK PubMed Central (United Kingdom)

In this study we compared the molecular signalling elicited by rexinoids, selective retinoid X receptor (RXR)-activators, in several organs (i.e. liver, kidney,...Full Text Available

2003-03-01

106

Parallel helix bundles and ion channels: molecular modeling via simulated annealing and restrained molecular dynamics.  

UK PubMed Central (United Kingdom)

A parallel bundle of transmembrane (TM) alpha-helices surrounding a central pore is present in several classes of ion channel, including the nicotinic acetylcholine receptor (nAChR). We have modeled...Full Text Available

1994-10-01

107

Near Infrared-Fluorescent and Magnetic Resonance Imaging Molecular Probe with High T1 Relaxivity for In Vivo Multimodal Imaging  

UK PubMed Central (United Kingdom)

A new gadolinium chelating NIR fluorescent molecular probe increases T1 relaxivity of water protons, facilitating combined optical and magnetic resonance imaging.

2010-06-07

108

Molecular cloning and characterization of a hemolysin gene from Actinobacillus (Haemophilus) pleuropneumoniae.  

UK PubMed Central (United Kingdom)

This article describes the molecular cloning and expression of a hemolysin gene from a serotype 1 strain of Actinobacillus pleuropneumoniae. The hemolysin was a thermolabile protein with an apparent...Full Text Available

1989-11-01

109

Molecular biological enhancement of coal biodesulfurization. Final report, October 1988--December 1991  

Energy Technology Data Exchange (ETDEWEB)

The overall objective of this project was to use molecular genetics to develop strains of bacteria with enhanced ability to remove sulfur from coal, and to obtain data that will allow the performance and economics of a coal biodesulfurization process to be predicted. (VC)

1991-12-01

110

Molecular Dynamics Simulations of the Detoxification of Paraoxon Catalyzed by Phosphotriesterase (PTE)  

UK PubMed Central (United Kingdom)

Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available

2009-11-30

111

In vitro analysis of nuclear mRNA export using molecular beacons for target detection  

UK PubMed Central (United Kingdom)

A detailed molecular characterization of nuclear mRNA export will require an in vitro system, allowing a biochemical reconstitution of transport. To this end, an mRNA export assay has...Full Text Available

2003-06-01

112

Educational Challenges of Molecular Life Science: Characteristics and Implications for Education and Research  

UK PubMed Central (United Kingdom)

Molecular life science is one of the fastest-growing fields of scientific and technical innovation, and biotechnology has profound effects on many aspects of daily life—often with deep, ethical...Full Text Available

2010-01-01

113

EPA On-line Tools for Site Assessment Calculation | Ecosystems...  

Science.gov (United States)

MWo = average molecular weight of fuel est. 105 g/mole for gasoline est. 165 g/mole for Jet fuel est. 230 g/mole for diesel fuel MWX = molecular weight of selected chemical...

2011-01-19

114

Computational approaches to discovering semantics in molecular biology  

Energy Technology Data Exchange (ETDEWEB)

One of the central questions of molecular biology is the discovery of the semantics of DNA. This discovery relies in a critical way on a variety of expensive computations. In order to solve these computations, both parallel computers and special-purpose hardware play a major role.

1989-07-01

115

Characteristics of the molecular diversity of the outer membrane protein A gene of Haemophilus parasuis  

UK PubMed Central (United Kingdom)

The molecular diversity of the gene encoding the outer membrane protein A (OmpA) of Haemophilus parasuis has been unclear. In this study, the structural characteristics, sequence types,...Full Text Available

2010-07-01

116

Binding of PFOS to serum albumin and DNA: insight into the molecular toxicity of perfluorochemicals  

UK PubMed Central (United Kingdom)

BackgroundHealth risk from exposure of perfluorochemicals (PFCs) to wildlife and human has been a subject of great interest for understanding their molecular mechanism of toxicity....Full Text Available

117

Alpha-Hemoglobin-Stabilizing Protein: An Erythroid Molecular Chaperone  

UK PubMed Central (United Kingdom)

Alpha-hemoglobin-stabilizing protein (AHSP) is an erythroid-specific protein that acts as a molecular chaperone for the free α chains of hemoglobin. Evidence strongly suggests...Full Text Available

2011-01-01

118

The investigation on the catalyst of methanol transformation. II. The stability of catalyst  

Energy Technology Data Exchange (ETDEWEB)

The batchwise preparation of molecular sieves for methanol conversion shows some inconsistency in catalytic stability. This is a result mainly of the change of SiO/SUB/2/Al/SUB/2O/SUB/3 in ion exchange to an H-type sieve. The dealumination during ion exchange depends upon crystal size and structural factors, which can be characterised by the cyclohexane adsorption of the raw molecular sieve. A high SiO/SUB/2/Al/SUB/2O/SUB/3 H-molecular sieve can be prepared from a molecular sieve of high adsorption capacity, this leading to a catalyst of higher stability. (4 refs.)

1984-03-01

119

Metastability of Molecular Phases of Nitrogen: Implications to the Phase Diagram  

Energy Technology Data Exchange (ETDEWEB)

Despite their simplicity, diatomic molecules of first row elements can exhibit very complex phase diagrams. Determination of the phase diagrams can be further complicated by the existence of hysteretic molecular phases that can be observed over large regions of coexistence. Here we present evidence for a previously unreported molecular phase of nitrogen existing at room temperature at least over the range of 33-74 GPa. Our measurements show that sample history may have a significant impact on the thermodynamic states accessed by the molecular nitrogen solid and, by extension, also on the established phase diagram.

2001-09-12

120

Inelastic collisions of molecular ions in the injected ion drift tube  

International Nuclear Information System (INIS)

... energy spectra inelastic scattering ion-molecule collisions mass spectrometers

1977-07-27

121

Cholera toxin binding sites in yeast triggers biochemical pathway  

International Nuclear Information System (INIS)

... e Biologia Molecular (SBBq), Sao Paulo, SP (Brazil) 217 p. APPLIED LIFE

1998-05-23

122

Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular  

Energy Technology Data Exchange (ETDEWEB)

Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)

2007-07-01

123

Stereochemistry definition of small organic molecules in solution: [H-H] NOE + molecular mechanics; Okreslenie sterochemii malych czasteczek organicznych w roztworze: [H-H] NOE + mechanika molekularna  

Energy Technology Data Exchange (ETDEWEB)

Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.

1994-12-31

124

Microdialysis unit for molecular weight separation  

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) ...

1999-09-21

125

Fluorescence based molecular in vivo imaging; Fluoreszenzgestuetzte molekulare Bildgebung in vivo  

Energy Technology Data Exchange (ETDEWEB)

Molecular imaging represents a modern research area that allows the in vivo study of molecular biological process kinetics using appropriate probes and visualization methods. This methodology may be defined- apart from the contrast media injection - as non-abrasive. In order to reach an in vivo molecular process imaging as accurate as possible the effects of the used probes on the biological should not be too large. The contrast media as important part of the molecular imaging can significantly contribute to the understanding of molecular processes and to the development of tailored diagnostics and therapy. Since more than 15 years PTB is developing optic imaging systems that may be used for fluorescence based visualization of tissue phantoms, small animal models and the localization of tumors and their predecessors, and for the early recognition of inflammatory processes in ...

2008-12-15

126

cap alpha. decay of fission isomers  

Energy Technology Data Exchange (ETDEWEB)

The theory of ..cap alpha.. decay in first-order perturbation theory is presented. The theory is designed for a strongly deformed nucleus in an isomeric state which changes its deformation dynamically through decay from a very deformed to an almost spherical shape. It is shown that other channels are not coupled to the ..cap alpha.. channel in first-order perturbation theory. The collective degrees of freedom of the daughter nucleus are described by shape vibrational states, eigenstates of a Hamiltonian whose potential has two minima. The parent nucleus is described by dynamically coupling the vibrational degrees of freedom to the ..cap alpha..-particle motion and also taking rotations into account. The ..cap alpha.. particle is taken to be a point-like particle. The theory is applied to the ..cap alpha.. decay of the isomeric state of /sub 95//sup 242/Am.

1984-10-01

127

Variational derivation of improved KP-type of equations  

Energy Technology Data Exchange (ETDEWEB)

The Kadomtsev-Petviashvili equation describes nonlinear dispersive waves which travel mainly in one direction, generalizing the Korteweg-de Vries equation for purely uni-directional waves. In this Letter we derive an improved KP-equation that has exact dispersion in the main propagation direction and that is accurate in second order of the wave height. Moreover, different from the KP-equation, this new equation is also valid for waves on deep water. These properties are inherited from the AB-equation (E. van Groesen, Andonowati, 2007 ) which is the unidirectional improvement of the KdV equation. The derivation of the equation uses the variational formulation of surface water waves, and inherits the basic Hamiltonian structure.

2010-01-04

128

The program HAMILTON for the analytic solution of the equations of motion through fifth order  

International Nuclear Information System (INIS)

HAMILTON is a computer code performing all algebraic operations necessary for an analytic determination of the power series of the Hamiltonian equations of motion in the electromagnetic fields with at least one plane of symmetry. It is written entirely in FORTRAN in order to achieve fast machine performance, a requirement which is essential due to the complexity of the equations of motion in higher orders. HAMILTON is considerably faster than common more versatile formula manipulators and uses noticeably less storage. Besides the mere solution of the equations of motion, HAMILTON also produces FORTRAN code compatible with the program COSY 5.0 allowing the computation of matrix elements of individual optical elements and their concatenation. The produced FORTRAN code is highly optimized and on average requires only 30% of the execution time of a handwritten comparable code. (orig.).

129

The planetary N-body problem: symplectic?foliation, reductions and invariant tori  

British Library Electronic Table of Contents (United Kingdom)

The 6n-dimensional phase space of the planetary (1+n)-body problem (after the classical reduction of the total linear momentum) is shown to be foliated by symplectic leaves of dimension (6n?2) invariant for the planetary Hamiltonian Formula Not Shown . Such foliation is described by means of a new global set of Darboux coordinates related to a symplectic (partial) reduction of rotations. On each symplectic leaf Formula Not Shown has the same form and it is shown to preserve classical symmetries. Further sets of Darboux coordinates may be introduced on the symplectic leaves so as to achieve a complete (total) reduction of rotations. Next, by explicit computations, it is shown that, in the reduced settings, certain degeneracies are removed. In particular, full torsion is checked both in the ...

2011-01-01

130

The kernel polynomial method for non-orthogonal electronic structure calculations  

Energy Technology Data Exchange (ETDEWEB)

The Kernel Polynomial Method (KPM) has been successfully applied to tight-binding electronic structure calculations as an O(N) method. Here the authors extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is necessary to apply S{sup {minus}1}H onto a vector. The multiplication of S{sup {minus}1} is performed using a preconditioned conjugate gradient method and does not involve the explicit inversion of S. Hence the method scales the same way as the original KPM method, i.e. O(N), although there is an overhead due to the additional conjugate gradient part. The authors show an application of this method to defects in a titanate/platinum interface and to a large scale electronic structure calculation of amorphous diamond.

1996-11-01

131

The MacMahon Master Theorem for right quantum superalgebras and higher Sugawara operators for \\hat gl(m|n)  

CERN Document Server

We prove an analogue of the MacMahon Master Theorem for the right quantum superalgebras. In particular, we obtain a new and simple proof of this theorem for the right quantum algebras. In the super case the theorem is then used to construct higher order Sugawara operators for the affine Lie superalgebra \\hat gl(m|n) in an explicit form. The operators are elements of a completed universal enveloping algebra of \\hat gl(m|n) at the critical level. They occur as the coefficients in the expansion of a noncommutative Berezinian and as the traces of powers of generator matrices. The same construction yields higher Hamiltonians for the Gaudin model associated with the Lie superalgebra gl(m|n).

2009-01-01

132

Tensor network states and geometry  

CERN Document Server

Tensor network states are used to approximate ground states of local Hamiltonians on a lattice in D spatial dimensions. Different types of tensor network states can be seen to generate different geometries. Matrix product states (MPS) in D=1 dimensions, as well as projected entangled pair states (PEPS) in D>1 dimensions, reproduce the D-dimensional physical geometry of the lattice model; in contrast, the multi-scale entanglement renormalization ansatz (MERA) generates a (D+1)-dimensional holographic geometry. Here we focus on homogeneous tensor networks, where all the tensors in the network are copies of the same tensor, and argue that certain structural properties of the resulting many-body states are preconditioned by the geometry of the tensor network and are therefore largely independent of the choice of variational parameters. Indeed, the asymptotic decay of correlations in homogeneous MPS and MERA for D=1 systems is seen to be determined by the structure ...

2011-01-01

133

Strong coupled organic microcavities  

International Nuclear Information System (INIS)

Strong coupled organic-inorganic microcavities device has been realized and studied. One of the two cavities contains an organic thin film of tetrakis(4-methoxyphenyl)porphyrin, whereas the other microcavity is a dielectric structure coupled to the organic one by means of a LiF/ZnS Bragg mirror. Reflectivity spectra show the presence of two well defined cavity dips. We observe an energy splitting of the two cavity-modes. Despite only one cavity contains the active layer, the photoluminescence spectra display two peaks at the same energy of the reflectivity dips. These observations indicate the strong coupling of the two cavities. The comparison of the diagonalized effective Hamiltonian with the observed resonances further confirms the strong coupling.

2010-02-01

134

Pseudospin symmetry and the relativistic harmonic oscillator  

CERN Document Server

A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The Dirac Hamiltonian contains a scalar, $S$, and a vector, $V$, quadratic potentials in the radial coordinate, as well as a tensor potential, $U$, linear in $r$. Setting either or both combinations $\\Sigma=S+V$ and $% \\Delta=V-S$ to zero, analytical solutions for bound states of the corresponding Dirac equations are found. The eigenenergies and wave functions are presented and particular cases are discussed, devoting a special attention to the non-relativistic limit and the case $\\Sigma=0$, for which pseudospin symmetry is exact. We also show that the case $U=\\Delta=0$ is the most natural generalization of the non-relativistic harmonic oscillator. The radial node structure of the Dirac spinor is studied for several combinations of harmonic oscillator potentials, and that study allows us to explain why nuclear intruder levels cannot be described in the framework of the ...

2004-01-01

135

Pinned fluxons in a Josephson junction with a finite-length inhomogeneity  

CERN Document Server

We consider a Josephson junction system installed with a finite length inhomogeneity, either of microresistor or of microresonator type. The system can be modelled by a sine-Gordon equation with a piecewise-constant function to represent the varying Josephson tunneling critical current. The existence of pinned fluxons depends on the length of the inhomogeneity, the variation in the Josephson tunneling critical current and the applied bias current. We establish that a system may either not be able to sustain a pinned fluxon, or - for instance by varying the length of the inhomogeneity - may exhibit various different types of pinned fluxons. Our stability analysis shows that changes of stability can only occur at critical points of the length of the inhomogeneity as a function of the (Hamiltonian) energy density inside the inhomogeneity - a relation we determine explicitly. In combination with continuation arguments and Sturm-Liouville theory, we determine the ...

2011-01-01

136

Optimized pulse sequences for the suppression of decoherence in quantum information  

International Nuclear Information System (INIS)

The dynamical decoupling (DD) aims at suppressing the decoherence by means of coherent control pulses. Even if devices exist where instantaneous pulses are an adequate approximation, experimentally a finite duration #tau#_p and a bounded amplitude are inevitable. They are the cause of additional errors which can be corrected by designing the pulse shape appropriately. The new pulse has the overall effect of an ideal, instantaneous pulse with the advantage of decoupling the spin (or qubit) from the bath up to the order O(#tau#_p"3). The limitation of the no-go theorem for #pi# pulses is avoided. Hence, the Uhrig sequence (UDD), originally thought for ideal #pi# pulses, works also for bounded control Hamiltonians. Numerical simulations show that concatenated sequences of real pulses are effective against general decoherence.

2010-03-21

137

Neutrinos and long-range weak forces in cosmology  

International Nuclear Information System (INIS)

The Lorentz and coordinate covariant calculus of spinors in Riemannian spacetime, which is the mathematical model for the description of the quantum mechanics of elementary particles with spin interacting with the classical gravitation field, is explored. The Dirac equation describing the interaction of neutrinos with the gravitational fields of the Robertson-Walker cosmological world models is separated, and the spectrum of eigenfunctions and eigenvalues for particular choices of the set of quantum numbers is given explicitly for the k = 0 and k = +1 models, although only the radial equations determining the final quantum number are given for the k = -1 model. The mathematical theory of the motion of a perfect fluid whose elements interact via long-range neutrino-exchange forces, as well as gravitationally, is developed. The formalism for calculating, by calculating the Bogoliubov transformation of the Fock space operators that instantaneously diagonalize their quantized field ...

138

Mixmaster: fact and belief  

Energy Technology Data Exchange (ETDEWEB)

We consider the dynamics towards the initial singularity of Bianchi type IX vacuum and orthogonal perfect fluid models with a linear equation of state. Surprisingly few facts are known about the 'Mixmaster' dynamics of these models, while at the same time most of the commonly held beliefs are rather vague. In this paper, we use Mixmaster facts as a base to build an infrastructure that makes it possible to sharpen the main Mixmaster beliefs. We formulate explicit conjectures concerning (i) the past asymptotic states of type IX solutions and (ii) the relevance of the Mixmaster/Kasner map for generic past asymptotic dynamics. The evidence for the conjectures is based on a study of the stochastic properties of this map in conjunction with dynamical systems techniques. We use a dynamical systems formulation, since this approach has so far been the only successful path to obtain theorems, but we also make comparisons with the 'metric' and ...

2009-04-07

139

Magnetic properties of CeRh{sub 2}Si{sub 2} and CePd{sub 2}Si{sub 2} single crystals  

Energy Technology Data Exchange (ETDEWEB)

Single-crystalline CeRh{sub 2}Si{sub 2} and CePd{sub 2}Si{sub 2} were grown by the Czochralsky pulling method and the temperature dependence of magnetic susceptibility was investigated. The crystalline electric field (CEF) states in each compound were determined by considering the tetragonal CEF Hamiltonian with mean-field approximation. Interactions between Ce{sup 3+} ion and the surrounding ligands in CeRh{sub 2}Si{sub 2} turned out to be strong and highly anisotropic in comparison to CePd{sub 2}Si{sub 2}. (orig.) 10 refs.

1998-01-01

140

Investigation of the electronic structure of base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) and related compound types  

International Nuclear Information System (INIS)

The purpose of this work is the elucidation of the f"n electronic structure of neutral mono base adducts derived from tris(#eta#"5-cyclopentadienyl)-lanthanide(III) (Cp_2Ln). The available data on related compounds like bis adducts and anionic mono adducts of the same moiety was also analyzed. The first aim was to derive the experimental crystal field splitting pattern from optical, magnetooptical and magnetochemical measurements and to reproduce it using an empirical Hamiltonian operator. The eigenvalues and eigenvectors obtained in this manner were used for a quantitative interpretation of the magnetochemical, EPR- and NMR-spectroscopic properties. For the latter subject it was necessary to develop an own procedure for the NMR analysis of paramagnetic compounds. This method is based on factor analysis and as demonstrated in the second part of this work, is clearly superior to all previous procedures. (orig.).

141

Interplay between coherence and decoherence in LHCII photosynthetic complex  

CERN Document Server

This paper investigates the dynamics of excitonic transport in photocomplex LHCII, the primary component of the photosynthetic apparatus in green plants. The dynamics exhibits a strong interplay between coherent processes mediated by the excitonic Hamiltonian, and incoherent processes due to interactions with the environment. The spreading of the exciton over a single monomer is well described by a proper measure of delocalization that allows one to identify two relevant time scales. An exciton initially localized in one chromophore first spreads coherently to neighboring chromophores. During this initial coherent spreading, quantum effects such as entanglement play a role. As the effects of a decohering environment come into play, coherence and decoherence interact to give rise to efficient and robust excitonic transport, reaching a maximum efficiency at the levels of decoherence found in physiological conditions. We analyze the efficiency for different possible ...

2011-01-01

142

IBM-2 calculation of band mixing in "1"3"2Ba  

International Nuclear Information System (INIS)

The band crossing in "1"3"2Ba has been investigated by using the interacting boson model. A broken neutron pair has been coupled to a collective boson core. The boson-fermion interaction hamiltonian contains terms which can transform a boson into a pair of quasiparticles and vice versa. The parameters were partly determined by fitting the collective states of "1"3"2","1"3"4Ba and the yrast states of "1"3"1Ba. The energy backbending has been satisfactorily reproduced. Good agreement of the electromagnetic moments has been reached. The structure of the wave functions has been discussed. (author)

1999-12-04

143

Free field resolution for nonunitary representations of N=2 SuperVirasoro  

CERN Document Server

We study N=2 SuperVirasoro SCFT for the generic value of the central charge. The main tool is the nonstandard bosonisation suggested in \\ref\\rRoz{L. Rozansky a letter to M. Bershadsky, 1989}, \\ref\\rSeBGR{B. Gato-Rivera, A. Semikhatov Phys. Letts. B293 (1992) 72},\\ref\\rBLNW{M. Bershadsky, W. Lerche, D. Nemeshansky, N. Warner N=2 Extended superconformal structure of Gravity and W Gravity coupled to Matter HUTP-A034/92}. The free field resolutions for the irreducible representations are obtained; the characters of these representations are computed. The quantum hamiltonian reduction from the Kac-Moody $\\hat{sl}_k(2|1)$ to N=2 $SVir$ is constructed.

1993-01-01

144

Fermion-fermion and boson-boson amplitudes: surprising similarities  

CERN Document Server

Amplitudes for fermion-fermion, boson-boson and fermion-boson interactions are calculated in the second order of perturbation theory in the Lobachevsky space. An essential ingredient of the model is the Weinberg's 2(2j+1)-component formalism for describing a particle of spin j. The boson-boson amplitude is then compared with the two-fermion amplitude obtained long ago by Skachkov on the basis of the Hamiltonian formulation of quantum field theory on the mass hyperboloid, p_0^2 - p^2=M^2, proposed by Kadyshevsky. The parametrization of the amplitudes by means of the momentum transfer in the Lobachevsky space leads to same spin structures in the expressions of T-matrices for the fermion case and the boson case. However, certain differences are found. Possible physical applications are discussed.

2007-01-01

145

Electronic structures of organometallic complexes of f elements. XLIV. Parametrization of the crystal field splitting pattern of [(MeCp)_3PrCl]"-  

International Nuclear Information System (INIS)

The absorption and magnetic circular dichroism spectra of [N(n-Bu)_4]"+[(MeCp)_3PrCl]"- dissolved in 2-MeTHF were measured at room and at low temperatures. On the basis of these spectra the crystal field splitting pattern could be derived. The parameters of an empirical Hamiltonian were fitted to the energies of 42 levels to give an r.m.s. deviation of 23 cm"-"1. From the crystal field parameters obtained the crystal field strength of the ligand collective was estimated. Compared with neutral Cp_3Pr circle B complexes the crystal field strength of the anionic [(MeCp)_3PrCl]"- moiety is unusually low. (orig.)

1998-07-24

146

Electronic structures of highly symmetrical compounds of f elements. XXXI. Simulation of the crystal field splitting pattern of (THF)_3Li(#mu#-Cl)Nd[N(SiMe_3)_2]_3  

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

1998-07-24

147

Effective equations of motion for constrained quantum systems: A study of the Bianchi I loop quantum cosmology  

CERN Document Server

A new mathematical framework is formulated to derive the effective equations of motion for the constrained quantum system which possesses an internal clock. In the realm close to classical behavior, the quantum evolution is approximated by a finite system of coupled but ordinary differential equations adhered to the weakly imposed Hamiltonian constraint. For the simplified version of loop quantum cosmology in the Bianchi I model with a free massless scalar filed, the resulting effective equations of motion affirm the bouncing scenario predicted by the previous studies: The big bang singularity is resolved and replaced by the big bounces, which take place up to three times, once in each diagonal direction, whenever the directional density approaches the critical value in the regime of Planckian density. It is also revealed that back-reaction arises from the quantum corrections and modifies the precise value of the directional density at the bouncing epoch. ...

2008-01-01

148

Dynamical Quasi-Stationary States in a system with long-range forces  

CERN Document Server

The Hamiltonian Mean Field model describes a system of N fully-coupled particles showing a second-order phase transition as a function of the energy. The dynamics of the model presents interesting features in a small energy region below the critical point. In particular, when the particles are prepared in a ``water bag'' initial state, the relaxation to equilibrium is very slow. In the transient time the system lives in a dynamical quasi-stationary state and exhibits anomalous (enhanced) diffusion and L\\'evy walks. In this paper we study temperature and velocity distribution of the quasi-stationary state and we show that the lifetime of such a state increases with N. In particular when the $N\\to \\infty$ limit is taken before the $t \\to \\infty$ limit, the results obtained are different from the expected canonical predictions. This scenario seems to confirm a recent conjecture proposed by C.Tsallis.

2001-01-01

149

Dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states  

International Nuclear Information System (INIS)

The energy levels, wavelengths, oscillator strengths, Auger rates and level-to-level dielectronic recombination rate coefficients describing dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states are calculated. Our calculations are based on Dr. R.D. Cowan's semi-relativistic mass-velocity and Darwin corrections are included in the Hamiltonian, and the distorted-wave model is used for the calculation of free electron wavefunctions. In order to set the recombination rate coefficients on a level by level basis, in a manner compatible with detailed level population kinetics modelling of highly-stripped ions in plasma, the dielectronic recombination rate coefficients as a function of free electron temperatures are given in an analytical form, which is not only very convenient in practice, but also hopefully accurate compared with the exactly calculated numerical results. (orig.).

1993-01-01

150

Crystal Field Studies on MgGa2O4:Ni2+  

International Nuclear Information System (INIS)

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

2010-08-04

151

BPS Condensates, Matrix Models and Emergent String Theory  

CERN Document Server

A prescription is given for computing anomalous dimensions of single trace operators in SYM at strong coupling and large $N$ using a reduced model of matrix quantum mechanics. The method involves treating some parts of the operators as "BPS condensates" which, in certain limit, have a dual description as null geodesics on the $S^5$. In the gauge theory, the condensate is similar to a representative of the chiral ring and it is described by a background of commuting matrices. Excitations around these condensates correspond to excitations around this background and take the form of ``string bits" which are dual to the "giant magnons" of Hofman and Maldacena. In fact, the matrix model approach gives a {\\it quantum} description of these string configurations and explains why the infinite momentum limit suppresses the quantum effects. This method allows, not only to derive part of the classical sigma model Hamiltonian of the dual string (in the infinite momentum ...

2007-01-01

152

Algebraic structures and eigenstates for integrable collective field theories  

International Nuclear Information System (INIS)

Conditions for the construction of polynomial eigen-operators for the Hamiltonian of collective string field theories are explored. Such eigen-operators arise for only one monomial potential v(x)=#mu#x"2 in the collective field theory. They form a w_#infinity#-algebra isomorphic to the algebra of vertex operators in 2d gravity. Polynomial potentials of orders only strictly larger or smaller than 2 have no non-zero-energy polynomial eigen-operators. This analysis leads us to consider a particular potential #nu#(x)=#mu#x"2+g/x"2. A Lie algebra of polynomial eigen-operators is then constructed for this potential. It is a symmetric 2-index Lie algebra, also represented as a subalgebra of U(sl(2)). (orig.).

1992-02-01

153

High Velocity Molecular Outflows In Massive Cluster Forming Region G10.6-0.4  

CERN Document Server

We report the arcsecond resolution SMA observations of the $^{12}$CO (2-1) transition in the massive cluster forming region G10.6-0.4. In these observations, the high velocity $^{12}$CO emission is resolved into individual outflow systems, which have a typical size scale of a few arcseconds. These molecular outflows are energetic, and are interacting with the ambient molecular gas. By inspecting the shock signatures traced by CH$_{3}$OH, SiO, and HCN emissions, we suggest that abundant star formation activities are distributed over the entire 0.5 pc scale dense molecular envelope. The star formation efficiency over one global free-fall timescale (of the 0.5 pc molecular envelope, $\\sim$10$^{5}$ years) is about a few percent. The total energy feedback of these high velocity outflows is higher than 10$^{47}$ erg, which is comparable to the total kinetic energy in the rotational motion of the dense ...

2010-01-01

154

Theory of zwitterionic molecular-based organic magnets  

British Library Electronic Table of Contents (United Kingdom)

We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.

2011-01-01

155

The radiative decays {phi}{yields}{gamma}a{sub 0}/f{sub 0} in the molecular model for the scalar mesons  

Energy Technology Data Exchange (ETDEWEB)

We investigate the radiative decays of the {phi}-meson to the scalar mesons a{sub 0}(980) and f{sub 0}(980). We demonstrate that, contrary to earlier claims, these decays should be of the same order of magnitude for a molecular state and for a compact state and, therefore, the available experimental information is consistent with both a molecular as well as a compact structure of the scalars. Thus, the radiative decays of the {phi}-meson into scalars establish a sizable K anti K component of the scalar mesons, but do not allow to discriminate between molecules and compact states. (orig.)

2005-06-01

156

An experimental and molecular-statistical study of the adsorption of the iodobenzene, 2-iodothiophene, and isomeric iodoadamantane molecules on the graphite basal face surface  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...

2011-01-01

157

Advances in molecular biology: impact on rotavirus vaccine development.  

Science.gov (United States)

The first candidate rotavirus vaccine was a live attenuated oral vaccine made by the classical empirical method of serial passage of virus in tissue culture cells. Current tetravalent vaccine candidates that are in the final stages of efficacy testing in the United States were made by genetic reassortment. This article briefly highlights how advances in the basic understanding of the molecular biology of rotaviruses have facilitated vaccine development. New approaches for second-generation vaccines and improvements in vaccine efficacy based on further exploitation of the tools and knowledge of rotavirus molecular biology and pathogenesis are discussed. PMID:8752289

1996-09-01

158

Renormalization-group theory of structural phase transitions in A-15 compounds  

Science.gov (United States)

Hamiltonians of Landau-Ginzburg-Wilson type are constructed for order parameters which are bases for certain high-dimensional irreducible or physically irreducible representations in A-15 structure. These are all the representations with wave vectors ?, X, and R and encompass cases of dimension 1, 2, 3, 4, and 6. A renormalization-group analysis was performed on each new distinct Hamiltonian using the Wilson-Fisher "? expansion" method to order ?, in order to determine fixed points and stability, and critical exponents. For representations of R wave-vector symmetry, only the two-dimensional R(1) has a stable fixed point and may produce a second-order phase transition; for all other R wave vector representations, fluctuations prevent second-order transition. No X point representation gives a second-order transition. Representations at ? which are permitted to be second order by "Landau theory" remain so in this analysis. Generally, if the ...

1978-06-01

159

A systematic analysis of the spectra of trivalent actinide chlorides in D_3_h site symmetry  

International Nuclear Information System (INIS)

The optical spectra of actinide ions in the compound AnCl_3 and doped into single crystal LaCl_3 were interpreted in terms of transitions within 5f"N configurations. Energy-level calculations were carried out using an effective operator Hamiltonian, the parameters of which were determined by fitting experimental data. Atomic and crystal-field matrices were diagonalized simultaneously assuming an approximate D_3_h site symmetry. The spectroscopic data were taken from the literature but in most cases supplemented by unpublished measurements in absorption and in fluorescence. Spectroscopic data for each ion were analyzed independently, then the model parameters were intercompared and in many cases adjusted such that in the final fitting process the principal interactions showed uniform trends in parameter values with increasing atomic number. Consistent with analyses of the spectra of lanthanide ions in both LaCl_3 and LaF_3, abrupt changes in magnitude of certain ...

1986-08-01

160

A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations  

Energy Technology Data Exchange (ETDEWEB)

We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that our implementation exhibits an excellent ...

2009-09-25

161

UPS fine structures of highest occupied band in vanadyl-phthalocyanine ultrathin film  

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet photoelectron spectra were measured for vanadyl phthalocyanine (VOPc) ultrathin films prepared on graphite to study effects of the molecular orientation and the electric dipole layer on the organic electronic states. VOPc has a permanent electric dipole perpendicular to the molecular plane, hence a well-defined electric dipole layer could be intentionally prepared by using the oriented monolayer. The observed binding-energy difference of the highest occupied molecular orbital (HOMO) bands between the oriented monolayer and the double layer was found to agree with the vacuum level shift, leading to a conclusion that the molecular energy level with respect to the substrate Fermi level is changed when the molecule is in the electric dipole layer.

2005-06-15

162

Towards a more functional concept of causality in cancer research  

UK PubMed Central (United Kingdom)

Advances in molecular technologies challenge the different concepts of causality in biology, epidemiology and multistage mathematical models. The lack of integration of the different aspects of causality...Full Text Available

163

Toward a theory of the initiation of cancer by ionizing radiation: the twin doublet pair model  

Science.gov (United States)

Models are proposed which explain the mechanism of action on a molecular level for the initiation of cancer by electrons or alpha particles. (ACR)

1980-01-01

164

The structure of receptor-associated protein (RAP)  

UK PubMed Central (United Kingdom)

The receptor-associated protein (RAP) is a molecular chaperone that binds tightly to certain newly synthesized LDL receptor family members in the endoplasmic reticulum (ER) and facilitates their delivery...Full Text Available

2007-08-01

166

The Structure of Plant Cell Walls  

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

1973-01-01

167

The Autophagy Connection  

UK PubMed Central (United Kingdom)

For a process intimately connected to an immense range of physiological processes, the molecular understanding of macroautophagy remains far from complete. Recent large-scale studies, including...Full Text Available

2010-07-20

168

Self-Organization in Coordination-Driven Self-Assembly  

UK PubMed Central (United Kingdom)

ConspectusSelf-assembly allows for the preparation of highly complex molecular and supramolecular systems from relatively simple starting materials. Typically, self-assembled...Full Text Available

2009-10-20

170

Proteinortho: Detection of (Co-)orthologs in large-scale analysis  

UK PubMed Central (United Kingdom)

BackgroundOrthology analysis is an important part of data analysis in many areas of bioinformatics such as comparative genomics and molecular phylogenetics. The ever-increasing flood...Full Text Available

171

Production of low-molecular-weight natural rubber: Comparative assessment of a nonchemical route  

British Library Electronic Table of Contents (United Kingdom)

The use of Funtumia latex and nitrobenzene as molecular weight depressants for natural rubber was studied. Portions of a given sample of natural rubber latex were treated with these materials, and this provided a means of ascertaining the amount of Funtumia latex in a blend with natural rubber that could produce a lowering of the molecular weight equivalent to that from known concentrations of nitrobenzene in natural rubber latex. The molecular weight of the products decreased to an equilibrium value after 10 h of reaction with nitrobenzene. The calculations revealed that a 27.9% substitution of natural rubber latex (300 mL) with Funtumia rubber latex achieved the same result as nitrobenzene in the same polymer at concentrations of 0.5-2.0 wt % of the dry rubber content of the latex after ...

2007-01-01

172

Orphan GPCR research  

UK PubMed Central (United Kingdom)

Orphan G protein-coupled receptors (GPCRs) are receptors lacking endogenous ligands. Found by molecular biological analyses, they became the roots of reverse pharmacology, in which receptors are attempted...Full Text Available

2008-03-01

173

New approaches to the synthesis of aromatic polyesters  

British Library Electronic Table of Contents (United Kingdom)

A new method of the synthesis of high molecular polybutylene terephthalate (PBT) is developed with the use of Irganox 1010, tris(nonylphenyl) phosphite and hypophosphite as stabilizers and boron nitride or boron oxide as a catalyst is proposed.

2009-01-01

174

Myxoviruses Monitoring in Seals Populations  

International Science & Technology Center (ISTC)

Comparative Molecular Genetic Monitoring of Myxoviruses Circulating in Populations of Seals Phoca Caspia and Phoca Sibirica in Northern Caspian Region and Lake Baikal

175

Molecules | Special Issue: Neuroactive Compounds  

Wastenet

... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...

176

Molecular cloning and analysis of lymphokines. Volume 13  

Energy Technology Data Exchange (ETDEWEB)

These proceedings collect papers on the subject of lymphokines. Topics include: DNA-cloning of mouse and human lymphokine genes, inteferons, interleukins, gene expression, tumor necrosis factors, and recombinant DNA.

1987-01-01

177

Molecular Microscopy of Brain Gangliosides: Illustrating their Distribution in Hippocampal Cell Layers  

UK PubMed Central (United Kingdom)

Gangliosides are amphiphilic molecules found in the outer layer of plasma membranes of all vertebrate...Full Text Available

2011-02-21

178

Molecular Aspects of Thyroid Hormone Actions  

UK PubMed Central (United Kingdom)

Cellular actions of thyroid hormone may be initiated within the cell nucleus, at the plasma membrane, in cytoplasm, and at the mitochondrion. Thyroid hormone nuclear receptors (TRs) mediate the biological...Full Text Available

2010-04-01

179

Mobilities of CO_2"+ and N_2O"+ in He, Ar and N_2 gases  

International Nuclear Information System (INIS)

... argon carbon dioxide cations electric fields gases helium ion mobility molecular

1976-01-01

180

Microarray-based gene expression profiles of silkworm brains  

UK PubMed Central (United Kingdom)

BackgroundMolecular genetic studies of Bombyx mori have led to profound advances in our understanding of the regulation of development. Bombyx mori brain,...Full Text Available

181

Magnetic braking of the rotation of molecular cloud cores  

International Nuclear Information System (INIS)

We investigate the magnetic braking of the core of an axisymmetric cloud whose rotation axis is parallel to the mean direction of the magnetic field. (author).

182

Liver Carcinogenesis Unit  

Science.gov (United States)

The Liver Carcinogenesis Section uses the modern technologies of molecular biology, cell biology, protein chemistry and genetics to investigate the biochemical and genetic pathways involved in human liver cancer.

183

Inhibition of barium sulfate deposition by polycarboxylates of various molecular structures  

Energy Technology Data Exchange (ETDEWEB)

To establish a relationship between the molecular structure of polycarboxylates and their growth-retarding influence on barium sulfate, seeded-suspension-growth experiments were performed at various inhibitor concentrations and pH values. Two types of polycarboxylates with a molecular structure based on their polyacrylic or maleic acid were studied. The molecular structure of these compounds were varied by particle substitution with monomers containing hydroxyl, amide, and sulfonic acid, as well as hydrophobic groups. Hydrophobic groups are detrimental to good inhibitor performance, whereas the introduction of OH, NH {sub 2}, or SO {sub 3} H groups presents opportunities to enhance the inhibitor effectiveness. The sequence in performance of the compounds on barium sulfate was compared with the sequence formerly obtained for calcium sulfate dihydrate.

1990-02-01

185

Fundamental research on explosives  

Energy Technology Data Exchange (ETDEWEB)

The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)

1983-01-01

186

Efficacy and Safety of a New Vaginal Contraceptive Antimicrobial Formulation Containing High Molecular Weight ...  

Science.gov (United States)

... commercial material manufactured utilizing chlorinated hydrocarbons for the sulfonation of a long chain polystyrene to produce high ... ...

187

Dynamic Clamp Analysis of Synaptic Integration in Sympathetic Ganglia  

UK PubMed Central (United Kingdom)

Advances in modern neuroscience require the identification of principles that connect different levels of experimental analysis, from molecular mechanisms to explanations of cellular functions,...Full Text Available

2007-11-01

188

Dense and diffuse gas in dynamically active clouds  

CERN Document Server

We investigate the chemical and observational implications of repetitive transient dense core formation in molecular clouds. We allow a transient density fluctuation to form and disperse over a period of 1 Myr, tracing its chemical evolution. We then allow the same gas immediately to undergo further such formation and dispersion cycles. The chemistry of the dense gas in subsequent cycles is similar to that of the first, and a limit cycle is reached quickly (2 - 3 cycles). Enhancement of hydrocarbon abundances during a specific period of evolution is the strongest indicator of previous dynamical history. The molecular content of the diffuse background gas in the molecular cloud is expected to be strongly enhanced by the core formation and dispersion process. Such enhancement may remain for as long as 0.5 Myr. The frequency of repetitive core formation should strongly determine the level of background ...

2006-01-01

189

Comparative genomics of insect juvenile hormone biosynthesis?  

UK PubMed Central (United Kingdom)

The biosynthesis of insect juvenile hormone (JH) and its neuroendocrine control are attractive targets for chemical control of insect pests and vectors of disease. To facilitate the molecular...Full Text Available

2006-04-01

190

Cloning of the neurodegeneration gene drop-dead and characterization of additional phenotypes of its mutation  

UK PubMed Central (United Kingdom)

Mutations in the Drosophila gene drop-dead (drd) result in early adult lethality and neurodegeneration, but the molecular identity of the drd...Full Text Available

2008-01-01

191

Cellular and molecular response of human macrophages exposed to Aggregatibacter actinomycetemcomitans leukotoxin  

UK PubMed Central (United Kingdom)

Aggregatibacter (Actinobacillus) actinomycetemcomitans is a facultative anaerobic gram-negative bacterium associated with severe forms of periodontitis. A leukotoxin, which belongs...Full Text Available

2011-03-01

192

Cellular and Molecular Mechanisms of Bone Remodeling*  

UK PubMed Central (United Kingdom)

Physiological bone remodeling is a highly coordinated process responsible for bone resorption and formation and is necessary to repair damaged bone and to maintain mineral homeostasis. In addition to...Full Text Available

2010-08-13

193

Allozyme Divergence in Two Syntopic Liolaemus of the Liolaemus monticola Group (Squamata: Tropiduridae)  

Science.gov (United States)

... shareware for population genetic analysis. Molecular Biology and Biotecnology Centre, Univ. of Alberta, Canada. enlarge figure Fig. ... ...

194

Report of National Cancer Institute symposium: comparison of mechanisms of carcinogenesis by radiation and chemical agents. I. Common molecular mechanisms  

Science.gov (United States)

Some aspects of molecular mechanisms common to radiation and chemical carcinogenesis are discussed, particularly the DNA damage done by these agents. Emphasis is placed on epidemiological considerations and on dose-response models used in risk assessment to extrapolate from experimental data obtained at high doses to the effects from long-term, low-level exposures. 3 references, 6 figures. (ACR)

1984-01-01

195

Quantum mechanical interpretation for the role of polyamines in acid corrosion inhibition  

International Nuclear Information System (INIS)

The inhibitor action of unbranched polyamines on corrosion of low-carbon steel in 0.5 M sulfuric acid is studied through potentiostatic polarization curves. It is shown that the inhibitor efficiency I depends on the polyamine concentration and molecular structure. The quantum-mechanical calculations of molecular properties are accomplished through the MNDO method. Correlation between the measured I and physicochemical properties of the polyamine inhibitors in protonized and nonprotonized form is found with application of the general perturbation theory

196

Pharmaceutics | Special Issue: Molecular Imaging  

Wastenet

...) Abstract: Fluorescence microscopic imaging is widely used in biomedical research to study molecular and cellular processes in cell culture or tissue samples. This is motivated by the high inherent sensitivity of fluorescence techniques, the spatial resolution that compares favorably with cellular dimensions, the stability of the fluorescent labels used and the sophisticated strategies that have been developed for selectively labeling target molecules. More recently, two and ...

197

Molecular recognition of nitrated fatty acids by PPAR[gamma  

Energy Technology Data Exchange (ETDEWEB)

Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.

2010-03-08

198

Molecular model for de Vries type smectic A - smectic C phase transition in liquid crystals  

CERN Document Server

We develop a theory of Smectic A - Smectic C phase transition with anomalously weak smectic layer contraction. We construct a phenomenological description of this transition by generalizing the Chen-Lubensky model. Using a mean-field molecular model, we demonstrate that a relatively simple interaction potential suffices to describe the transition. The theoretical results are in excellent agreement with experimental data.

2007-01-01

199

Molecular methods  

Energy Technology Data Exchange (ETDEWEB)

Chapter 5, describes some of the most important molecular methods used in the study of chromosome structure and function. The methods discussed include fragmentation of DNA, cloning, flow cytometry and chromosome sorting, is situ hybridization, polymerase chain reaction (PCR), and yeast artificial chromosomes (YACs). 18 refs., 3 figs., 1 tab.

1993-12-31

200

Molecular dynamics simulation of nanoctrystalline nickel: structure and mechanical properties  

Energy Technology Data Exchange (ETDEWEB)

Molecular dynamics computer simulations of a dense nanocrystalline Nickel sample are performed on the parallel Cray T3 (EPFL-Lausanne). The sample contains 50 grains with an average size of 3 nm. By perturbing the relaxed configuration elastic and plastic properties are studied. (author) 1 fig., 1 ref.

1996-10-01

201

Metalloporphyrin catalysts for oxygen reduction developed using computer-aided molecular design  

Energy Technology Data Exchange (ETDEWEB)

The objective of this project is the development of a new class of metalloporphyrin materials used as catalsyts for use in fuel cell applications. The metalloporphyrins are excellent candidates for use as catalysts at both the anode and cathode. The catalysts reduce oxygen in 1 M potassium hydroxide, as well as in 2 M sulfuric acid. Covalent attachment to carbon supports is being investigated. The computer-aided molecular design is an iterative process, in which experimental results feed back into the design of future catalysts.

1996-04-01

202

Metal nanoparticle inks  

Energy Technology Data Exchange (ETDEWEB)

Stabilized silver particles comprise particles comprising silver, a short-chain capping agent adsorbed on the particles, and a long-chain capping agent adsorbed on the particles. The short-chain capping agent is a first anionic polyelectrolyte having a molecular weight (Mw) of at most 10,000, and the long-chain capping agent is a second anionic polyelectrolyte having a molecular weight (Mw) of at least 25,000. The stabilized silver particles have a solid loading of metallic silver of at least 50 wt %.

2011-04-12

203

Catalytic chemistry  

Energy Technology Data Exchange (ETDEWEB)

Most chemical reactions in industry and biology are catalytic and play a role at some stage of the processing of about 80% of the goods manufactured in the U.S., yet catalysis is a neglected subject in chemical education. This book integrates the fragmentary treatment accorded the topic until now. It covers, in a unified way, catalysis in solutions, by enzymes, in synthetic polymers within the molecular scale cages of zeolites and other molecular sieves, and on surfaces of inorganic solids. The central ideas are chemical; and principles are illustrated by emphasizing industrial reactions and catalysts.

1991-01-01

204

Ab initio molecular dynamics with born-oppenheimer and extended lagrangian methods using atom centered basis functions  

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

2003-06-01

205

2004 Reversible Associations in Structure & Molecular Biology  

Energy Technology Data Exchange (ETDEWEB)

The Gordon Research Conference (GRC) on 2004 Gordon Research Conference on Reversible Associations in Structure & Molecular Biology was held at Four Points Sheraton, CA, 1/25-30/2004. The Conference was well attended with 82 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students.

2005-03-23

206

The Distribution and Condition of the Warm Molecular Gas in Abell 2597 and Sersic 159-03  

CERN Document Server

We have used the SINFONI integral field spectrograph to map the near-infrared K-band emission lines of molecular and ionised hydrogen in the central regions of two cool core galaxy clusters, Abell 2597 and Sersic 159-03. Gas is detected out to 20 kpc from the nuclei of the brightest cluster galaxies and found to be distributed in clumps and filaments around it. The ionised and molecular gas phases trace each other closely in extent and dynamical state. Both gas phases show signs of interaction with the active nucleus. Within the nuclear regions the kinetic luminosity of this gas is found to be somewhat smaller than the current radio luminosity. Outside the nuclear region the gas has a low velocity dispersion and shows smooth velocity gradients. There is no strong correlation between the intensity of the molecular and ionised gas emission and either the radio or X-ray emission. The molecular gas in Abell ...

2010-01-01

207

Maintenance and regulation of extracellular volume and the ion environment in Drosophila larval nerves.  

Science.gov (United States)

In mammals and insects, paracellular blood barriers isolate the nervous system from the rest of the animal. Glia and accessory cells of the nervous system use pumps, channels, cotransporters, and exchangers collectively to maintain the extracellular ion environment and osmotic balance in the nervous system. At present, the molecular mechanisms that regulate this process remain unclear. In humans, loss of extracellular ion and volume regulation in the nervous system poses serious health threats. Drosophila is a model genetic organism with a proven track record for uncovering molecular mechanisms relevant to human health and disease. Here, we review what is known about extracellular ion and volume regulation in larval abdominal nerves, present some new data about the impact of neural activity on the extracellular environment, and relate the findings to mammalian systems. Homologies have been found at the level of morphology, physiology, ...

2011-02-08

208

Variational approach to nuclear matter  

International Nuclear Information System (INIS)

We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in the neutron star crust obtained by the TF calculation are reasonable. The free ...

2010-12-01

209

The mixmaster universe in Horava-Lifshitz gravity  

Energy Technology Data Exchange (ETDEWEB)

We consider spatially homogeneous (but generally non-isotropic) cosmologies in the recently proposed Horava-Lifshitz gravity and compare them to those of general relativity using Hamiltonian methods. In all cases, the problem is described by an effective point particle moving in a potential well with exponentially steep walls. Focusing on the closed-space cosmological model (Bianchi type IX), the mixmaster dynamics is now completely dominated by the quadratic Cotton tensor potential term for a very small volume of the universe. Unlike general relativity, where the evolution toward the initial singularity always exhibits chaotic behavior with alternating Kasner epochs, the anisotropic universe in Horava-Lifshitz gravity (with parameter lambda > 1/3) is described by a particle moving in a frozen potential well with fixed (but arbitrary) energy E. Alternating Kasner epochs still provide a good description of the early universe for very large E, but the ...

2010-02-21

210

The mixmaster universe in Horava-Lifshitz gravity  

International Nuclear Information System (INIS)

We consider spatially homogeneous (but generally non-isotropic) cosmologies in the recently proposed Horava-Lifshitz gravity and compare them to those of general relativity using Hamiltonian methods. In all cases, the problem is described by an effective point particle moving in a potential well with exponentially steep walls. Focusing on the closed-space cosmological model (Bianchi type IX), the mixmaster dynamics is now completely dominated by the quadratic Cotton tensor potential term for a very small volume of the universe. Unlike general relativity, where the evolution toward the initial singularity always exhibits chaotic behavior with alternating Kasner epochs, the anisotropic universe in Horava-Lifshitz gravity (with parameter #lambda# > 1/3) is described by a particle moving in a frozen potential well with fixed (but arbitrary) energy E. Alternating Kasner epochs still provide a good description of the early universe for very large E, but the evolution ...

2010-02-21

211

Study of the electron paramagnetic resonance spectra of Zn(antipyrine)_2(NO_3)_2:VO"2"+  

International Nuclear Information System (INIS)

In this work, a full ligand-field energy matrix (10x10) diagonalization treatment for 3d"1 ions in tetragonal symmetry is developed on the basis of the two-s.o.-coupling-parameter model. Spin Hamiltonian parameters (g factors g_|_|, g_p_e_r_p_e_n_d_i_c_u_l_a_r and hyperfine structure constants A_|_|, A_p_e_r_p_e_n_d_i_c_u_l_a_r) of the tetragonal V"4"+ center in Zn(antipyrine)_2(NO_3)_2 are calculated from the complete energy matrix diagonalization method and the perturbation theory method. The calculated results from both methods are not only close to each other but also in good agreement with the experimental values. Furthermore, the compressed defect structure of V"4"+ center is discussed.

2010-08-01

212

Spectroscopic properties of Er"3"+ ions in cadmium and alkali cadmium borosulphate glasses  

International Nuclear Information System (INIS)

Spectroscopic properties of Er"3"+ : CBS (CdSO_4 + B_2O_3 and R_2SO_4 + CdSO_4 + B_2O_3, R_2SO_4 = Li_2SO_4.H_2O, Na_2SO_4, K_2SO_4 and Gd_2(SO_4)_3.8H_2O) glasses are reported. The assigned energy level data of Er"3"+(4f"1"1) in these glasses are analysed in terms of a parametrized model Hamiltonian. The standard deviations of the data fits are between 39 and 47 cm"-"1 so that the energy level schemes of the Er"3"+(4f"1"1) ions in borosulphate (CBS) glasses are reasonably well reproduced. Radiative properties for the fluorescent levels of Er"3"+ : CBS glasses are determined by using the Judd-Ofelt theory. The potential laser transitions are identified with the help of predicted radiative properties which are compared and discussed with similar results. (author).

1997-01-01

213

Some remarks on the coherent-state variational approach to nonlinear boson models  

CERN Document Server

The mean-field pictures based on the standard time-dependent variational approach have widely been used in the study of nonlinear many-boson systems such as the Bose-Hubbard model. The mean-field schemes relevant to Gutzwiller-like trial states $|F>$, number-preserving states $|\\xi >$ and Glauber-like trial states $|Z>$ are compared to evidence the specific properties of such schemes. After deriving the Hamiltonian picture relevant to $|Z>$ from that based on $|F>$, the latter is shown to exhibit a Poisson algebra equipped with a Weyl-Heisenberg subalgebra which preludes to the $|Z>$-based picture. Then states $|Z>$ are shown to be a superposition of $\\cal N$-boson states $|\\xi>$ and the similarities/differences of the $|Z>$-based and $|\\xi>$-based pictures are discussed. Finally, after proving that the simple, symmetric state $|\\xi>$ indeed corresponds to a SU(M) coherent state, a dual version of states $|Z>$ and ...

2008-01-01

214

Sequence of Potentials Lying Between the U(5) and X(5) Symmetries  

CERN Document Server

Starting from the original collective Hamiltonian of Bohr and separating the beta and gamma variables as in the X(5) model of Iachello, an exactly soluble model corresponding to a harmonic oscillator potential in the beta-variable (to be called X(5)-$\\beta^2$) is constructed. Furthermore, it is proved that the potentials of the form $\\beta^{2n}$ (with n being integer) provide a ``bridge'' between this new X(5)-$\\beta^2$ model (occuring for n=1) and the X(5) model (corresponding to an infinite well potential in the beta-variable, materialized for n going to infinity. Parameter-free (up to overall scale factors) predictions for spectra and B(E2) transition rates are given for the potentials $\\beta^2$, $\\beta^4$, $\\beta^6$, $\\beta^8$, corresponding to E(4)/E(2) ratios of 2.646, 2.769, 2.824, and 2.852 respectively, compared to the E(4)/E(2) ratios of 2.000 for U(5) and 2.904 for X(5). Hints about nuclei showing this behaviour, as well as about potentials ...

2004-01-01

215

Semirelativistic technique for k#centre dot#p calculations: Optical properties of Pd and Pt  

International Nuclear Information System (INIS)

A semirelativistic two-component extended linear augmented plane-wave k#centre dot#p method is described. In order to ensure a high accuracy of the k#centre dot#p method, it is necessary to include into the radial-basis set, which is used for the augmentation of the plane waves, functions that are neither solutions of the Schrodinger equation nor their energy derivatives. The usual scalar relativistic procedure, which is nonlinear in energy, is not applicable to such basis sets. As an alternative, we suggest an approximation to the Foldy-Wouthuysen Hamiltonian that produces an explicitly Hermitean matrix in the augmented plane wave representation. The technique is applied to the calculation of the full dielectric matrix and optical properties of palladium and platinum metals over the photon energy region up to 100 eV. Special attention is paid to the far ultraviolet absorption by the excitations of semicore Pd 4p and Pt 5p and 4f states. A strong effect of local ...

2001-06-15

216

Quarkonia and QGP studies  

CERN Document Server

We summarize results of recent studies of heavy quarkonia correlators and spectral functions at finite temperatures from lattice QCD and systematic T-matrix studies using QCD motivated finite-temperature potentials. We argue that heavy quarkonia dissociation shall occur in the temperature range $1.2 \\le T_d/T_c \\le 1.5$ by the interplay of both screening and absorption in the strongly correlated plasma medium. We discuss these effects on the quantum mechanical evolution of quarkonia states within a time-dependent harmonic oscillator model with complex oscillator strength and compare the results with data for $R_{\\rm AA}/R_{\\rm AA}^{\\rm CNM}$ from RHIC and SPS experiments. We speculate whether the suppression pattern of the rather precise NA60 data from In-In collisions may be related to the recently discovered X(3872) state. Theoretical support for this hypothesis comes from the cluster expansion of the plasma Hamiltonian for heavy quarkonia in a strongly ...

2011-01-01

217

Particle Swarm Optimization: An efficient method for tracing periodic orbits in 3D galactic potentials  

CERN Document Server

We propose the Particle Swarm Optimization (PSO) as an alternative method for locating periodic orbits in a three--dimensional (3D) model of barred galaxies. We develop an appropriate scheme that transforms the problem of finding periodic orbits into the problem of detecting global minimizers of a function, which is defined on the Poincar\\'{e} Surface of Section (PSS) of the Hamiltonian system. By combining the PSO method with deflection techniques, we succeeded in tracing systematically several periodic orbits of the system. The method succeeded in tracing the initial conditions of periodic orbits in cases where Newton iterative techniques had difficulties. In particular, we found families of 2D and 3D periodic orbits associated with the inner 8:1 to 12:1 resonances, between the radial 4:1 and corotation resonances of our 3D Ferrers bar model. The main advantages of the proposed algorithm is its simplicity, its ability to work using function values solely, as ...

2005-01-01

218

On the origin of the unconventional two-hole bound state in the t-J model  

Energy Technology Data Exchange (ETDEWEB)

We present a description of the ground state and low-lying excited states of two holes in the 4x4 cluster t-J model in terms of a simple model for the motion of a single bipolaron. The existence of short-range antiferromagnetic correlations has been assumed. According to the suggested scenario, the formation of the bipolaron is mediated by the reduction of the magnetic energy in the case of two holes occupying nearest neighbor sites. The relevant part of the Hilbert space consists of wave functions corresponding to holes oscillating around pairs of nearest neighbor sites and trapped in a potential well due to strings of spin defects. Virtual processes which connect these states involve both the kinetic term and the transverse part of the Heisenberg Hamiltonian. Many properties of energy level schemes obtained by numerical diagonalizations such as the sequence of the lowest states for each irreducible representation of the k vector point groups can be reproduced ...

1994-04-01

219

On the origin of the unconventional two-hole bound state in the t-J model  

International Nuclear Information System (INIS)

We present a description of the ground state and low-lying excited states of two holes in the 4x4 cluster t-J model in terms of a simple model for the motion of a single bipolaron. The existence of short-range antiferromagnetic correlations has been assumed. According to the suggested scenario, the formation of the bipolaron is mediated by the reduction of the magnetic energy in the case of two holes occupying nearest neighbor sites. The relevant part of the Hilbert space consists of wave functions corresponding to holes oscillating around pairs of nearest neighbor sites and trapped in a potential well due to strings of spin defects. Virtual processes which connect these states involve both the kinetic term and the transverse part of the Heisenberg Hamiltonian. Many properties of energy level schemes obtained by numerical diagonalizations such as the sequence of the lowest states for each irreducible representation of the k vector point groups can be reproduced ...

1993-08-01

220

Lattice calculation of nonleptonic charm decays  

Energy Technology Data Exchange (ETDEWEB)

The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order G{sub f} in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D {yields} K{pi}, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin {1/2} channel to which the weak annihilation process contributes exclusively. Findings from the lattice calculation are compared to ...

1991-11-01

221

Holomorphic wave function of the Universe  

Energy Technology Data Exchange (ETDEWEB)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of the quantum Universe: that the Universe ...

1990-10-15

222

Holomorphic wave function of the Universe  

International Nuclear Information System (INIS)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of the quantum Universe: that the Universe ...

223

High resolution Fourier transform spectroscopy and crystal-field analysis in Tm,Ho:BaY{sub 2}F{sub 8}  

Energy Technology Data Exchange (ETDEWEB)

A Tm{sup 3+}- Ho{sup 3+} -codoped single crystal of monoclinic BaY{sub 2}F{sub 8} has been characterized by means of high resolution FTIR spectroscopy in the wave number range 2000-24000 cm{sup -1} and in the temperature range 9-300 K. The energy level schemes of the two lanthanide ions as determined by the optical absorption spectra is presented, analyzed, and fitted within a single ion Hamiltonian model. The very small energy separation (about 0.6-1.6 cm{sup -1}) measured between the first and second sublevels of the ground state manifolds for both the ions is in line with the theoretical predictions. The impurity-phonon coupling is put into evidence by the thermally induced line shift and broadening, and by the detection of vibronic replicas of a few lines. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2005-01-01

224

High resolution Fourier transform spectroscopy and crystal-field analysis in Tm,Ho:BaY_2F_8  

International Nuclear Information System (INIS)

A Tm"3"+- Ho"3"+ -codoped single crystal of monoclinic BaY_2F_8 has been characterized by means of high resolution FTIR spectroscopy in the wave number range 2000-24000 cm"-"1 and in the temperature range 9-300 K. The energy level schemes of the two lanthanide ions as determined by the optical absorption spectra is presented, analyzed, and fitted within a single ion Hamiltonian model. The very small energy separation (about 0.6-1.6 cm"-"1) measured between the first and second sublevels of the ground state manifolds for both the ions is in line with the theoretical predictions. The impurity-phonon coupling is put into evidence by the thermally induced line shift and broadening, and by the detection of vibronic replicas of a few lines. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2005-01-01

225

Entropy, confinement, and chiral symmetry breaking  

CERN Document Server

This paper studies the way in which confinement leads to chiral symmetry breaking (CSB) through a gap equation. We argue that entropic effects cut off infrared singularities in the standard confining effective propagator $1/p^4$, which should be replaced by $1/(p^2+m^2)^2$ for a finite mass $m\\sim K_F/M(0)$ [$M(0)$ is the zero-momentum value of the running quark mass]. Extension of an old calculation of the author yields a specific estimate for $m$. This cutoff propagator shows semi-quantitatively two critical properties of confinement: 1) a negative contribution to the confining potential coming from entropic forces; 2) an infrared cutoff required by gauge invariance and CSB itself. Entropic effects lead to a proliferation of pion branches and a $\\bar{q}q$ condensate, and contribute a negative term $\\sim -K_F/M(0)$ to the effective pion Hamiltonian allowing for a massless pion in the presence of positive kinetic energy and string energy. The resulting gap ...

2010-01-01

226

Effective Dynamics, Big Bounces and Scaling Symmetry in Bianchi Type I Loop Quantum Cosmology  

CERN Document Server

The detailed formulation for loop quantum cosmology (LQC) in the Bianchi I model with a scalar massless field has been constructed. In this paper, its effective dynamics is studied in two improved strategies for implementing the LQC discreteness corrections. Both schemes show that the big bang is replaced by the big bounces, which take place up to three times, once in each diagonal direction, when the area or volume scale factor approaches the critical values in the Planck regime measured by the reference of the scalar field momentum. These two strategies give different evolutions: In one scheme, the effective dynamics is independent of the choice of the finite sized cell prescribed to make Hamiltonian finite; in the other, the effective dynamics reacts to the macroscopic scales introduced by the boundary conditions. Both schemes reveal interesting symmetries of scaling, which are reminiscent of the relational interpretation of quantum mechanics and also suggest ...

2007-01-01

227

Atomistic computer simulations of FePt nanoparticles. Thermodynamic and kinetic properties  

Energy Technology Data Exchange (ETDEWEB)

In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the disordered to the ordered state, the kinetics of the ordering ...

2007-12-20

228

Applications of Magnetic PsiDO Techniques to Space-adiabatic Perturbation Theory  

CERN Document Server

In this review, we show how advances in the theory of magnetic pseudodifferential operators (magnetic $\\Psi$DO) can be put to good use in space-adiabatic perturbation theory (SAPT). As a particular example, we extend results of [PST03] to a more general class of magnetic fields: we consider a single particle moving in a periodic potential which is subjectd to a weak and slowly-varying electromagnetic field. In addition to the semiclassical parameter $\\eps \\ll 1$ which quantifies the separation of spatial scales, we explore the influence of additional parameters that allow us to selectively switch off the magnetic field. We find that even in the case of magnetic fields with components in $C_b^{\\infty}(\\R^d)$, e. g. for constant magnetic fields, the results of Panati, Spohn and Teufel hold, i.e. to each isolated family of Bloch bands, there exists an associated almost invariant subspace of $L^2(\\R^d)$ and an effective hamiltonian which generates the dynamics ...

2010-01-01

229

Anisotropy in Magnetic Properties and Electronic Structure of Single Crystal LiFePO4  

Energy Technology Data Exchange (ETDEWEB)

We report the experimental and theoretical results on the anisotropies in the magnetic properties and x-ray absorption spectra of single-crystal LiFePO4. A mean-field theory is developed to explain the observed strong anisotropies in Lande g-factor, paramagnetic Curie temperature, and effective moment for LiFePO4 single crystals. The values of the in-plane nearest- and next-nearest-neighbor spin exchange (J1 and J2), interplane spin exchange (J{perpendicular}), and single-ion anisotropy (D), obtained recently from neutron scattering measurements, are used for calculating the Curie temperatures with the formulas derived from the mean-field Hamiltonian. It is found that the calculated Curie temperatures match well with that obtained by fitting the magnetic susceptibility curves to the modified Curie-Weiss law. For the polarized Fe K-edge x-ray absorption spectra of single-crystal LiFePO4, a different feature assignment for the 1s4p transition features is proposed and ...

2008-01-01

230

Anisotropic magnetism in hybridizing uranium systems  

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the hybridization-induced ...

231

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation  

CERN Document Server

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach the chemical accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn-Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn-Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous ...

2011-01-01

232

Molecular orbitals of nucleons in nucleus-nucleus collisions  

International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational ...

233

Synthesis, Herbicidal Activities and Comparative Molecular Field Analysis Study of Some Novel Triazolinone Derivatives  

British Library Electronic Table of Contents (United Kingdom)

A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...

2009-01-01

234

Suitability of Molecular Markers for Selection of Potatoes Resistant to Globodera spp  

British Library Electronic Table of Contents (United Kingdom)

Globodera rostochiensis and Globodera pallida are parasitic root cyst nematodes of potato (PCN), which significantly reduce yield and quality. The genetics and available molecular markers should make resistance to nematodes an excellent candidate for marker assisted selection. The study presents results of testing the suitability of known molecular markers for detection of resistance in a set of cultivars. We revealed some inconsistencies in genealogical data of the cultivars and showed inconsistent usefulness in detecting resistant cultivars. The marker TG689 was identified in almost all cultivars resistant to G. rostochiensis and together with other markers was used for verifying the resistance in a group of breeding lines. The marker TG689 was the most effective. However, the efficiency...

2011-01-01

235

Shale oil value enhancement research. Quarterly report, October 1, 1993--December 31, 1993  

Energy Technology Data Exchange (ETDEWEB)

The first year of this effort was focussed on the following broad objectives: (1) Analyze the molecular types present in shale oil (as a function of molecular weight distribution); (2) Determine the behavior of these molecular types in liquid-liquid extraction; (3) Develop the analytical tools needed to systematize the process development; (4) Survey the markets to assure that these have high value uses for the types found in shale oil; (5) Explore selective process means for extracting/converting shale oil components into concentrates of potentially marketable components; (6) Compile overview of the venture development strategy and begin implementation of that strategy. Each of these tasks has been completed in sufficient detail that we can now focus on filling in the knowledge gaps evident from the overview.

1997-05-01

236

Pursuing laplace`s vision on modern computers  

Energy Technology Data Exchange (ETDEWEB)

This contribution is an informal essay based on a talk delivered at the Institute for Mathematics and its Applications (IMA) in Minneapolis, under the summer program in molecular biology, July 18-22, 1994. I exclude many technical details, which can be found elsewhere, and instead focus on the basic ideas of molecular dynamics simulations, with the goal of conveying to students and non-specialists the key concepts of the theory and practice of large-scale simulations. Following a description of the basic idea in molecular dynamics, I discuss some of the practical details involved in simulations of large biological molecules, the numerical timestep problem, and approaches to this problem based on implicit-integration techniques. I end with a perspective of open challenges in the field and directions for future research. 79 refs., 6 figs., 1 tab.

1996-12-31

237

Predicting the proton conductivity of perfluorosulfonic acid membrane via combining statistical thermodynamics and molecular dynamics simulation  

British Library Electronic Table of Contents (United Kingdom)

Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...

2011-01-01

238

Monolayers at air-water interfaces: from origins-of-life to nanotechnology  

British Library Electronic Table of Contents (United Kingdom)

Abstract The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers a...

2011-01-01

239

Molecular biology of the renin-angiotensin system  

Energy Technology Data Exchange (ETDEWEB)

This paper reviews the molecular biology of the renin-angiotensin system. The renin gene structure is analyzed in detail, including an examination of the putative regulatory regions. The combined action of these regulatory sequences would result in the complex, tissue-specific expression and regulation observed in vivo. The expression of the tissue renin-angiotensin systems, which may have important physiological functions, is also described. In addition, the pathway of renin biosynthesis and secretion is reviewed. This includes speculation on the fate of circulating prorenin and the physiological role of multiple renin forms and secretory pathways. The molecular approaches described in this paper have greatly advanced our knowledge of the biology of the renin-angiotensin system. Future studies using these and other approaches should provide further insight into this complex system.

1988-10-01

240

Modelling the tribology of thin film interfaces  

CERN Document Server

substrate). Within each group of simulations, three lubricant film thicknesses are studied to examine the effect of varying lubricant thickness. Statistical data are collected from each simulation and presented in this work. Via these data, together with the evolution, of atomic and molecular configurations, a very detailed picture of the properties of this thin film interface is presented. In particular, we conclude that perfluoropolyether lubricant forms distinct molecular layers when confined between two substrates, the rate of heat generation under shearing conditions typical of those in a head-disk interface is insufficient for thermal mechanisms to result directly in lubricant degradation, and mechanical stresses attained in the head-disk interface are unlikely to result in any significant degree of lubricant degradation. This thesis examines the tribology of a head-disk interface in an operating hard disk drive via non-equilibrium ...

2000-01-01

241

Metal work function tuning with new molecular acceptors  

Energy Technology Data Exchange (ETDEWEB)

The interfaces between metal electrodes and electroactive organic materials are important for the performance of organic electronic devices. One way of optimizing the anode/organic interface is the insertion of a (sub-)monolayer of molecular acceptors. Here we present an UPS study of new electron acceptor molecules deposited on Au(111), Cu(111) and Ag(111). This study intends to improve the understanding of how the interactions of specific electron withdrawing groups with metal surfaces are correlated with observed modifications of interfacial electron density distribution, work function change ({delta}{phi}), and the energy level alignment. We find that {delta}{phi}, which is the difference between the work function ({phi}) of the clean metal surface and {phi} after formation of a molecular monolayer, is a monotonic function of initial {phi} of the metal. Two different slopes were observed for acceptors with cyano and those with keto or nitro ...

2008-07-01

242

Low-temperature oxidative degradation of PBX 9501 and its components determined via molecular weight analysis of the Poly[ester urethane] binder  

British Library Electronic Table of Contents (United Kingdom)

The results of following the oxidative degradation of a plastic-bonded explosive (PBX 9501) are reported. Into over 1100 sealed containers were placed samples of PBX 9501 and combinations of its components and aged at relatively low temperatures to induce oxidative degradation of the samples. One of the components of the explosive is a poly(ester urethane) polymer and the oxidative degradation of the samples were following by measuring the molecular weight change of the polymer by gel permeation chromatography (coupled with both differential refractive index and multiangle laser light scattering detectors). Multiple temperatures between 40 and 64 degreeC were used to accelerate the aging of the samples. Interesting induction period behavior, along with both molecular weight increasing (cro...

2009-01-01

243

Fermionic molecular dynamics for ground states and collisions of nuclei  

International Nuclear Information System (INIS)

The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting fermionic molecular dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. ((orig.)).

244

Direct observation of polymerization in the oleic acid-ozone heterogeneous reaction system by photoelectron resonance capture ionization aerosol mass spectrometry  

British Library Electronic Table of Contents (United Kingdom)

High molecular weight products of the ozonolysis reaction of particle-phase 9-octadecenoic acid (oleic acid) have been studied by photoelectron resonance capture ionization (PERCI) mass spectrometry (MS). Oleic acid particles ( Formula Not Shown , Formula Not Shown ) were reacted with ozone (1.8x10-4atm) in a flow reactor at reaction times of 8 and 23s. Particles were sampled on-line with a differentially pumped particle inlet and chemically analyzed by PERCI-MS. PERCI is a soft ionization method that permits the direct measurement of relatively high molecular weight compounds, facilitating molecular identification. In addition to cyclic oxygenates, such as secondary ozonides and geminal diperoxides that were reported previously, we demonstrate the formation of polymers at the particle sur...

2006-01-01

245

Chemistry of dense clumps near moving Herbig-Haro objects  

British Library Electronic Table of Contents (United Kingdom)

Abstract Localized regions of enhanced emission from HCO+, NH3 and other species near Herbig-Haro objects (HHOs) have been interpreted as arising in a photochemistry stimulated by the HHO radiation on high-density quiescent clumps in molecular clouds. Static models of this process have been successful in accounting for the variety of molecular species arising ahead of the jet; however, recent observations show that the enhanced molecular emission is widespread along the jet as well as ahead. Hence, a realistic model must take into account the movement of the radiation field past the clump. It was previously unclear as to whether the short interaction time between the clump and the HHO in a moving source model would allow molecules such as HCO+ to reach high enough levels, and to survive fo...

2011-01-01

246

An experimental and molecular-statistical study of the adsorption of the iodobenzene, 2-iodothiophene, and isomeric iodoadamantane molecules on the graphite basal face surface  

Science.gov (United States)

The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?( r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of the F, Cl, Br, and I atoms to the thermodynamic characteristics of adsorption was performed for the nonspecific adsorption of these compounds on a plane ...

2011-04-01

247

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples  

British Library Electronic Table of Contents (United Kingdom)

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...

2007-01-01

248

Adsorption and Dissociation of Molecular Hydrogen on the (0001) Surface of DHCP Americium  

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

2009-03-01

249

Accelerated aging speeds test of instrument reliability  

International Nuclear Information System (INIS)

This paper shows how molecular theory paves the way for accelerated aging tests of safety-related equipment in nuclear power plants, as required by NRC qualification programs. Arrhenius' model, based on an equation, provides useful information regarding the extent of molecular change as a function of time and temperature. Critical to determining the aging characteristics and qualified life of organic materials is the activation energy concept, which is derived from information gathered when the molecular reaction of the material is documented over the entire life cycle. In accelerated-aging applications, the importance of the model lies in characterizing the chemical related reactions of materials. The problem with the Arrhenius approach is that, in generating a testing period of reasonable duration, a rather high test temperature must be selected which may lead to an added and unrelated environmental effect.

1982-01-01

250

[Malignant transformation of human fibroblasts by neutrons and by gamma radiation: Relationship to mutations induced  

Energy Technology Data Exchange (ETDEWEB)

A brief overview if provided of selected reports presented at the International Symposium on Molecular Mechanisms of Radiation- and Chemical Carcinogen-Induced Cell Transformation held at Mackinac Island, Michigan on September 19-23, 1993.

1993-12-31

251

X rays in molecular biophysics  

Energy Technology Data Exchange (ETDEWEB)

An atom-by-atom understanding of life processes is emerging from a flurry of experiments fueled by synchrotron sources and DNA technology. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}.

1995-11-01

252

Voluntary exercise improves insulin sensitivity and adipose tissue inflammation in diet-induced obese mice  

UK PubMed Central (United Kingdom)

Exercise promotes weight loss and improves insulin sensitivity. However, the molecular mechanisms mediating its beneficial effects are not fully understood. Obesity correlates with increased production...Full Text Available

2008-09-01

253

Upgrading low molecular weight hydrocarbons  

Energy Technology Data Exchange (ETDEWEB)

This patent describes a process for the conversion of low molecular weight alkanes to higher molecular weight hydrocarbons. It comprises: contacting the low molecular weight alkanes, at an elevated temperature, with oxygen and a catalyst of the formula Zn{sub a}A{sub b}M{sub c}M'{sub d}O{sub x} wherein A is Li, Na, K, or mixtures thereof; M is Al, Ga, Cr, La, Y, Sc, V, Nb, Ta, Cu or mixtures thereof; M' is Cs, Rb, Mg, Ca, Sr, Ba, Sm, Pb, Mn, Sb, P, Sn, Bi, Ti, Zr, Hf, or mixtures thereof; a if from about 1 to about 20; b is from about 0.1 to about 20; c is from about 0 to about 5 d is from about 0 to about 20, and x is a number needed to fulfill the valence requirements of the other elements; provided that at least one c and d is a t least 0.1; and when M' is Sn, c must be at least 0.1.

1989-12-12

254

Twist-1 is a PPAR ?-inducible, negative feedback regulator of PGC-1 ? in brown fat metabolism  

UK PubMed Central (United Kingdom)

SummaryBrown fat is specialized in energy expenditure, a process that is principally controlled by the transcriptional co-activator PGC-1α. Here we describe a molecular...Full Text Available

2009-04-03

255

The pharmacology and molecular mechanisms underlying temperature regulation and torpor  

UK PubMed Central (United Kingdom)

The ability to enter a hypometabolic state upon restriction of caloric intake is pivotal for animal survival: balancing the energy budget in endotherms can be a real struggle when food is not...Full Text Available

2008-10-01

256

The molecular lesion in the alpha-N-acetylgalactosaminidase gene that causes angiokeratoma corporis diffusum with glycopeptiduria.  

UK PubMed Central (United Kingdom)

Angiokeratoma corporis diffusum with glycopeptiduria is a recently recognized inborn error of glycoprotein catabolism resulting from the deficient activity of human alpha-N-acetylgalactosaminidase (E.C....Full Text Available

1994-08-01

257

The immunohistochemistry of invasive and proliferative phenotype switching in melanoma: a case report  

UK PubMed Central (United Kingdom)

PurposeTo date there remains no effective therapy for metastatic melanoma and at the molecular level disease progression remains poorly understood. Recent work by...Full Text Available

2010-08-01

258

The hemoglobins of the trematodes Fasciola hepatica and Paramphistomum epiclitum: A molecular biological, physico-chemical, kinetic, and vaccination study  

UK PubMed Central (United Kingdom)

The trematode Fasciola hepatica (Fa.he.) is a common parasite of human and livestock. The hemoglobin (Hb) of Fa.he., a potential immunogen, was chosen for characterization...Full Text Available

2008-10-01

259

The erratic mitochondrial clock: variations of mutation rate, not population size, affect mtDNA diversity across birds and mammals  

UK PubMed Central (United Kingdom)

BackgroundDuring the last ten years, major advances have been made in characterizing and understanding the evolution of mitochondrial DNA, the most popular marker of molecular biodiversity....Full Text Available

260

The Dynamical Mechanism of Auto-Inhibition of AMP-Activated Protein Kinase  

UK PubMed Central (United Kingdom)

We use a novel normal mode analysis of an elastic network model drawn from configurations generated during microsecond all-atom molecular dynamics simulations to analyze the mechanism of auto-inhibition...Full Text Available

2011-07-01

261

The Biochemical and Molecular Basis for the Divergent Patterns in the Biosynthesis of Terpenes and Phenylpropenes in the Peltate Glands of Three Cultivars of Basil1  

UK PubMed Central (United Kingdom)

Surface glandular trichomes distributed throughout the aerial parts of sweet basil (Ocimum basilicum) produce and store monoterpene, sesquiterpene, and phenylpropene volatiles. Three...Full Text Available

2004-11-01

262

Technical and clinical assessment of oxygen concentrators.  

UK PubMed Central (United Kingdom)

One membrane oxygen enricher (Oxygen Enrichment Company OE-4E) and four molecular sieve (MS) concentrators (Mountain Medical Econo2, De Vilbiss MINI DeVO2, Cryogenic Roomate III, and Mountain Medical...Full Text Available

1985-11-01

263

Synchrotron PES and NEXAFS studies of self-assembled aromatic thiol monolayers on Au(1 1 1)  

Energy Technology Data Exchange (ETDEWEB)

Self-assembled monolayers (SAMs) on various metal, semiconductor or insulator substrates can be easily modified with specific functional groups of interest and have promising applications in surface wetting (hydrophobic/hydrophilic modification), tribology, corrosion protection, sensor electrodes modification, molecular and biomolecular recognition, protein adsorption, cell adhesion, and molecular- or organic-electronic device fabrications. In this paper, we highlight recent progress in the development of SAMs on solid substrates as well as their practical applications, with particular emphasis on the characterization of self-assembled aromatic thiol monolayers with different functional groups on Au(1 1 1) using synchrotron-based photoemission spectroscopy and near-edge X-ray absorption fine structure measurements. The SAM-related molecular orientation, electronic structures, and chemical bonding are presented. Using ...

2009-05-15

264

Study on the variations of molecular structures of some biomolecules induced by free electron laser using FTIR spectroscopy  

International Nuclear Information System (INIS)

In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, which may be prompted by multiple photons process induced by FEL. ...

2007-05-01

265

Stressed-Induced TMEM135 Protein Is Part of a Conserved Genetic Network Involved in Fat Storage and Longevity Regulation in Caenorhabditis elegans  

UK PubMed Central (United Kingdom)

Disorders of mitochondrial fat metabolism lead to sudden death in infants and children. Although survival is possible, the underlying molecular mechanisms which enable this outcome have not yet been...Full Text Available

266

Stress Resistance and Longevity Are Not Directly Linked to Levels of Enzymatic Antioxidants in the Ponerine Ant Harpegnathos saltator  

UK PubMed Central (United Kingdom)

BackgroundThe molecular mechanisms of variations in individual longevity are not well understood, even though longevity can be increased substantially by means of diverse experimental...Full Text Available

267

Statistical treatment of the inner M-shell excitation in heavy ion-atom collisions  

Energy Technology Data Exchange (ETDEWEB)

A statistical treatment has been applied to interpret the experimental data on the Xe M-shell vacancy production in slow 1.05 MeV Xe-Xe collisions and is shown to give better agreement with experiment than that of the molecular-orbital models.

1983-06-27

268

Spindle cell carcinoma of head and neck: an immunohistochemical and molecular approach to its pathogenesis  

UK PubMed Central (United Kingdom)

BackgroundSpindle cell carcinoma (SpCC) is a rare microscopic type of cancer of the mouth and oropharynx. Although SpCC is thought to arise from squamous cell carcinoma (SCC), it...Full Text Available

2007-05-01

269

Some properties of beta-toxin produced by Clostridium perfringens type C.  

UK PubMed Central (United Kingdom)

Purified beta-toxin from Clostridium perfringens type C was found to be a single polypeptide chain protein with a molecular weight of approximately 30,000. The toxin was heat labile, with 75% of its...Full Text Available

1978-08-01

270

Solution structure of two molecular motor domains: nonclaret disjunctional and kinesin.  

UK PubMed Central (United Kingdom)

The effects of selected ligands on the structure of the truncated heavy-chain chemomechanical motor domains of Drosophila ncd and human kinesin were compared using the technique of transient electric...Full Text Available

1995-04-01

271

Site-specific modification of albumin by free radicals. Reaction with copper(II) and ascorbate.  

UK PubMed Central (United Kingdom)

Exposure of albumin to Cu(II) (10-100 microM) and ascorbate (0.1-2 mM) results in extensive molecular modifications, indicated by decreased fluorescence and chain breaks. The rate of utilization of...Full Text Available

1986-06-01

272

Selective imaging of adherent targeted ultrasound contrast agents  

UK PubMed Central (United Kingdom)

The goal of ultrasonic molecular imaging is the detection of targeted contrast agents bound to receptors on endothelial cells. We propose imaging methods that can distinguish adherent microbubbles...Full Text Available

2007-04-21

273

Seizures increase cell proliferation in the dentate gyrus by shortening progenitor cell cycle length  

UK PubMed Central (United Kingdom)

PurposeA prolonged seizure, status epileptics (SE), is a potent stimulus for increased neurogenesis in the dentate gyrus of the hippocampus. Molecular mechanisms...Full Text Available

2009-11-18

274

Seasonal proteomic changes reveal molecular adaptations to preserve and replenish liver proteins during ground squirrel hibernation  

UK PubMed Central (United Kingdom)

Hibernators are unique among mammals in their ability to survive extended periods of time with core body temperatures near freezing and with dramatically reduced heart, respiratory, and metabolic rates...Full Text Available

2010-02-01

275

Schindler disease: the molecular lesion in the alpha-N-acetylgalactosaminidase gene that causes an infantile neuroaxonal dystrophy.  

UK PubMed Central (United Kingdom)

Schindler disease is a recently recognized infantile neuroaxonal dystrophy resulting from the deficient activity of the lysosomal hydrolase, alpha-N-acetylgalctosaminidase (alpha-GalNAc). The recent...Full Text Available

1990-11-01

276

Roles of lead-binding proteins in mediating lead bioavailability.  

UK PubMed Central (United Kingdom)

The intracellular bioavailability of lead (Pb) at low dosage levels in major target organs such as the kidney and brain appears to be largely determined by complexation with a group of low molecular...Full Text Available

1998-12-01

277

Reduced PCR Sensitivity Due to Impaired DNA Recovery with the MagNA Pure LC Total Nucleic Acid Isolation Kit  

UK PubMed Central (United Kingdom)

The increasing demand for molecular diagnostics in clinical microbiology laboratories necessitates automated sample processing. In the present study, we evaluated the performance of the MagNA Pure LC...Full Text Available

2005-09-01

278

Rational design of DNA sequences for nanotechnology, microarrays and molecular computers using Eulerian graphs  

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

2004-01-01

279

Rapid evolution of sessility in an endemic species flock of the freshwater bivalve Corbicula from ancient lakes on Sulawesi, Indonesia  

UK PubMed Central (United Kingdom)

The fauna of ancient lakes frequently contains taxa with highly derived morphologies that resulted from in situ radiation of lacustrine lineages with high antiquity. We employed a molecular...Full Text Available

2006-03-22

280

Quantitative structure-activity relationships of insecticides and plant growth regulators: comparative studies toward understanding the molecular mechanism of action.  

UK PubMed Central (United Kingdom)

Emphasis was put on the comparative quantitative structure-activity approaches to the exploration of action mechanisms of structurally different classes of compounds showing the same type of activity...Full Text Available

1985-09-01

281

Process for purifying alumina  

Energy Technology Data Exchange (ETDEWEB)

In a process for separating insoluble red mud from Bayer process streams the improvement is described which comprises contacting and mixing a Bayer process stream with a tertiary polyamine having a molecular weight of at least about 10,000 in an amount effective to reduce the iron content thereof.

1988-01-05

282

Probing active galactic nuclei with H2O megamasers.  

UK PubMed Central (United Kingdom)

We describe the characteristics of the rapidly rotating molecular disk in the nucleus of the mildly active galaxy NGC4258. The morphology and kinematics of the disk are delineated by the point-like...Full Text Available

1995-12-05

283

ProMoST: A tool for calculating the pI and molecular mass of phosphorylated and modified proteins on 2 dimensional gels  

UK PubMed Central (United Kingdom)

Protein modifications such as phosphorylation are often studied by two-dimensional gel electrophoresis since the perturbation in the protein’s pI value is readily detected by this method....Full Text Available

2009-01-01

284

Precise Detection and Tracing of Trichoderma hamatum 382 in Compost-Amended Potting Mixes by Using Molecular Markers  

UK PubMed Central (United Kingdom)

Randomly amplified polymorphic DNA (RAPD) analysis and the PCR assay were used in combination with dilution plating on a semiselective medium to detect and enumerate propagules of Trichoderma...Full Text Available

1999-12-01

285

Pore region of TRPV3 ion channel is specifically required for heat-activation  

UK PubMed Central (United Kingdom)

Ion-channels can be activated (gated) by a variety of stimuli including chemicals, voltage, mechanical force or temperature. Whereas molecular mechanisms of ion-channel gating by chemicals and...Full Text Available

2008-09-01

286

Phylogenetic inference in Rafflesiales: the influence of rate heterogeneity and horizontal gene transfer  

UK PubMed Central (United Kingdom)

BackgroundThe phylogenetic relationships among the holoparasites of Rafflesiales have remained enigmatic for over a century. Recent molecular phylogenetic studies using the mitochondrial...Full Text Available

287

Phenotypic Anchoring of Acetaminophen-Induced Oxidative Stress with Gene Expression Profiles in Rat Liver  

UK PubMed Central (United Kingdom)

Toxicogenomics provides the ability to examine in greater detail the underlying molecular events that precede and accompany toxicity, thus allowing prediction of adverse events at much earlier...Full Text Available

2006-09-01

288

Perspective on post-menopausal osteoporosis: establishing an interdisciplinary understanding of the sequence of events from the molecular level to whole bone fractures  

UK PubMed Central (United Kingdom)

Current drug treatments for post-menopausal osteoporosis cannot eliminate bone fractures, possibly because the mechanisms responsible for bone loss are not fully understood. Although research within...Full Text Available

2010-03-06

289

Pathogenicity of molecularly cloned bovine leukemia virus.  

UK PubMed Central (United Kingdom)

To delineate the mechanisms of bovine leukemia virus (BLV) pathogenesis, four full-length BLV clones, 1, 8, 9, and 13, derived from the transformed cell line FLK-BLV and a clone construct, pBLV913,...Full Text Available

1993-12-01

290

Partial purification and characterization of the multiple molecular forms of staphylococcal clotting activity (coagulase).  

UK PubMed Central (United Kingdom)

The clotting activity of Staphylococcus aureus strain 104 was purified 46,000-fold, but absolute purity was not achieved. Carbohydrate content of the purified material was not more than 5%. Elution...Full Text Available

1981-12-01

291

Partial Purification and Characterization of Aminopeptidase II from Chara australis  

UK PubMed Central (United Kingdom)

Aminopeptidase II, one of the two major aminopeptidases in the giant alga Chara australis, was partially purified. Its molecular weight was estimated to be about 80,000 by gel permeation...Full Text Available

1989-02-01

292

Pancreatic cancer: molecular pathogenesis and new therapeutic targets  

UK PubMed Central (United Kingdom)

Patients with pancreatic cancer normally present with advanced disease that is lethal and notoriously difficult to treat. Survival has not improved dramatically, despite routine use of chemotherapy...Full Text Available

2009-07-01

293

PYRROLO[1,2-b][1,2,5]BENZOTHIADIAZEPINES (PBTDs) induce apoptosis in K562 cells  

UK PubMed Central (United Kingdom)

BackgroundThe objective of this study was to gain insight into the molecular mechanism of induced cell death (apoptosis) by PYRROLO [1,2-b][1,2,5]BENZOTHIADIAZEPINES...Full Text Available

294

PASBio: predicate-argument structures for event extraction in molecular biology  

UK PubMed Central (United Kingdom)

BackgroundThe exploitation of information extraction (IE), a technology aiming to provide instances of structured representations from free-form text, has been rapidly growing within...Full Text Available

295

Origins, evolution, and phenotypic impact of new genes  

UK PubMed Central (United Kingdom)

Ever since the pre-molecular era, the birth of new genes with novel functions has been considered to be a major contributor to adaptive evolutionary innovation. Here, I review the origin and evolution...Full Text Available

2010-10-01

296

On the spontaneous stochastic dynamics of a single gene: complexity of the molecular interplay at the promoter  

UK PubMed Central (United Kingdom)

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

297

On the sensitivity of IMRT dose optimization to the mathematical form of a biological imaging-based prescription function  

UK PubMed Central (United Kingdom)

Voxel-based prescriptions of deliberately non-uniform dose distributions based on molecular imaging, so-called dose painting or theragnostic radiation therapy, require specification of a transformation...Full Text Available

2009-03-21

298

O2-dependent methionine auxotrophy in Cu,Zn superoxide dismutase-deficient mutants of Saccharomyces cerevisiae.  

UK PubMed Central (United Kingdom)

Mutant strains of the yeast Saccharomyces cerevisiae which lack functional Cu,Zn superoxide dismutase (SOD-1) do not grow aerobically unless supplemented with methionine. The molecular basis of this...Full Text Available

1990-04-01

299

Natural selection and the molecular basis of electrophoretic variation at the coagulation F13B locus  

UK PubMed Central (United Kingdom)

Electrophoretic analysis of protein variation at the coagulation F13B locus has previously revealed three alleles, with alleles 1, 2, and 3 each being at high frequency in European,...Full Text Available

2009-02-01

300

NSF/Tokyo Report: MITI's Polymer Project  

Science.gov (United States)

... Highly-Functional Materials" was launched in JFY1996 under the New Materials field. This project was ... Bio-mimetic materials" (1) Advanced stimuli responsive materials (2) Harmonized molecular materials ...

301

Mutations affecting the development of the peripheral nervous system in Drosophila: a molecular screen for novel proteins.  

UK PubMed Central (United Kingdom)

In our quest for novel genes required for the development of the embryonic peripheral nervous system (PNS), we have performed three genetic screens using MAb 22C10 as a marker of terminally differentiated...Full Text Available

2000-12-01

302

Molecular resemblance of an AIDS-associated lymphoma and endemic Burkitt lymphomas: Implications for their pathogenesis  

International Nuclear Information System (INIS)

Non-Hodgkin lymphoma is a common feature of AIDS. Approximately 30-40% of these tumors exhibit clinical features suggestive of endemic Burkitt lymphoma: they are aggressive malignancies that occur in association with Epstein-Barr virus infection, they arise in the setting of immunosuppression, and they carry t(8;14) translocations without detectable rearrangement of the MYC oncogene. To understand the molecular basis of these parallels, the authors analyzed a case of Epstein-Barr-positive AIDS-associated undifferentiated lymphoma. Southern blots show that the tumor exhibits immunoglobulin joining segment rearrangement but no rearrangement of the MYC oncogene. Cloning of the rearranged joining segment allowed the isolation of recombinant clones encompassing the translocation breakpoint, and sequencing of the translocation junction disclosed that the breakpoint is situated 7 base pairs from the chromosome 14 site involved in a previously described endemic Burkitt ...

303

Molecular mechanisms of genetic adaptation to xenobiotic compounds.  

UK PubMed Central (United Kingdom)

Microorganisms in the environment can often adapt to use xenobiotic chemicals as novel growth and energy substrates. Specialized enzyme systems and metabolic pathways for the degradation of man-made...Full Text Available

1992-12-01

304

Molecular epidemiology of trimethoprim resistance among coagulase-negative staphylococci.  

UK PubMed Central (United Kingdom)

A 42% (70 of 167 isolates) incidence of resistance to 20 micrograms of trimethoprim per ml was found among clinical isolates of coagulase-negative staphylococci from two hospitals. A specific trimethoprim...Full Text Available

1987-11-01

305

Molecular epidemiology of Mycobacterium bovis in Texas and Mexico.  

UK PubMed Central (United Kingdom)

Seventy-nine Mycobacterium bovis isolates recovered from Mexican and Texas cattle were categorized into 16 and 25 distinct types on the basis of IS6110 and direct-repeat fingerprint patterns, respectively....Full Text Available

1996-09-01

306

Molecular dynamics of a ?B DNA element: base flipping via cross-strand intercalative stacking in a microsecond-scale simulation  

UK PubMed Central (United Kingdom)

The sequence-dependent structural variability and conformational dynamics of DNA play pivotal roles in many biological milieus, such as in the site-specific binding of transcription factors to target...Full Text Available

2008-09-01

307

Molecular determinants archetypical to the phylum Nematoda  

UK PubMed Central (United Kingdom)

BackgroundNematoda diverged from other animals between 600–1,200 million years ago and has become one of the most diverse animal phyla on earth. Most nematodes are free-living...Full Text Available

308

Molecular conservation of estrogen-response associated with cell cycle regulation, hormonal carcinogenesis and cancer in zebrafish and human cancer cell lines  

UK PubMed Central (United Kingdom)

BackgroundThe zebrafish is recognized as a versatile cancer and drug screening model. However, it is not known whether the estrogen-responsive genes and signaling pathways that are...Full Text Available

309

Molecular conformation, receptor binding, and hormone action of natural and synthetic estrogens and antiestrogens.  

UK PubMed Central (United Kingdom)

The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available

1985-09-01

310

Molecular cloning and nucleotide sequence of the beta-lytic protease gene from Achromobacter lyticus.  

UK PubMed Central (United Kingdom)

Two bacteriolytic enzymes secreted by Achromobacter lyticus M497-1 were purified and identified as being very similar (considering their amino acid composition and N-terminal sequence) to alpha- and...Full Text Available

1990-11-01

311

Molecular cloning and functional expression of geranylgeranyl pyrophosphate synthase from Coleus forskohlii Briq  

UK PubMed Central (United Kingdom)

BackgroundIsopentenyl diphosphate (IPP), a common biosynthetic precursor to the labdane diterpene forskolin, has been biosynthesised via a non-mevalonate pathway. Geranylgeranyl...Full Text Available

312

Molecular characterization of hepatitis A virus isolates from environmental and clinical samples in Greece  

UK PubMed Central (United Kingdom)

BackgroundHepatitis A virus (HAV) strains detected in environmental and clinical samples were analysed to characterize the genotypes of HAV circulating in Greece. Fifty (50) sewage...Full Text Available

313

Molecular characterization of a unique retrovirus associated with a fish tumor.  

UK PubMed Central (United Kingdom)

The walleye dermal sarcoma is a mesenchymal tumor which seasonally affects up to 27% of adult walleye fish (Stizostedion vitreum). It arises multicentrically in the dermis, in which its development...Full Text Available

1992-01-01

314

Molecular characterization of a mannoprotein with homology to chitin deacetylases that stimulates T cell responses to Cryptococcus neoformans  

UK PubMed Central (United Kingdom)

The fungus Cryptococcus neoformans is a major cause of morbidity and mortality in patients with impaired CD4+ T cell function, particularly those with AIDS. To identify...Full Text Available

2001-08-28

315

Molecular characterization of a Chinese variant of the Flury-LEP strain  

UK PubMed Central (United Kingdom)

The entire genome of rabies virus vaccine strain Flury-LEP-C, a Chinese variant of the rabies virus vaccine strain Flury-LEP, was sequenced. The overall length of the genome of Flury-LEP-C strain was...Full Text Available

316

Molecular breeding of cereals for aluminium resistance  

Science.gov (United States)

Aluminium (Al3+) toxicity is the primary factor limiting crop production on acidic soils worldwide. In addition to an application of lime for soil amelioration, Al3+ resistant plant varieties have been deployed to raise productivity on such hostile soils. This has been possible due to the exploita...

317

Molecular basis of the inhibition of human aromatase (estrogen synthetase) by flavone and isoflavone phytoestrogens: A site-directed mutagenesis study.  

UK PubMed Central (United Kingdom)

Flavone and isoflavone phytoestrogens are plant chemicals and are known to be competitive inhibitors of cytochrome P450 aromatase with respect to the androgen substrate. Aromatase is the enzyme that...Full Text Available

1998-02-01

318

Molecular basis of FIR-mediated c-myc transcriptional control  

UK PubMed Central (United Kingdom)

The Far UpStream Element (FUSE) regulatory system promotes a peak in the concentration of c-Myc during cell cycle. First, the FBP transcriptional activator binds to the FUSE DNA element upstream...Full Text Available

2010-09-01

319

Molecular and immunological comparison of human dihydropteridine reductase in liver, cultured fibroblasts and continuous lymphoid cells.  

UK PubMed Central (United Kingdom)

An antiserum was raised in a rabbit against highly purified human liver dihydropteridine reductase (EC 1.6.99.7). Dihydropteridine reductase from human liver, in human cultured fibroblasts and in continuous...Full Text Available

1981-07-01

320

Molecular and immunological analysis of a polymorphic periplasmic protein of Borrelia burgdorferi.  

UK PubMed Central (United Kingdom)

Borrelia burgdorferi is the causative agent of Lyme disease, a tick-borne spirochetosis with a worldwide prevalence. To assist the categorization and typing of fresh isolates from global foci, we have...Full Text Available

1991-09-01

321

Molecular and clinico-pathological markers in rectal cancer: a tissue micro-array study  

UK PubMed Central (United Kingdom)

AimsThe aims of the study were to study the effect of pre-operative treatment on the expression of tumour-related proteins and to correlate the expression of these...Full Text Available

2009-02-01

322

Molecular and Kinetic Comparison of the Novel Extended-Spectrum ?-Lactamases CTX-M-25 and CTX-M-26  

UK PubMed Central (United Kingdom)

CTX-M-25 is a novel extended-spectrum β-lactamase isolated from a single Canadian Escherichia coli isolate. Susceptibility testing demonstrated that this enzyme confers resistance...Full Text Available

2004-12-01

323

Molecular Variability of Pseudallescheria boydii, a Neurotropic Opportunist  

UK PubMed Central (United Kingdom)

The sequences of the internal transcribed spacer (ITS) ribosomal DNA (rDNA) domain data obtained by restriction fragment length polymorphism analysis with 18S rDNA and fingerprinting (M13) for clinical...Full Text Available

2000-09-01

324

Molecular Mechanistic Insights into the Endothelial Receptor Mediated Cytoadherence of Plasmodium falciparum-Infected Erythrocytes  

UK PubMed Central (United Kingdom)

Cytoadherence or sequestration is essential for the pathogenesis of the most virulent human malaria species, Plasmodium falciparum (P. falciparum). Similar to leukocyte-endothelium...Full Text Available

325

Molecular Mapping of Movement-Associated Areas in the Avian Brain: A Motor Theory for Vocal Learning Origin  

UK PubMed Central (United Kingdom)

Vocal learning is a critical behavioral substrate for spoken human language. It is a rare trait found in three distantly related groups of birds-songbirds, hummingbirds, and parrots. These avian groups...Full Text Available

326

Molecular Identification and Expression Analysis of Filaggrin-2, a Member of the S100 Fused-Type Protein Family  

UK PubMed Central (United Kingdom)

Genes of the S100 fused-type protein (SFTP) family are clustered within the epidermal differentiation complex and encode essential components that maintain epithelial homeostasis and barrier functions....Full Text Available

327

Molecular Evidence of Bartonella Infection in Domestic Dogs from Algeria, North Africa, by Polymerase Chain Reaction (PCR)  

UK PubMed Central (United Kingdom)

Bartonella species are being recognized as important bacterial human and canine pathogens, and are associated with multiple arthropod vectors. Bartonella DNA extracted...Full Text Available

2010-08-05

328

Molecular Epidemiology of Methicillin-Resistant and Methicillin-Susceptible Staphylococcus aureus Isolated from the Eye  

UK PubMed Central (United Kingdom)

Purpose:Methicillin-resistant Staphylococcus aureus (MRSA) strains are commonly classified as hospital-acquired (HA) or community-acquired (CA). Typical HA-MRSA...Full Text Available

2011-02-01

329

Molecular Epidemiology of Escherichia coli Producing Extended-Spectrum ?-Lactamases Isolated in Rome, Italy?  

UK PubMed Central (United Kingdom)

Escherichia coli strains producing extended-spectrum β-lactamases (ESBLs) are a major problem in many different hospitals worldwide, causing outbreaks as well as sporadic infections....Full Text Available

2008-01-01

330

Molecular Ecology of Pyrethroid Knockdown Resistance in Culex pipiens pallens Mosquitoes  

UK PubMed Central (United Kingdom)

Pyrethroid insecticides have been extensively used in China and worldwide for public health pest control. Accurate resistance monitoring is essential to guide the rational use of insecticides and resistance...Full Text Available

332

Molecular Characterization of Exploitation of the Polyubiquitination and Farnesylation Machineries of Dictyostelium Discoideum by the AnkB F-Box Effector of Legionella Pneumophila  

UK PubMed Central (United Kingdom)

The Dot/Icm-translocated Ankyrin B (AnkB) F-box effector of Legionella pneumophila is essential for intra-vacuolar proliferation and functions as a platform for the docking of polyubiquitinated...Full Text Available

333

Molecular Characterization of Aluminium (aluminum) Tolerance in Rye  

Science.gov (United States)

Aluminium (Al) toxicity, affecting around half of the world¿s arable land, severely hinders the ability of crop plants to utilize moisture and nutrients by restricting root growth and function. Among the cultivated cereals, rye is the most Al-tolerant and represents an important potential source of ...

334

Molecular Architecture of the Centriole Proteome: The Conserved WD40 Domain Protein POC1 Is Required for Centriole Duplication and Length Control  

UK PubMed Central (United Kingdom)

Centrioles are intriguing cylindrical organelles composed of triplet microtubules. Proteomic data suggest that a large number of proteins besides tubulin are necessary for the formation and maintenance...Full Text Available

2009-02-15

335

Molecular Analysis of a Novel Methanesulfonic Acid Monooxygenase from the Methylotroph Methylosulfonomonas methylovora  

UK PubMed Central (United Kingdom)

Methylosulfonomonas methylovora M2 is an unusual gram-negative methylotrophic bacterium that can grow on methanesulfonic acid (MSA) as the sole source of carbon and energy. Oxidation...Full Text Available

1999-04-01

336

Molecular Analyses of Salmonellaenterica Isolates from Fish Feed Factories and Fish Feed Ingredients  

UK PubMed Central (United Kingdom)

Isolates of the most commonly observed salmonella serovars in Norwegian fish feed factories from 1998 to 2000 (Salmonella enterica serovar Agona, S. enterica...Full Text Available

2003-02-01

337

Methylprednisolone acetate induced release of cartilage proteoglycans: determination by high performance liquid chromatography.  

UK PubMed Central (United Kingdom)

A high performance liquid chromatography (HPLC) procedure suitable for the simultaneous determination of the molecular size and concentration of macromolecular hyaluronate and proteoglycans in synovial...Full Text Available

1992-02-01

338

Methanogen Diversity Evidenced by Molecular Characterization of Methyl Coenzyme M Reductase A (mcrA) Genes in Hydrothermal Sediments of the Guaymas Basin  

UK PubMed Central (United Kingdom)

The methanogenic community in hydrothermally active sediments of Guaymas Basin (Gulf of California, Mexico) was analyzed by PCR amplification, cloning, and sequencing of methyl coenzyme M reductase...Full Text Available

2005-08-01

339

Metal Ions-Stimulated Iron Oxidation in Hydroxylases Facilitates Stabilization of HIF-1? Protein  

UK PubMed Central (United Kingdom)

The exposure of cells to several metal ions stabilizes HIF-1α protein. However, the molecular mechanisms are not completely understood. They may involve inhibition of hydroxylation by either...Full Text Available

2009-02-01

340

Mapping the cellular and molecular heterogeneity of normal and malignant breast tissues and cultured cell lines  

UK PubMed Central (United Kingdom)

IntroductionNormal and neoplastic breast tissues are comprised of heterogeneous populations of epithelial cells exhibiting various degrees of maturation and differentiation. While...Full Text Available

2010-01-01

341

Mapping Drug Physico-Chemical Features to Pathway Activity Reveals Molecular Networks Linked to Toxicity Outcome  

UK PubMed Central (United Kingdom)

The identification of predictive biomarkers is at the core of modern toxicology. So far, a number of approaches have been proposed. These rely on statistical inference of toxicity response from either...Full Text Available

342

Lymphoma depletion during CD20 immunotherapy in mice is mediated by macrophage Fc?RI, Fc?RIII, and Fc?RIV  

UK PubMed Central (United Kingdom)

Despite the demonstrated clinical efficacy of CD20 monoclonal antibody (mAb) for lymphoma therapy, the in vivo mechanisms of tumor depletion remain controversial and variable. To identify the molecular...Full Text Available

2008-08-15

343

Location of an epitopic site on epiglycanin by molecular immunoelectron microscopy.  

UK PubMed Central (United Kingdom)

Antibodies of the IgM type present in rabbit anti-epiglycanin antiserum were purified by (NH4)2SO4 precipitation and by ion-exchange, affinity and gel-filtration chromatography. After papain treatment...Full Text Available

1985-04-01

344

Is X(1812) a $(K^*\\bar K^*)$ Molecular State?  

CERN Document Server

We investigate the possibility of producing the $\\omega\\phi$ threshold enhancement recently observed in the $J\\psi\\to\\gamma X(1812),~X(1812)\\to\\omega\\phi$ at BES by assuming the X(1812) to be a candidate of $(K^{*}\\bar K^{*0})$ molecular state. We evaluate the decay rate of $X(1812)\\to\\eta\\eta', \\eta\\eta, \\omega\\phi, K^+K^-, \\rho^+\\rho^-$, $\\omega\\omega, K^{*+}K^{*-}$ and $\\pi^+\\pi^-$ based on the X(1812) to be a candidate of $(\\ksks)$ molecule. It turns out the X(1812) dominantly decays into $\\eta\\eta'$ and $\\eta\\eta$. These channels are suggested to be the laboratory to test the molecular scenario in experiment. We also evaluate the branching fraction $Br(X\\to\\omega\\phi)\\simeq 4.60%$. However, the X(1812) has small branching fractions to decay into other $VV$ or $PP$ final states, from which it seems to be consistent with the experimental observation. In the molecular scenario, the X(1812) ...

2007-01-01

345

Involvement of a low-molecular-weight substance in in vitro activation of the molybdoenzyme respiratory nitrate reductase from a chlB mutant of Escherichia coli.  

UK PubMed Central (United Kingdom)

The soluble subcellular fraction of a chlB mutant contains an inactive precursor form of the molybdoenzyme nitrate reductase, which can be activated by the addition to the soluble fraction of protein...Full Text Available

1987-10-01

346

Investigations into the nature of a silicoaluminophosphate with the faujasite structure  

Energy Technology Data Exchange (ETDEWEB)

The physicochemical nature of a silicoaluminophosphate with the faujasite structure has been studied. The molecular sieve framework contains a homogeneous distribution of silicon, aluminum, and phosphorus and is negatively charged. Combustion in air of the charge-compensating organic cations produces hydroxyl groups which exhibit Broensted acidity.

1987-04-29

347

IntelliGO: a new vector-based semantic similarity measure including annotation origin  

UK PubMed Central (United Kingdom)

BackgroundThe Gene Ontology (GO) is a well known controlled vocabulary describing the biological process, molecular function and cellular...Full Text Available

348

Increases in mouse uterine heat shock protein levels are a sensitive and specific response to uterotrophic agents.  

UK PubMed Central (United Kingdom)

There is increasing consensus that the uterotrophic estrogenicity assay should be coupled with other morphometric or molecular end points that might enhance its sensitivity. We have previously shown...Full Text Available

2002-12-01

349

Increased SRF transcriptional activity in human and mouse skeletal muscle is a signature of insulin resistance  

UK PubMed Central (United Kingdom)

Insulin resistance in skeletal muscle is a key phenotype associated with type 2 diabetes (T2D) for which the molecular mediators remain unclear. We therefore conducted an expression analysis of human...Full Text Available

2011-03-01

350

Identification of a Novel Inhibitor of Coactivator-associated Arginine Methyltransferase 1 (CARM1)-mediated Methylation of Histone H3 Arg-17*  

UK PubMed Central (United Kingdom)

Methylation of the arginine residues of histones by methyltransferases has important consequences for chromatin structure and gene regulation; however, the molecular mechanism(s) of methyltransferase...Full Text Available

2010-03-05

351

Identification of Potential Calorie Restriction-Mimicking Yeast Mutants with Increased Mitochondrial Respiratory Chain and Nitric Oxide Levels  

UK PubMed Central (United Kingdom)

Calorie restriction (CR) induces a metabolic shift towards mitochondrial respiration; however, molecular mechanisms underlying CR remain unclear. Recent studies suggest that CR-induced mitochondrial...Full Text Available

352

Identification and mobilization by cointegrate formation of a nodulation plasmid in Rhizobium trifolii.  

UK PubMed Central (United Kingdom)

A nodulation plasmid, pRtr-514a, of molecular size 180 megadaltons (Mdal) was identified in Rhizobium trifolii strain NZP514. This plasmid was absent in both spontaneous and heat-cured Nod- derivatives...Full Text Available

1982-07-01

353

Human mitochondrial transcription factor A reduction and mitochondrial dysfunction in Hashimoto's hypothyroid myopathy.  

UK PubMed Central (United Kingdom)

BACKGROUND: Mitochondrial changes have been described in muscle tissue in acquired hypothyroidism. Among the molecular mechanisms by which thyroid hormones regulate expression of nuclear genes encoding...Full Text Available

2002-06-01

354

Hsp12.6 Expression Is Inducible by Host Immunity in Adult Worms of the Parasitic Nematode Nippostrongylus brasiliensis  

UK PubMed Central (United Kingdom)

Heat shock proteins (Hsp) are a family of stress-inducible molecular chaperones that play multiple roles in a wide variety of animals. However, the roles of Hsps in parasitic nematodes remain largely...Full Text Available

355

High-resolution infrared observations in IC 5146  

Energy Technology Data Exchange (ETDEWEB)

High-resolution near-infrared and far-infrared observations are presented of the southeastern molecular cloud fragment in the IC 5146 dark cloud. These observations rule out earlier suggestions for the formation of massive stars in this fragment.

1984-04-01

356

High Glucose-Mediated Oxidative Stress Impairs Cell Migration  

UK PubMed Central (United Kingdom)

Deficient wound healing in diabetic patients is very frequent, but the cellular and molecular causes are poorly defined. In this study, we evaluate the hypothesis that high glucose concentrations inhibit...Full Text Available

357

Genome-wide characterization of simple sequence repeats in cucumber (Cucumis sativus L.)  

UK PubMed Central (United Kingdom)

BackgroundCucumber, Cucumis sativus L. is an important vegetable crop worldwide. Until very recently, cucumber genetic and genomic resources, especially molecular...Full Text Available

358

Genetics and molecular pathology of Stargardt-like macular degeneration  

UK PubMed Central (United Kingdom)

Stargardt-like macular degeneration (STGD3) is an early onset, autosomal dominant macular degeneration. STGD3 is characterized by a progressive pathology, the loss of central vision, atrophy...Full Text Available

2010-05-01

359

Gadolinium-containing phosphatidylserine liposomes for molecular imaging of atherosclerosis  

UK PubMed Central (United Kingdom)

Exteriorized phosphatidylserine (PS) residues in apoptotic cells trigger rapid phagocytosis by macrophage scavenger receptor pathways. Mimicking apoptosis with liposomes containing PS may represent...Full Text Available

2009-11-01

360

Fluorine-19 NMR Chemical Shift Probes Molecular Binding to Lipid Membranes  

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

2008-05-22

361

Evolution of feeding specialization in Tanganyikan scale-eating cichlids: a molecular phylogenetic approach  

UK PubMed Central (United Kingdom)

BackgroundCichlid fishes in Lake Tanganyika exhibit remarkable diversity in their feeding habits. Among them, seven species in the genus Perissodus are known for...Full Text Available

362

Enzymatic control of anhydrobiosis-related accumulation of trehalose in the sleeping chironomid, Polypedilum vanderplanki  

UK PubMed Central (United Kingdom)

Larvae of an anhydrobiotic insect, Polypedilum vanderplanki, accumulate very large amounts of trehalose as a compatible solute on desiccation, but the molecular mechanisms underlying...Full Text Available

2010-10-01

363

Engineering ligand-responsive RNA controllers in yeast through the assembly of RNase III tuning modules  

UK PubMed Central (United Kingdom)

The programming of cellular networks to achieve new biological functions depends on the development of genetic tools that link the presence of a molecular signal to gene-regulatory activity. Recently,...Full Text Available

2011-07-01

364

Efficacy and Safety of Low-Molecular-Weight Heparins As An Adjunct to Thrombolysis in Acute ST-Elevation Myocardial Infarction  

UK PubMed Central (United Kingdom)

A 48-hour course of intravenous unfractionated heparin (UFH) is the standard of treatment in conjunction with fibrin-specific thrombolysis in ST-elevation myocardial infarction (STEMI). In recent trials,...Full Text Available

2008-02-01

365

Dual-channel imaging system for singlet oxygen and photosensitizer for PDT  

UK PubMed Central (United Kingdom)

A two-channel optical system has been developed to provide spatially resolved simultaneous imaging of singlet molecular oxygen (1O2) phosphorescence and photosensitizer (PS) fluorescence...Full Text Available

366

Does Damage to DNA and Other Macromolecules Play a Role in Aging? If So, How?  

UK PubMed Central (United Kingdom)

One of the most pervasive ideas regarding the causes of aging is that longevity is constrained in large measure by damage to macromolecules. An increasing body of cellular and molecular data, generated...Full Text Available

2009-02-01

367

Dissecting the Genetic Components of Adaptation of Escherichia coli to the Mouse Gut  

UK PubMed Central (United Kingdom)

While pleiotropic adaptive mutations are thought to be central for evolution, little is known on the downstream molecular effects allowing adaptation to complex ecologically relevant environments. Here...Full Text Available

2008-01-01

368

Discrete molecular states in the brain accompany changing responses to a vocal signal  

UK PubMed Central (United Kingdom)

New experiences can trigger changes in gene expression in the brain. To understand this phenomenon better, we studied zebra finches hearing playbacks of birdsong. Earlier research had shown that initial...Full Text Available

2009-07-07

369

Development of an extrachromosomal cloning vector system for use in Borrelia burgdorferi  

UK PubMed Central (United Kingdom)

Molecular genetic analysis of Borrelia burgdorferi, the cause of Lyme disease, has been hampered by the absence of any means of efficient generation, identification, and complementation...Full Text Available

2000-04-25

370

Detection of Unculturable Bacteria in Periodontal Health and Disease by PCR  

UK PubMed Central (United Kingdom)

Recently developed molecular methods have made it possible to characterize mixed microflora in their entirety, including the substantial numbers of bacteria which do not grow on artificial culture media....Full Text Available

1999-05-01

371

Destructive effects of smoking on molecular and genetic factors of periodontal disease  

UK PubMed Central (United Kingdom)

Many epidemiological evidences have proven the association between smoking and periodontal disease. The causality can be further established by linking findings of traditional epidemiological studies...Full Text Available

372

Cyclodextrin Inclusion Complexes with Bimanes and Other ...  

Science.gov (United States)

... HE*MS-1 and HE*MS-1.6: Hydroxyethyl Betacyclodextrin with averaae molecular substitution of 1 and 1.6 respectively HPeMS=0.6 and HP*MS-0.9 ...

1991-07-09

373

Conservation of spermatogonial stem cell self-renewal signaling between mouse and rat  

UK PubMed Central (United Kingdom)

Self-renewal of spermatogonial stem cells (SSCs) is the foundation for maintenance of spermatogenesis throughout life in males and for continuation of a species. The molecular mechanism underlying stem...Full Text Available

2005-10-04

374

Computer simulation of protein self-association during small-zone gel filtration. Estimation of equilibrium constants.  

UK PubMed Central (United Kingdom)

A simulation is developed that qualitatively describes the small-zone-gel-filtration behaviour of a reversibly associating protein. The results reflect the dependence of the apparent molecular weight...Full Text Available

1981-04-01

375

Comprehensive molecular cytogenetic analysis of sorghum genome architecture: distribution of euchromatin, ...  

Science.gov (United States)

Cyteogenetic maps of sorghum chromosomes 3-7, 9, and 10 were constructed on the basis of the fluorescence in situ hybridization (FISH) of ~ ... regions of heterchromatin were delimited for all 10 sorghum chrom...

376

Comprehensive SNP-chip for retinitis pigmentosa-Leber congenital amaurosis diagnosis: new mutations and detection of mutational founder effects  

UK PubMed Central (United Kingdom)

Fast and efficient high-throughput techniques are essential for the molecular diagnosis of highly heterogeneous hereditary diseases, such as retinitis pigmentosa (RP). We had previously approached RP...Full Text Available

2010-01-01

377

Complete chloroplast genome of Oncidium Gower Ramsey and evaluation of molecular markers for identification and breeding in Oncidiinae  

UK PubMed Central (United Kingdom)

BackgroundOncidium spp. produce commercially important orchid cut flowers. However, they are amenable to intergeneric and inter-specific crossing making phylogenetic...Full Text Available

378

Comparative transcripts profiling reveals new insight into molecular processes regulating lycopene accumulation in a sweet orange (Citrus sinensis) red-flesh mutant  

UK PubMed Central (United Kingdom)

BackgroundInterest in lycopene metabolism and regulation is growing rapidly because accumulative studies have suggested an important role for lycopene in human health promotion....Full Text Available

379

Comparative nucleic acid transfection efficacy in primary hepatocytes for gene silencing and functional studies  

UK PubMed Central (United Kingdom)

BackgroundPrimary hepatocytes are the best resource for in vitro studies directed at understanding hepatic processes at the cellular and molecular levels, necessary...Full Text Available

380

Common variation in the ABO glycosyltransferase is associated with susceptibility to severe Plasmodium falciparum malaria  

UK PubMed Central (United Kingdom)

There is growing epidemiological and molecular evidence that ABO blood group affects host susceptibility to severe Plasmodium falciparum infection. The high frequency of common...Full Text Available

2008-02-15

381

Common mitochondrial polymorphisms as risk factor for endometrial cancer  

UK PubMed Central (United Kingdom)

Endometrial carcinoma is the most commonly diagnosed gynaecological cancer in developed countries. Although the molecular genetics of this disease has been in the focus of many research laboratories...Full Text Available

382

Chromosome location of Oryza sativa recombination linkage groups.  

UK PubMed Central (United Kingdom)

In situ hybridization, a powerful tool for the molecular cytogeneticist, can be used to physically map repetitive, low-copy, and unique DNA sequences in plant chromosomes. With the availability of a...Full Text Available

1992-09-15

383

Characterization of the Molecular Mechanism of Defective Interfering RNA-Mediated Symptom Attenuation in Tombusvirus-Infected Plants  

UK PubMed Central (United Kingdom)

Different tombusviruses were able to support the replication of either homologous or heterologous defective interfering (DI) RNAs, and those infected plants usually developed typical attenuated symptoms....Full Text Available

1998-07-01

384

Characterization of Two New Genes, amoR and amoD, in the amo Operon of the Marine Ammonia Oxidizer Nitrosococcus oceani ATCC 19707?  

UK PubMed Central (United Kingdom)

Molecular analysis of the amo gene cluster in Nitrosococcus oceani revealed that it consists of five genes, instead of the three known genes, amoCAB....Full Text Available

2008-01-01

385

Characterization of T-Even Bacteriophage Substructures  

UK PubMed Central (United Kingdom)

Tail plates obtained from T4D amber mutants were examined with respect to sedimentation behavior, subunit molecular weights, amino acid composition, isoelectric points, and morphology. Intact plates...Full Text Available

1970-10-01

386

Cellulase-Xylanase Synergy in Designer Cellulosomes for Enhanced Degradation of a Complex Cellulosic Substrate  

UK PubMed Central (United Kingdom)

Designer cellulosomes are precision-engineered multienzyme complexes in which the molecular architecture and enzyme content are exquisitely controlled. This system was used to examine enzyme cooperation...Full Text Available

387

Cd36, a class B scavenger receptor, functions as a monomer to bind acetylated and oxidized low-density lipoproteins  

UK PubMed Central (United Kingdom)

Cd36 is a small-molecular-weight integral membrane protein expressed in a diverse, but select, range of cell types. It has an equally diverse range of ligands and physiological functions, which has...Full Text Available

2007-11-01

388

Can circular dichroism in core-level photoemission provide a spectral fingerprint of adsorbed chiral molecules?  

International Nuclear Information System (INIS)

The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While similar measurements ...

2005-04-01

389

Calorimetric studies of the kinetic unfreezing of molecular motions in hydrated lysozyme, hemoglobin, and myoglobin.  

UK PubMed Central (United Kingdom)

Differential scanning calorimetric (DSC) studies of the glassy states of as-received and hydrated lysozyme, hemoglobin, and myoglobin powders, with water contents of < or = 0.25, < or...Full Text Available

1994-01-01

390

CTX-M-Type Extended-Spectrum ?-Lactamases in Italy: Molecular Epidemiology of an Emerging Countrywide Problem  

UK PubMed Central (United Kingdom)

A nationwide survey of extended-spectrum β-lactamase (ESBL) production among Enterobacteriaceae, carried out in 2003, showed that CTX-M-type enzymes have achieved a sizeable...Full Text Available

2006-08-01

391

Boundary conditions for the paleoenvironment: chemical and physical processes in the pre-solar nebula  

Energy Technology Data Exchange (ETDEWEB)

Two additional hyperfine components of the interstellar radical C3H were detected. In addition, methanol was discovered in interstellar clouds. The abundance of HCCN and various chemical isomers in molecular clouds was investigated.

1985-02-01

392

Boule and the Evolutionary Origin of Metazoan Gametogenesis: A Grandpa's Tale  

UK PubMed Central (United Kingdom)

The evolution of sex remains a hotly debated topic in evolutionary biology. In particular, studying the origins of the molecular mechanisms underlying sexual reproduction and gametogenesis (its fundamental...Full Text Available

393

Biochemical characterization of the molecular interaction between recombinant basic fibroblast growth factor and a recombinant soluble fibroblast growth factor receptor.  

UK PubMed Central (United Kingdom)

The extracellular domain of human fibroblast growth factor receptor (XC-FGF-R) was expressed in Escherichia coli. The protein was purified to homogeneity and the interaction with basic fibroblast growth...Full Text Available

1993-09-15

394

Behavioral Defects in Chaperone-Deficient Alzheimer's Disease Model Mice  

UK PubMed Central (United Kingdom)

Molecular chaperones protect cells from the deleterious effects of protein misfolding and aggregation. Neurotoxicity of amyloid-beta (Aβ) aggregates and their deposition in senile plaques are...Full Text Available

395

Avian Nephritis Virus (ANV) as a New Member of the Family Astroviridae and Construction of Infectious ANV cDNA  

UK PubMed Central (United Kingdom)

The complete RNA genome of the avian nephritis virus (ANV) associated with acute nephritis in chickens has been molecularly cloned and sequenced. Excluding the poly(A) tail, the genome comprises 6,927...Full Text Available

2000-09-01

396

Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock  

UK PubMed Central (United Kingdom)

BackgroundMolecular docking methods are commonly used for predicting binding modes and energies of ligands to proteins. For accurate complex geometry and binding energy estimation,...Full Text Available

397

Androgens and spermatogenesis: lessons from transgenic mouse models  

UK PubMed Central (United Kingdom)

Transgenic mouse models have contributed considerably to our understanding of the cellular and molecular mechanisms by which androgens control spermatogenesis. Cell-selective ablation of the androgen...Full Text Available

2010-05-27

398

Acute Ozone-Induced Differential Gene Expression Profiles in Rat Lung  

UK PubMed Central (United Kingdom)

Ozone (O3) is an oxidant gas that can directly induce lung injury. Knowledge of the initial molecular events of the acute O3 response would be useful in developing biomarkers of...Full Text Available

2005-12-01

399

A study in molecular contingency: glutamine phosphoribosylpyrophosphate amidotransferase is a promiscuous and evolvable phosphoribosylanthranilate isomerase  

UK PubMed Central (United Kingdom)

SummaryThe prevalence of paralogous enzymes implies that novel catalytic functions can evolve on preexisting protein scaffolds. The weak secondary activities of proteins, which...Full Text Available

2008-03-21

400

A rationale for stabilization of oxygen-labile enzymes: application to a clostridial hydrogenase.  

UK PubMed Central (United Kingdom)

A general procedure for stabilization of O2-labile enzymes exploiting "salting out" of oxygen from the microenvironment in the molecular layers immediately adjacent to charged surfaces of polyionic...Full Text Available

1978-08-01

401

A molecular epidemiological study of rabies epizootics in kudu (Tragelaphus strepsiceros) in Namibia  

UK PubMed Central (United Kingdom)

BackgroundA panel of 37 rabies virus isolates were collected and studied, originating mainly from the northern and central regions of Namibia, between 1980 and 2003.ResultsThese...Full Text Available

402

A homozygous P86S mutation of the human glucagon receptor is associated with hyperglucagonemia, ? cell hyperplasia, and islet cell tumor  

UK PubMed Central (United Kingdom)

ObjectiveThe goal of the study was to investigate the genetic and molecular basis of a novel syndrome of marked hyperglucagonemia and pancreatic α cell hyperplasia...Full Text Available

2009-11-01

403

A Novel Nuclear-Localized CCCH-Type Zinc Finger Protein, OsDOS, Is Involved in Delaying Leaf Senescence in Rice1[W  

UK PubMed Central (United Kingdom)

Leaf senescence is a developmentally programmed degeneration process, which is fine tuned by a complex regulatory network for plant fitness. However, molecular regulation of leaf senescence is poorly...Full Text Available

2006-08-01

404

A Novel Information Retrieval Model for High-Throughput Molecular Medicine Modalities  

UK PubMed Central (United Kingdom)

Significant research has been devoted to predicting diagnosis, prognosis, and response to treatment using high-throughput assays. Rapid translation into clinical results hinges upon efficient access...Full Text Available

405

A NEW APPROACH TO UNDERSTANDING THE MOLECULAR MECHANISMS THROUGH WHICH ESTROGENS AFFECT COGNITION  

UK PubMed Central (United Kingdom)

Traditional approaches to the study of hormones and cognition have been primarily observational or correlational in nature. Because this work does not permit causal relationships to be identified,...Full Text Available

2010-10-01

406

A Master Conductor for Aggregate Clearance by Autophagy  

UK PubMed Central (United Kingdom)

Autophagic adapters including p62/SQSTM1 recognize polyubiquitinated autophagic targets such as toxic protein aggregates. Recently reporting in Molecular Cell, Filimonenko et al. provide evidence...Full Text Available

2010-05-18

407

A Decline in p38 MAPK Signaling Underlies Immunosenescence in Caenorhabditis elegans  

UK PubMed Central (United Kingdom)

The decline in immune function with aging, known as immunosenescence, has been implicated in evolutionarily diverse species, but the underlying molecular mechanisms are not understood. During aging...Full Text Available

2011-05-01

408

A Comprehensive Analysis of the Dynamic Biological Networks in HCV Induced Hepatocarcinogenesis  

UK PubMed Central (United Kingdom)

Hepatocellular carcinoma (HCC) is a primary malignancy of the liver, which is closely related to hepatitis C and cirrhosis. The molecular mechanisms underlying the hepatocarcinogenesis induced by HCV...Full Text Available

409

1980-1990 - NASA Technical Report Server (NTRS)  

Science.gov (United States)

of the soleus in 6-mercaptopurine-treated rats. Experimental and Molecular Pathology. 43: 74-81, 1985. (GWU 5998). Jaweed, M.M.; Bozentka, D.; Hume, E.L.; ...

410

Towards an understanding of the light scalar mesons  

Energy Technology Data Exchange (ETDEWEB)

Although studied for many years the nature of the light scalar mesons remains controversial. Here we shall present a method, applicable for s-wave states located close to a threshold, that allows one to quantify the molecular part of a given state. When applied to the f{sub 0}(980) a dominance of the molecular component is found. In the second part, we show that requirements of field-theoretic consistency and chiral symmetry, when applied to the scattering of light pseudo-scalars, naturally lead to the appearance of dynamical poles in the scalar sector. A program is proposed on how to further investigate experimentally the mixing between these dynamical states and possible genuine quark states. (orig.)

2007-03-15

411

Review of the application of molecular beam epitaxy for high efficiency solar cell research  

Energy Technology Data Exchange (ETDEWEB)

In the last two years, rapid progress has been made in the energy conversion efficiencies of GaAs solar cells fabricated from molecular beam epitaxy (MBE) material. The efficiencies of cells fabricated from MBE material are now comparable with those fabricated from metal-organic chemical vapor deposition material, even for cells of dimension 2 cmx4 cm. This paper reviews the progress in MBE cell efficiencies. Also discussed is the role oval defects play in GaAs diode and solar cell performance. (orig.).

1991-05-01

412

Review of recent proteomic applications in aquatic toxicology  

British Library Electronic Table of Contents (United Kingdom)

Abstract Over the last decade, the environmental sciences have witnessed an incredible movement towards the utilization of high-throughput molecular tools that are capable of detecting simultaneous changes of hundreds, and even thousands, of molecules and molecular components after exposure of organisms to different environmental stressors. These techniques have received a great deal of attention because they not only offer the potential to unravel novel mechanisms of physiological and toxic action but are also amenable to the discovery of biomarkers of exposure and effects. In this article, we review the state of knowledge of one of these tools in ecotoxicological research: proteomics. We summarize the state of proteomics research in fish, and follow with studies conducted with aquatic in...

2011-01-01

413

Recycling of PTFE by means of ionizing rays  

International Nuclear Information System (INIS)

By treatment with beta or gamma rays, PTFE waste is converted to high-grade PTFE fine powder. High-molecular weight PTFE is degraded to low-molecular weight PTFE. Due to this the density, the degree of crystallinity, and the melt flow index are increased, which enhances the brittleness of the material. Irradiation of PTFE thus facilitates milling and makes the material pourable and free-flowing. Milled PTFE fine powder, lie PTFE plastic, combines temperature resistance, weather fastness, and chemical stability with good slip behaviour and antiadhesive properties. Areas of application for fine powder include additives for plastics, printing inks, nonstick coatings, and antifriction lacquers. (orig.).

1994-01-01

414

Production of Group IIA atomic and molecular negative ion beams in a cesium-sputter negative ion source  

Energy Technology Data Exchange (ETDEWEB)

The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr{sup -}and 20 nA for SrO{sup -}. (orig.).

1996-09-11

415

Production of Group IIA atomic and molecular negative ion beams in a cesium-sputter negative ion source  

International Nuclear Information System (INIS)

The results of an investigation on the production of Group IIA atomic and molecular negative ion beams formed in a cesium-sputter negative ion source are presented. The sputtering material was formed by pressing pellets of stoichiometric mixtures of the Group IIA element carbonates and 10% copper powder. Negative ions of several alkaline-earth elements and their oxides have been observed. Beam intensities as high as 180 pA have been observed for Sr"-and 20 nA for SrO"-. (orig.).

1996-09-01

416

Molecular models in the quantum-chemical investigation of the structure of defect centers on oxide catalysts  

Energy Technology Data Exchange (ETDEWEB)

Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.

1987-05-01

417

Molecular dynamics study of reaction kinetics in viscous media  

British Library Electronic Table of Contents (United Kingdom)

Predicted by stochastic models and observed experimentally in a number of isomerization reactions, viscosity-induced solvent effects manifest themselves in a significant departure of the reaction rates from the values expected on the basis of transition state theory. These effects are well understood within the framework of stochastic models; however, the predictive power of such models is limited by the fact that their parameters are not readily available. Experiment and molecular dynamics (MD) simulations can provide such information and can serve as the testing grounds for various stochastic models. In real solvents, a change in viscosity is inevitably associated with variation of at least one of the three factors - temperature, pressure, or solvent identity, resulting in different solv...

2011-01-01

418

Molecular accessibility in solvent swelled coal. Quarterly report  

Energy Technology Data Exchange (ETDEWEB)

To expand the information base on molecular accessibility in solvent swelled coal, Argonne Premium Coal Samples (APCS) were swelled in polar, basic solvents before and after moisture loss and upon air oxidation. So far studies have been reported on the changes in pore size distribution as a function of temperature when polar basic swelling solvents are used. Additional studies employing EPR spin probe techniques performed on the breaking up of the hydrogen bonding between bedding planes were later confirmed by magnetic resonance imaging at Argonne National Lab and the University of Illinois.

1992-11-01

419

Inorganic molecular sieves: Preparation, modification and industrial application in catalytic processes  

British Library Electronic Table of Contents (United Kingdom)

The increasing environmental concern and promotion of ''green processes'' are forcing the substitution of traditional acid and base homogeneous catalysts by solid ones. Among these heterogeneous catalysts, zeolites and zeotypes can be considered as real ''green'' catalysts, due to their benign nature from an environmental point of view. The importance of these inorganic molecular sieves within the field of heterogeneous catalysis relies not only on their microporous structure and the related shape selectivity, but also on the flexibility of their chemical composition. Modification of the zeolite framework composition results in materials with acidic, basic or redox properties, whereas multifunctional catalysts can be obtained by introducing metals by ion exchange or impregnation procedures...

2011-01-01

420

Influence of wood extractives in the polymerization of methyl methacrylate by gamma irradiation  

International Nuclear Information System (INIS)

Those materials that can be extracted from pine or oak by ether, ethanol, methyl methacrylate (MMA), or benzene--alcohol all act as inhibitors in the #gamma# polymerization of MMA--wood composites. It was found that preirradiation of either the wood or of the wood--monomer combination reduces or eliminates the inhibitory effect. The most practical industrial solution to this problem is to increase the dose, thereby achieving high molecular polymer in the composite. However, the presence of a maximum in the molecular weight--dose curves means that each wood--monomer pair may have a different optimum dose.

1975-01-01

421

High-optical-quality GaInP and GaInP/AlInP double heterostructure lasers grown on GaAs substrates by gas-source molecular-beam epitaxy  

Science.gov (United States)

By gas-source molecular-beam epitaxy, we obtained a device-quality GaInP epitaxial layer lattice matched to (100)-GaAs substrates, with a photoluminescence efficiency comparable to that of a crystal grown by liquid-phase epitaxy. A GaInP/AlInP double heterostructure laser with a GaInP active layer was fabricated, and pulsed lasing operation was achieved at room temperature for, we believe, the first time.

1989-11-01

422

Description of alkane and benzene halogen derivatives adsorption on graphitized thermal carbon black based on the model of ideal two-dimensional gas  

International Nuclear Information System (INIS)

By comparison of standard entropies theoretically calculated and determined from gas-chromatographic data for 40 halo-aliphatic and halo-aromatic compounds 8 organic iodine compounds among them, adsorbed on graphitized thermal carbon black it was found that in all the cases the molecular model of ideal two-dimensional gas is a sufficiently good approximation. It was shown that for a number of systems the agreement can be improved if the vibrations of the center of molecular mass relative to the surface are taken into account

423

Application of electro-Fenton oxidation for the detoxification of olive mill wastewater phenolic compounds  

Energy Technology Data Exchange (ETDEWEB)

Olive mill effluent (OMW) is an example of a wastewaters containing high concentrations of recalcitrant and toxic compounds which are polyphenolics of different molecular weight. It causes disposal problems because they contain powerful pollutants. Treatment and detoxification of phenolic fraction extracted from olive mill wastewaters as well as a synthetic phenolic mixture was investigated by electro-Fenton method. Results shows that this method is highly efficient in polymerising low molecular mass phenolics and removing a large amount of recalcitrant polyphenolic compounds. This treatment decreased 78% of the toxicity which sustained a good anaerobic post-treatment. (orig.)

2003-07-01

424

Metabolic relationships between monogalactosyldiacylglycerol and digalactosyldiacylglycerol molecular species in Dunaliella salina  

Energy Technology Data Exchange (ETDEWEB)

Dunaliella salina cells were pulse-labeled for 2 min with (/sup 14/C)palmitic acid, (/sup 14/C)oleic acid, or (/sup 14/C)lauric acid in order to trace the pathway of galactolipid biosynthesis and desaturation. Through the use of high performance liquid chromatography it was possible to follow the movement of radioactivity through many individual molecular species of monogalactosyldiacylglycerol (MGDG) and digalactosyldiacylglycerol (DGDG) for periods of 24 h and, in some cases, as much as 120 h. Analysis of the fatty acid fluxes permitted us to refine current views regarding biosynthesis of the predominantly prokaryotic galactolipids. The initial D. salina MGDG molecular species, containing paired oleate and palmitate (18:1/16:0), can follow two metabolic routes. If the palmitoyl chain is desaturated to 16:1, the resulting 18:1/16:1 MGDG is subject to rapid further desaturation to varying degrees, and a part of these products is subsequently ...

1987-06-05

425

Functional and physical molecular size of the chicken hepatic lectin determined by radiation inactivation and sedimentation equilibrium analysis  

Energy Technology Data Exchange (ETDEWEB)

Radiation inactivation and sedimentation equilibrium analysis were used to determine the functional and physical size of the chicken hepatic membrane receptor that binds N-acetylglucosamine-terminated glycoproteins. Purified plasma membranes from chicken liver were irradiated with high energy electrons and assayed for 125I-agalactoorosomucoid binding. Increasing the dose of ionizing radiation resulted in a monoexponential decay in binding activity due to a progressive loss of binding sites. The molecular mass of the chicken lectin, determined in situ by target analysis, was 69,000 +/- 9,000 Da. When the same irradiated membranes were solubilized in Brij 58 and assayed, the binding protein exhibited a target size of 62,000 +/- 4,000 Da; in Triton X-100, the functional size of the receptor was 85,000 +/- 10,000 Da. Sedimentation equilibrium measurements of the purified binding protein yielded a lower limit molecular weight of 79,000 +/- 7,000. ...

1990-03-05

426

Development of methods of forecasting properties of polymer packaging materials which do not cause any changes in medicinal preparations during sterilization  

International Nuclear Information System (INIS)

The authors present the results of an investigation of the effect of gamma radiation on the properties of low-molecular moulded polymethyl methacrylates (molecular weight distribution, physico-mechanical properties, resistance to the effects of aqueous media and physiological solution) in the form of copolymers of methyl methacrylate with methyl acrylate (MA) or butyl acrylate (BA) with the brand names Dacryl-4B, Dacryl-2M and Dacryl-4M (4% BA; 2 and 4% MA respectively) having a molecular weight of around 10"5. For comparison, block polymethyl methacrylate with a molecular weight of 3 x 10"6 was used. The results of experiments on the ageing of unirradiated and irradiated specimens in a heated store-room (t = 10 - 20"0C) and at high temperatures (90"0C) are also given. It is shown that irradiation with doses of 2.5 - 20 Mrad leads to radiolysis of the above copolymers, accompanied by destructive ...

1974-12-09

427

Development of methods for forecasting properties of polymer packaging materials which do not cause any change in medicinal preparation during their sterilization  

International Nuclear Information System (INIS)

The authors present the results of an investigation of the effect of gamma radiation on the properties of low-molecular moulded polymethyl methacrylates (molecular weight distribution, physicomechanical properties, resistance to the effects of aqueous media and physiological solution) in the form of copolymers of methyl methacrylate with methyl (MA) or butyl acrylate (BA) with the brand names Dacryl-4B, Dacryl-2M and Dacryl-4M (4% BA; 2 and 4% MA respectively) having a molecular weight of around 10"5. For comparison, block polymethyl methacrylate with a molecular weight of 3 x 10"6 was used. The results of experiments on the ageing of unirradiated and irradiated specimens in a heated store-room (t = 10 - 20"0C) and at high temperatures (90"0C) are also given. It is shown that irradiation with doses of 2.5-20 Mrad leads to radiolysis of the above copolymers, accompanied by destructive processes. Evidence ...

1975-01-01

428

Quantum and semiclassical spin networks: from atomic and molecular physics to quantum computing and gravity  

Energy Technology Data Exchange (ETDEWEB)

The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory-and of its extension to other Lie and quantum groups-by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing powerful tools based on asymptotic expansions, which correspond on the physical side to ...

2008-11-15

429

Molecular-beam/surface-science apparatus for state-resolved chemisorption studies using pulsed-laser preparation  

International Nuclear Information System (INIS)

We describe a new apparatus that combines pulsed laser excitation in a molecular beam with surface-science methods for preparation of clean single-crystal surfaces and detection of adsorbates to enable state-selected studies of gas-surface reaction dynamics. Reactant molecules are prepared in specific vibrationally excited states via overtone pumping using tunable, narrow-band laser radiation. The collision-free environment of the molecular beam prevents relaxation of the prepared molecules before impact on the target surface and enables complete control over the collision energy and incidence angle. Chemisorption products are detected after a given deposition time by Auger electron spectroscopy. To achieve sufficient beam flux of state-selected reactant molecules for product detection by standard surface-science techniques, we use a high-intensity, short-pulse molecular-beam source matched to the low duty cycle of the ...

2003-09-01

430

Investigating the formation mechanism of soot-like materials present in blast furnace coke samples  

Science.gov (United States)

An attempt to gain an understanding of the formation mechanism of these 'soot-like' materials has been made by means of tracing the changes in the molecular-mass distribution and molecular structure of the NMP-extractable materials from an injectant coal as well as its partially gasified chars and its pyrolytic tars. Variations in the SEC chromatograms provide clues about changes in the apparent molecular-mass distributions of these NMP extracts. Results suggest that the build-up of 'soot-like' materials follows from the secondary reactions of tars evolved from the injectant coal. The likely secondary-reaction pathways have been probed by collating structural information on these NMP extracts. The time-resolved 13-16 and 22-25 min elution fractions from the SEC column have been characterized using UV fluorescence (UV F) spectroscopy. Greater concentrations of larger aromatic ring systems ...

2008-09-15

431

EXTREMELY LARGE AND HOT MULTILAYER KEPLERIAN DISK AROUND THE O-TYPE PROTOSTAR W51N: THE PRECURSORS OF THE HCH II REGIONS?  

International Nuclear Information System (INIS)

We present sensitive high angular resolution (0.''57-0.''78) SO, SO_2, CO, C_2H_5OH, HC_3N, and HCOCH_2OH line observations at millimeter and submillimeter wavelengths of the young O-type protostar W51 North made with the Submillimeter Array. We report the presence of a large (about 8000 AU) and hot molecular circumstellar disk around this object, which connects the inner dusty disk with the molecular ring or toroid reported recently and confirms the existence of a single bipolar outflow emanating from this object. The molecular emission from the large disk is observed in layers with the transitions characterized by high excitation temperatures in their lower energy states (up to 1512 K) being concentrated closer to the central massive protostar. The molecular emission from those transitions with low or moderate excitation temperatures is found in the outermost parts of the disk and exhibits an inner ...

2010-12-10

432

Topological and thermodynamic investigations of molecular interactions of aniline and o-toluidine with chloroform  

Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} have been determined by employing speed of sound data. Topological investigations of V{sup E} data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. H{sup E} and {kappa}{sub S}{sup E} values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated H{sup E} and {kappa}{sub S}{sup E} values compare well with their corresponding experimental ...

2008-05-30

433

Topological and thermodynamic investigations of molecular interactions of aniline and o-toluidine with chloroform  

International Nuclear Information System (INIS)

Molar excess volumes, VE, molar excess enthalpies, HE, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, ?SE have been determined by employing speed of sound data. Topological investigations of VE data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. HE and ?SE values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated HE and ?SE values compare well with their corresponding experimental values. The observed VE, HE and ?SE data have also been analyzed in terms of Flory ...

2008-05-30

434

Theoretical study of asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2  

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

2009-02-18

435

The response of quartz crystals coated with thin fatty acid film to organic gases  

Energy Technology Data Exchange (ETDEWEB)

We tried to apply a quartz crystal as a sensor by using the resonant frequency and the resistance properties of quartz crystals. Four kinds of fatty acids that have the same head groups were coated on the surfaces of the quartz crystals, and the shift of the resonant frequency and the resistance were observed based on the lengths of the tail groups. Myristic acid (C{sub 14}), palmitic acid (C{sub 16}), stearic acid (C{sub 18}), and arachidic acid (C{sub 20}) were deposited on the surfaces of quartz crystals by using the Langmuir-Blodgett (LB) method. As a result, the resonant frequency change was more sensitive to high molecular-weight fatty acids than to low molecular-weight ones. We also observed the effect of temperature on stearic acid LB films, and the response properties of quartz crystals coated with stearic-acid LB films to organic gases were investigated. As a result, the sensitivity of quartz crystals to organic gases was higher for ...

1999-07-01

436

The Local Environment of the FUor-like Objects AR 6A and 6B  

CERN Document Server

We present new 12CO J=3-2 and HCN J=3-2 molecular line maps of the region surrounding the young star AR 6 using the 15 metre James Clerk Maxwell Telescope. AR 6 was previously found to be a double source with both components exhibiting several characteristics of FU Orionis (FUor) eruptive variable stars. Our data indicates that AR 6, like FU Orionis itself, does not possess a CO outflow and likewise, does not show evidence for large amounts of molecular g as in its circumstellar environment. We conclude that from the near-IR to the sub-mm, AR 6 is similar to FU Orionis in several respects. We interpret the lack of significant dust and molecular gas in the circumstellar environment of AR 6, together with the large near-IR thermal excess, as evidence that the sources have exhausted their natal envelopes, that they have at least small hot circumstellar disks, and that they are more evolved than Class I protostars. This, in ...

2008-01-01

437

Studies about the separation of molecular species of hydrogen's isotopes by cryogenic distillation in a plant for heavy water detritiation  

Energy Technology Data Exchange (ETDEWEB)

Cryogenic distillation is the main industrial method for separating hydrogen's isotopes, because it presents the advantage of high separating factors and also the possibility of processing great quantities of gases. In the case of multicomponent mixtures the determination of transport for molecular species between the two phases is very difficult owing to the particularities of physical characteristics of each component from the mixture. The transport of molecular species is also strongly influenced by the hydrodynamics of two phases, in strong connection with the dimension of the interface between the vapor and liquid phase. The characteristics of the interface depend on the type and geometry of the separation area: plates or package. The traditional methods of analysis for exchange processes use the concept 'theoretic plate', a physical entity for which the values of concentrations for vapors and liquid that leaves ...

1998-07-01

438

Simulating fullerene ball bearings of ultra-low friction  

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.

2007-03-21

439

Quantum computing using molecular electronic and vibrational states  

Energy Technology Data Exchange (ETDEWEB)

We numerically constructed elementary phase-correct global quantum gates by using molecular electronic and vibrational states to encode two qubits and implement the Deutsch-Jozsa algorithm. The calculations were based on optimal control theory (OCT). The molecular species we chose were Na{sub 2} and Li{sub 2}. The electronic X{sup 1}{sigma}{sub g}{sup +} and A{sup 1}{sigma}{sub u}{sup +} states were taken as two orthonormalized energy levels of the electronic qubit. The vibrational qubits were those involved in these electronic states. The time duration of the optimized pulses with high fidelity was typically 500-900 fs, which reflects the wavepacket dynamics in electronically ground and excited states. When implementing the Deutsch-Jozsa algorithm by combining these elementary gates, we obtained a maximum probability 83.12% for Li{sub 2} molecule, which indicates that the electronic-vibrational qubits are worse than the vibrational-vibrational ...

2008-01-22

440

Double-Edge Molecular Measurement of Lidar Wind Profiles in the VALID Campaign  

Science.gov (United States)

We have developed a transportable container based direct detection Doppler lidar based on the double-edge molecular technique. The pulsed solid state system was built at the University of Geneva. It was used to make range resolved measurements of the atmospheric wind field as part of the VALID campaign at the Observatoire de Haute Provence in Provence, France in July 1999. Comparison of our lidar wind measurements, which were analyzed without knowledge of the results of rawinsonde measurements made under the supervision of ESA, show good agreement with these rawinsondes. These are the first Doppler lidar field measurements made with an eyesafe direct detection molecular-based system at 355 nm and serve as a demonstrator for future spaceborne direct detection wind systems such as the Atmospheric Dynamics mission. Winds are an important contributor to sea surface temperature measurements made with the Tropical Rainfall Measuring Mission (TRMM) ...

2000-01-01

441

Cosmic evolution of the atomic and molecular gas content of galaxies  

CERN Document Server

We study the evolution of the cold gas content of galaxies by splitting the interstellar medium into its atomic and molecular hydrogen components, using the galaxy formation model GALFORM in the LCDM framework. We calculate the molecular-to-atomic hydrogen mass ratio, H2/HI, in each galaxy using two different approaches; the pressure-based empirical relation of Blitz & Rosolowsky and the theoretical model of Krumholz, McKeee & Tumlinson, and apply them to consistently calculate the star formation rates of galaxies. We find that the model based on the Blitz & Rosolowsky law predicts an HI mass function, CO(1-0) luminosity function, correlations between the H2/HI ratio and stellar and cold gas mass, and infrared-CO luminosity relation in good agreement with local and high redshift observations. The HI mass function evolves weakly with redshift, with the number density of high mass galaxies decreasing with increasing redshift. In the ...

2011-01-01

442

Coal structure construction system with construction knowledge and partial energy evaluation; Kochiku chishiki to bubunteki energy hyoka ni yoru sekitan bunshi kozo kochiku system  

Energy Technology Data Exchange (ETDEWEB)

The computer aided coal structure construction system is proposed, and a computational construction example is presented. The coal structure construction engine of this system fabricates molecular structure by connecting fragments sequentially inputted through a user interface. The best structure candidate is determined using construction knowledge and partial energy evaluation every addition of one fragment, and this process is subsequently repeated. The structure evaluation engine analyzes the 3-D conformation candidate by molecular dynamics, and evaluates the conformation by determining the energy value of an optimum structure. As an example, this system was applied to construction of coal molecular structure based on the actual data of partial structure composed of 26 structures from 2l kinds of aromatic cluster structures, 27 bonds from 2 kinds of bridged bonds, and 16 groups from 2 kinds of terminal substitutional ...

1996-10-28

443

CdS and ZnS quantum dots embedded in hyaluronic acid films  

Energy Technology Data Exchange (ETDEWEB)

An in situ synthesis of ZnS and CdS quantum dots (QDs) in an aqueous solution of sodium hyaluronate (Hyal) produced foils emitting light on excitation with a UV light. The wavelength of emission was only slightly QDs size and more QDs concentration dependent and reached up to {approx}320 nm in the case of ZnS and {approx}400-450 nm in the case of CdS. Nanoparticles remained as non-agglomerated 10-20 nm nanoclusters. CdS/Hyal and ZnS/Hyal-QDs biocomposites were characterized using photoluminescence (PL), IR spectrometric techniques, and Transmission Electron Microscopy (TEM). The absolute molecular weights, radii of gyration, R{sub g}, and thermodynamic properties of the obtained foils are given. Electric resistivity studies performed for the hyaluronic foil in the 100-1000 V range have revealed that the hyaluronate foil has very weak conducting properties and QDs only insignificantly affect those properties as QDs practically did not interact with the foil. Size ...

2009-07-29

444

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples  

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 ...

2007-03-03

445

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples  

Energy Technology Data Exchange (ETDEWEB)

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 ...

2007-05-15

446

All-atom molecular dynamics simulations using orientational constraints from anisotropic NMR samples  

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 ...

2007-05-01

447

Tight-binding Hamiltonians for high-temperature superconductors and applications to coherent-potential-approximation calculations of the electronic properties of La/sub 2-//sub x/Ba/sub x/CuO/sub 4-//sub y/  

International Nuclear Information System (INIS)

We present accurate tight-binding parametrizations of the first-principles augmented-plane-wave or linear-augmented-plane-wave band structures of LaCuO_3, La_2CuO_4, Ba_2CuO_4, and the high-temperature superconductor YBa_2Cu_3O_7. We discuss the methodology and efficient application of these fits, including as an example our tight-binding coherent-potential-approximation (CPA) calculations of the effects of disorder on the electronic structure of La/sub 2-//sub x/Ba/sub x/CuO/sub 4-//sub y/. Our CPA calculations support the hypothesis of a rigid-band lowering of the Fermi level for La/sub 2-//sub x/Ba/sub x/CuO_4, enhancing the density of states there. However, for La_2BaCuO/sub 4-//sub y/ they yield the interesting result that oxygen vacancies also lower E/sub F/ and raise N(E/sub F/). This is a significant result for the theory of superconductivity in these materials. In addition to CPA calculations, our parametrizations of the band structures should prove to be a useful tool for ...

448

Simulation of the experimental crystal field splitting pattern of a mono tetrahydrofuran adduct derived from tris(bis(trimethylsilyl)amido)neodymium(III)  

International Nuclear Information System (INIS)

Full text: In case of lanthanide (Ln) compounds the bis(trimethylsilyl)amido (btmsa) ligand is considered as a steric and electronic equivalent of the bis(trimethylsilyl)methanido (btmsm) group . Because of their extreme air and moisture sensitivity the chemistry of Ln(btmsm)_3 is very poor, whereas that of comparatively stable Ln(btmsa)_3 is much more developed. As we wish to extend the chemistry of Ln(btmsm)_3 and plan to derive and to parameterize the crystal field (CF) splitting patterns of the target molecules, it is recommended to study in advance the electronic structures of the corresponding compounds derived from Ln(btmsa)_3 . Beside (btmsa)_3 Nd(m-Cl)Li(THF)_3 a number of mono base adducts [(btmsa)_3 Ln.B] with sterically less demanding bases such as OPPh_3 , NCtBu or CNtBu have been described and were partly structurally characterized. Considering only the immediately coordinating atoms, the effective CF is of C_3_v symmetry. According to recent spectroscopic investigations, ...

1998-10-25

449

Shell-model calculations for the energy levels of the N=50 isotones with A=80--87  

International Nuclear Information System (INIS)

The detailed features of the calculated energy-level schemes and of the single-particle, orbit-occupancy properties of the low-lying levels of the N=50 isotones "8"0Zn, "8"1Ga, "8"2Ge, "8"3As, "8"4Se, "8"5Br, "8"6Kr, and "8"7Rb are presented and discussed. These results are obtained with a new effective Hamiltonian operator obtained empirically from an iterative fit to experimental energies taken from all experimentally studied (A=82--96) N=50 nuclei. The model space for the calculations consists of active 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ proton orbits relative to a nominal "7"8Ni core. This space is truncated internally by restricting the number of particles excited from the negative-parity orbits into the g/sub 9/2/ orbit to be no greater than four. The typical structures predicted for these lighter N=50 isotones are found to be dominated by well-mixed combinations of fp-orbit configurations, with the g/sub 9/2/ orbit playing a minor role in ...

9110-01-01

450

Shell-model calculations for the energy levels of the /ital N/=50 isotones with /ital A/=80--87  

Energy Technology Data Exchange (ETDEWEB)

The detailed features of the calculated energy-level schemes and of thesingle-particle, orbit-occupancy properties of the low-lying levels of the/ital N/=50 isotones /sup 80/Zn, /sup 81/Ga,/sup 82/Ge, /sup 83/As, /sup 84/Se,/sup 85/Br, /sup 86/Kr, and /sup 87/Rb arepresented and discussed. These results are obtained with a new effectiveHamiltonian operator obtained empirically from an iterative fit to experimentalenergies taken from all experimentally studied (/ital A/=82--96)/ital N/=50 nuclei. The model space for the calculations consists ofactive 0/ital f//sub 5/2/, 1/ital p//sub 3/2/,1/ital p//sub 1/2/, and 0/ital g//sub 9/2/ proton orbits relativeto a nominal /sup 78/Ni core. This space is truncated internally byrestricting the number of particles excited from the negative-parity orbitsinto the /ital g//sub 9/2/ orbit to be no greater than four. The typicalstructures predicted for these lighter /ital N/=50 isotones are found tobe dominated by well-mixed ...

1989-07-01

451

Luminescence and laser transition studies of Dy3+:K-Mg-Al fluorophosphate glasses  

International Nuclear Information System (INIS)

Dysprosium ion doped fluorophosphate glasses with compositions of PKMAFDy: (56-x/2) P2O5+17K2O+8Al2O3+(15-x/2)MgO+4AlF3+xDy2O3 (x=0.01, 0.05, 0.1, 1.0 and 2.0 mol%) have been prepared by melt quenching technique and are characterized by optical absorption, emission spectra and fluorescence lifetime measurements. The observed bands in the absorption spectrum are analysed by using free-ion Hamiltonian (HFI) model. The Judd-Ofelt (JO) analysis has been performed and the intensity parameters (??, ?=2, 4, 6) have been evaluated that are used to predict radiative properties. From emission spectra, the effective bandwidth (??eff) and the stimulated emission cross-section (?(?p)) were evaluated. The fluorescence decay from the 4F9/2 level of Dy3+ ions have been measured by monitoring the intense 4F9/2#->#6H13/2 transition (573 nm). The lifetimes (?) are found to decrease with increasing concentration due to concentration quenching. The decay curves are single ...

2009-02-28

452

Crystal field analysis of the energy level structure of Cs{sub 2}NaAlF{sub 6}:Cr{sup 3+}  

Energy Technology Data Exchange (ETDEWEB)

An analysis of the energy level structure of Cr{sup 3+} ions in Cs{sub 2}NaAlF{sub 6} crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr{sup 3+} ions at the two crystallographically inequivalent sites in Cs{sub 2}NaAlF{sub 6}. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr{sup 3+} ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. Using the ECM ...

2006-06-07

453

Crystal field analysis of the energy level structure of Cs2NaAlF6:Cr3+  

International Nuclear Information System (INIS)

An analysis of the energy level structure of Cr3+ ions in Cs2NaAlF6 crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr3+ ions at the two crystallographically inequivalent sites in Cs2NaAlF6. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr3+ ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. Using the ECM predicted CFPs as an input for the CFA/MSH ...

2006-06-07

454

XML schema for atomic and molecular data. Summary report of consultants' meeting  

International Nuclear Information System (INIS)

Advanced developments in computer technologies offer exciting opportunities for new distribution tools and applications in various fields of physics. The convenient and reliable exchange of data is clearly an important component of such applications. Therefore, in 2003, the A+M Data Unit initiated within the collaborative efforts of the DCN (Data Centre Network) a new standard for atomic, molecular and particle surface interaction data exchange (AM'PSI) based on XML (eXtensible Markup Language). A working group composed of staff from the IAEA, NIST, ORNL and Observatoire Paris-Meudon meets biannually to discuss progress made on the XML schema, and to foresee new developments and actions to be taken to promote this standard for AM/PSI data exchange. (author)

2007-12-06

455

Transforming Growth Factor-b Induces Differentiation of the Labyrinthine Trophoblast Stem Cell Line SM10  

British Library Electronic Table of Contents (United Kingdom)

The mammalian placenta consists of different trophoblast cell types that assist in the variety of functions required for the maintenance of pregnancy. In rodents, labyrinthine trophoblasts of the placenta are especially important, because they are capable of differentiating into fused labyrinthine cells, which form the feto-maternal exchange surface. Even though the molecular signals triggering labyrinthine trophoblast differentiation are poorly understood, transforming growth factor-b (TGF-b) has been shown to be present in the placental environment and alter trophoblast development. In this study, we investigated the effects of TGF-b on the differentiation of the labyrinthine trophoblast stem cell lines SM10 and HRP-1. RT-PCR analyses demonstrated that while the molecular expression of l...

2005-01-01

456

Torsional responses of double-walled carbon nanotubes via molecular dynamics simulations  

Energy Technology Data Exchange (ETDEWEB)

The buckling behaviors of double-walled carbon nanotubes (DWCNTs) under torsion are investigated by using molecular dynamics (MD) simulations. The effect of length on the torsional buckling behaviors of DWCNTs is examined for the first time. The simulation results show that the DWCNTs experience gradual or simultaneous buckling deformations depending on their lengths. In addition, the effect of the inner tube in a DWCNT on its torsional buckling behavior is also examined. The presence of the inner tube triggers van der Waals (vdW) interactions between it and the outer tube and thus leads to a stiffening effect of the DWCNT against torsional deformation. Whether the ends of the inner tube are free or fixed and whether it is subject to a torque or not, the critical torque and the critical torsional angle of the outer tube are only marginally affected.

2008-11-12

457

Topological investigations of molecular interactions in mixtures containing alkanols: molar excess volumes and molar excess enthalpies  

International Nuclear Information System (INIS)

Molar excess volumes, VE and molar excess enthalpies, HE of 1,3-dioxolane (D) (i) + propan-1-ol, 1,3-dioxolane (i) + butan-1-ol and 1,3-dioxolane (i) + butan-2-ol (j) binary mixtures have been measured as a function of composition at 308.15 K. The analysis of VE data by graph, theoretical approach reveals that while propan-1-ol, butan-1-ol exist as associated entities in the pure state; 1,3-dioxolane and butanol exist as monomers in their pure state. These (i+j) binary mixtures are characterized by interactions between ethereal oxygen atom of D(i) and hydrogen atom of alkanols. The IR studies lend additional support to the proposed structure of molecular entitles in these mixtures. The energetics of the mixtures have also been studied.

2004-04-08

458

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

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...

2008-01-01

459

The structure of molecular clouds - III. A link between cloud structure and star formation mode  

British Library Electronic Table of Contents (United Kingdom)

Abstract We analyse extinction maps of nearby giant molecular clouds to forge a link between driving processes of turbulence and modes of star formation. Our investigation focuses on cloud structure in the column density range above the self-shielding threshold of 1-mag AV and below the star formation threshold - the regime in which turbulence is expected to dominate. We identify clouds with shallow mass distributions as cluster forming. Clouds that form stars in a less clustered or isolated mode show a steeper mass distribution. Structure functions prove inadequate to distinguish between clouds of different star formation mode. They may, however, suggest that the turbulence in the average cloud is governed by solenoidal forcing. The same is found using the -variance analysis which also in...

2011-01-01

460

Structures, Vibrational And Electronic Properties Of (F2O)N (N=2-4) Clusters  

International Nuclear Information System (INIS)

Recently, molecular clusters are the subject of several experimental and computational studies by means of their bonding structures. We studied, first time, small difluorine monoxide clusters such as dimer (linear, cyclic, bifurcated), trimer and tetramer structures using B3LYP variant of density functional theory with cc-pVDZ basis set. On the basis of the optimized geometry, various energy properties such as binding energy, molecular orbital energies, two and three body interaction energies have been calculated. Additionally dipole moment, polarizability, anisotropic polarizability and hyper polarizability have been calculated and compared with monomer structure.

2008-08-25

461

Structure, mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics  

Energy Technology Data Exchange (ETDEWEB)

Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si{sub 3}N{sub 4}. The authors find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si{sub 3}N{sub 4} as a function of grain size and porosity are well described by a multiphase model for heterogeneous materials. The study of fracture in the nanophase Si{sub 3}N{sub 4} reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si{sub 3}N{sub 4}. This is due to branching and pinning of the crack front by nanoscale microstructures.

1997-09-01

462

Stochastic kinetics of ribosomes: single motor properties and collective behavior  

CERN Document Server

Synthesis of protein molecules in a cell are carried out by ribosomes. A ribosome can be regarded as a molecular motor which utilizes the input chemical energy to move on a messenger RNA (mRNA) track that also serves as a template for the polymerization of the corresponding protein. The forward movement, however, is characterized by an alternating sequence of translocation and pause. Using a quantitative model, which captures the mechanochemical cycle of an individual ribosome, we derive an {\\it exact} analytical expression for the distribution of its dwell times at the successive positions on the mRNA track. Inverse of the average dwell time satisfies a ``Michaelis-Menten-like'' equation and is consistent with the general formula for the average velocity of a molecular motor with an unbranched mechano-chemical cycle. Extending this formula appropriately, we also derive the exact force-velocity relation for a ribosome. Often many ribosomes ...

2009-01-01

463

Species in the genus Turritopsis (Cnidaria, Hydrozoa): a molecular evaluation:  

British Library Electronic Table of Contents (United Kingdom)

Abstract Mitochondrial ribosomal gene sequences were used to investigate the status of several populations of hydromedusae belonging to the genus Turritopsis (family Oceaniidae). Several nominal species have been described for this genus, but most of them had been synonymized and attributed to one cosmopolitan species, Turritopsis nutricula. A recent revision based on morphological and reproductive characters, however, has shown that many different populations can be distinguished and that several of the nominal Turritopsis species are likely valid biological species. Our investigation using molecular sequence data of 16S mitochondrial gene confirms these results. The Mediterranean Turritopsis must be attributed to Turritopsis dohrnii and the Turritopsis of New Zealand must be referred to ...

2007-01-01

464

Potentially pathogenic free-living amoebae isolated from hospital wards with immunodeficient patients in Tehran, Iran  

British Library Electronic Table of Contents (United Kingdom)

This study investigated the occurrence of free-living amoebae (FLA) in immunodeficiency wards of hospitals in Tehran, Iran. A total of 70 dust and biofilm samples from wards serving transplant, pediatric (malignancies), HIV, leukemia and oncology patients of five university hospitals were collected and examined for the presence of FLA using culturing and molecular approaches. Based on the morphology of the amoebae in plate cultures, primer sets were applied for molecular identification of Acanthamoeba, vahlkampfiid amoebae and Hartmannella. Out of 70 samples, 37 (52.9%) were positive for FLA. Acanthamoeba belonged to the T4 genotype was the most prevalent isolate. Presence of the T4 genotype on medical instruments, including an oxygen mask in an isolation room of an immunodeficiency pediat...

2011-01-01

465

NAME=\\  

Wastenet

...the School, the research group structure was recently revised and now comprises the following teams: Drug Design and Analysis Pharmaceutics Pharmacy Practice and Policy Pharmacological and Biomedical Science The current structure was designed to take into account the future development of research in the academic area. The ...Discovery, Molecular Modelling, Pharmacology and Molecular Biology) and international recognition (Biological Sciences), which have now been re-organised into the Drug Design and Analysis and Pharmacological and Biomedical Sciences teams. The reorganisation also aimed to improve the research reputation of the other teams. The improvements in ... Email to a friend Print Within this area Drug design and analysis Pharmaceutics Pharmacy practice and policy Pharmacological and biomedical sciences Projects Publications Staff Considering a course? Research Degrees Course Finder Order a Prospectus Subject Areas Sunderland Facts ...

466

Morphologie des cellules de levure et la reproduction sexuelle - Apercu general et quelques considerations  

British Library Electronic Table of Contents (United Kingdom)

Over the decades, basic research in life sciences has profited greatly from the study of the small unicellular fungal species Saccharomyces cerevisiae. This yeast turned out to be key for the identification and understanding of molecular mechanisms that underlay the basic functions of all eukaryotic cells. These include, but are not limited to, the regulatory mechanisms behind cellular reproduction (cell cycle control), cellular morphogenesis (cell polarity, cytoskeleton and membrane trafficking) and the management of cellular information (chromosome biology, transcription and translation). Rapid access to genomic information of many yeast species, combined with bioinformatics analyses, provide information on the evolutionary history of yeasts and the molecular ancestry of their constituen...

2011-01-01

467

Molten glass corrosion resistance of immersed combustion-heating tube materials in E-glass  

International Nuclear Information System (INIS)

The corrosion resistance of molybdenum, molybdenum disilicide, and a SiC_(_p_)/Al_2O_3 composite to molten E-glass at 1,550 C was studied. Mo showed no tendency to oxidize as it was immersed in soda-lime silicate glass in a parallel study. MoSi_2 was corroded by soluble molecular oxygen, leaving a Mo_5Si_3 interface behind. The SiC_(_p_)/Al_2O_3 composite was corroded at a more rapid rate wherein the SiC component was oxidized to form amorphous silica and CO bubbles. Based on these results, the activity of soluble molecular oxygen in E-glass was determined to be in the range of 2.4 x 10"-"1"4 to 2.0 x 10 "-"8.

468

Molecular structure of platinum(III) hydroxoacetates according to data from EXAFS spectra  

Energy Technology Data Exchange (ETDEWEB)

The EXAFS spectra of the platinum(III) complexes Pt/sub 4/(OAc)/sub 10/(OH)/sub 2/ (I) and Pt/sub 4/ (OAc)/sub 4/(OH)/sub 8/(H/sub 2/O)/sub 2/ (II) have been investigated. It has been found by a curve-fitting method and with the aid of Fourier transformations that the shortest Pt-Pt distances are 2.61 A in complex I and 2.36 and 2.6 A in II. The values of the bond lengths obtained are consistent with the molecular structures proposed for complexes I and II, which contain skeletons of four platinum atoms in the form of a square or a rectangle, as well as with the known literature data on the lengths of Pt-Pt bonds in Pt(III) complexes.

1986-04-01

469

Molecular statistical calculation of thermodynamic characteristics of adsorption of O-, S-, and Se-containing heteroadamantanes on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...

2010-01-01

470

Molecular prospecting for cryptic species in Phyllodistomum lacustri (Platyhelminthes, Gorgoderidae)  

British Library Electronic Table of Contents (United Kingdom)

Rosas-Valdez, R., Choudhury, A. & Prez-Ponce de Len, G. (2011). Molecular prospecting for cryptic species in Phyllodistomum lacustri (Platyhelminthes, Gorgoderidae). -Zoologica Scripta, 40, 296-305. Partial sequences of the 28S ribosomal RNA and cytochrome c oxidase I (COI) genes were compared among populations of a widely distributed and morphologically uniform digenean species in North America, Phyllodistomum lacustri, a parasite characteristically associated with ictalurid catfishes. Specimens were collected from the urinary bladder of ictalurid hosts in six localities of North America, spanning most of the latitudinal range of this freshwater fish group. Sequences of other congeneric species, including a potentially close relative, P.-staffordi, were also obtained and used for comparis...

2011-01-01

471

Molecular environment of the IIId subdomain of the IRES element of hepatitits C virus RNA on the human 40S ribosomal subunit  

British Library Electronic Table of Contents (United Kingdom)

The molecular environment of the key subdomain IIId of the internal ribosome entry site (IRES) element of hepatitis C virus (HCV) RNA in the binary complex with the human 40S ribosomal subunit was studied. To this end, HCV IRES derivatives bearing perfluorophenylazido groups activatable by mild UV at nucleotides G263 or A275 in the subdomain IIId stem were used. They were prepared by the complementary addressed modification of the corresponding RNA transcript with alkylating oligodeoxyribonucleotide derivatives. None of the RNA derivatives were shown to be crosslinked to the 18S rRNA. It was found that the photoreactive groups of the IRES G263 and A275 nucleotides are crosslinked to ribosomal proteins S3a, S14, and S16. For the IRES derivative with the photoreactive group in nucleotide G26...

2009-01-01

472

Molecular dynamics study of TiO2/poly(acrylic acid-co-methyl methacrylate) and Fe3O4/polystyrene composite latex particles prepared by heterocoagulation  

British Library Electronic Table of Contents (United Kingdom)

All-atom molecular dynamics simulations were used to study the morphology of polymer/inorganic composite particles prepared by heterocoagulation. The results were also compared to those of our previous study of the preparation of TiO2/poly(acrylic acid-co-methyl methacrylate) and Fe3O4/polystyrene composite particles. In the simulation system, polymer or inorganic particles were simulated by surface-charge-modified C60 or Na atoms. Through a combination of analysis of the radial distribution functions of charged atoms and snapshots of the equilibrated structure, three kinds of particle distributions were observed under different conditions. When the polymer and inorganic particles had opposite surface charges and their sizes were very different, the composite morphology showed a core-shell...

2010-01-01

473

Molecular dynamics simulation of effect of indenter shape on nanoscratch of Ni  

British Library Electronic Table of Contents (United Kingdom)

Thin films of Ni and Ni alloy have been widely used in microelectromechanical systems (MEMS) and magnetic storage systems. As the dimensions of components in these systems decrease to the micro-scale, even the nano-scale, the interfacial phenomena significantly differ to the counterparts on the macro-scale. A better understanding of micro-/nano-tribology will benefit the fabrication of the small components. In this manuscript parallel molecular dynamics (MD) simulations have been conducted to investigate the nanoscratch behavior of nickel. The simulations are performed for two cases with different indenter shapes. Case I has a sharp indenter, while the indenter in Case II is blunt. It has been found that the indenter shape significantly influences the nanoscratch deformation. The sharp ind...

2009-01-01

474

Molecular characterization of Fasciola spp. from the endemic area of northern Iran based on nuclear ribosomal DNA sequences  

British Library Electronic Table of Contents (United Kingdom)

Fasciolosis caused by Fasciola spp. (Platyhelminthes: Trematoda: Digenea) is considered as the most important helminth infection of ruminants in tropical countries, causing considerable socioeconomic problems. In the endemic regions of the North of Iran, Fasciola hepatica and Fasciola gigantica have been previously characterized on the basis of morphometric differences, but the use of molecular markers is necessary to distinguish exactly between species and intermediate forms. Samples from buffaloes and goats from different localities of northern Iran were identified morphologically and then genetically characterized by sequences of the first (ITS-1) and second (ITS-2) Internal Transcribed Spacers (ITS) of nuclear ribosomal DNA (rDNA). Comparison of the ITS of the northern Iranian samples ...

2011-01-01

475

Molecular Characterization of Coprophilous Fungal Communities Reveals Sequences Related to Root-Associated Fungal Endophytes  

British Library Electronic Table of Contents (United Kingdom)

This paper reports the use of molecular methods to characterize the coprophilous fungal communities (CFC) that inhabit the dung of four species of mammalian herbivores at two sites, Sevilleta National Wildlife Refuge (SNWR) in New Mexico and Wind Cave National Park (WCNP) in South Dakota. Results reveal that CFC from domesticated cattle (Bos taurus) at SNWR, and bison (Bison bison) and black-tailed prairie dogs (Cynomys ludovicianus) at WCNP were diverse but dominated primarily by members within eight taxonomic orders, including the rarely cultured and anaerobic order Neocallimastigales. In addition, 7.7% (138 of 1,788) of the sequences obtained from all dung samples were at least 97% similar to root-associated fungal (RAF) sequences previously described from blue grama (Bouteloua gracilis...

2011-01-01

476

Manganese oxide nanowires, films, and membranes and methods of making  

Energy Technology Data Exchange (ETDEWEB)

Nanowires, films, and membranes comprising ordered porous manganese oxide-based octahedral molecular sieves, and methods of making, are disclosed. A single crystal ultra-long nanowire includes an ordered porous manganese oxide-based octahedral molecular sieve, and has an average length greater than about 10 micrometers and an average diameter of about 5 nanometers to about 100 nanometers. A film comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is stacked on a surface of a substrate, wherein the nanowires of each layer are substantially axially aligned. A free standing membrane comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is aggregately stacked, and wherein the nanowires of each layer are substantially axially aligned.

2008-10-21

477

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks  

British Library Electronic Table of Contents (United Kingdom)

In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.

2009-01-01

478

Humectant. Hoshitsuzai  

Energy Technology Data Exchange (ETDEWEB)

This paper elucidates the effect of humectant performance on the wettability of the skin. Humectants are divided into the organic compounds, such as polyols, the organometallic compounds, such as sodium lactate and pyrolidone sodium carboxylate, and the water soluble high molecular compounds, such as polyethylene glycol and hyaluronic acid. Firstly, hygroscopic performances and characteristics of various hcmectants are illustrated. Then, the humectant performance of the skin and relation between amino acid in the horny layer and moisture content are described. The humectant performance possessed in the intercellular lipid of horny layer is also described. Furthermore, are explained the wettability of the skin by cosmetics and the role of humectant as an emulsifying assistant. A mechanism of the dry skin, improvement effect of the skin by humectants, and combining effect of the humectants are presented. Are also presented the nonaqueous emulsification, amino acid ...

1993-06-20

479

Highly-sensitive ion selective electrode based on molecularly imprinted polymer particles for determination of tetracycline in aqueous samples  

British Library Electronic Table of Contents (United Kingdom)

In this work, a highly-sensitive polymeric membrane ion selective electrode for determination of tetracycline was constructed by using molecularly imprinted polymer (MIP) particles as quasi-ionophore. The water-compatible MIP particles targeting tetracycline were synthesized with tetracycline as a template molecule, methacrylic acid as a functional monomer, ethylene glycol dimethacrylate as a cross-linker, 2,2?-azobisisobutyronitrile as an initiator and lanthanum ion as a mediator. Benefited from the distinctive performance of the quasi-ionophore and the optimized composition of the membrane and the inner filling solution, the lower detection limit of the electrode was decreased to about 1 ? 10?8 mol/l. It exhibited a good electrode slope 59.8 mV/decade near the theoretical Nernstian one, ...

2011-01-01

480

High power GaInP-AlGaInP quantum-well lasers grown by solid source molecular beam epitaxy  

Science.gov (United States)

AlGaInP-based quantum-well laser diodes operating at wavelengths near 680 nm have been grown by all solid source molecular beam epitaxy (SSMBE). The lowest room temperature threshold current densities obtained from shallow rid structures were 300 A/cm{sup 2} and 330 A/cm{sup 2} for pulsed and continuous wave operation, respectively. The dependences of the differential quantum efficiency and threshold current density on the cavity length were also studied in this preliminary SSMBE work. The internal quantum efficiency of 87--89% and the internal losses of 7--10 cm{sup {minus}1} were obtained.

1996-03-01

481

Gas chromatographic, quentum-chemical, and molecular statistical studies of cluster adsorption of water and methanol molecules on hydrophilic surface sites of hydrophobic adsorbents  

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 ...

2008-01-01

482

Formation of pentagonal Cu nano wires  

Energy Technology Data Exchange (ETDEWEB)

The development of nano/molecular devices will require atomic-sized electrical contacts or nano metric conductors for wiring. As metal nano wires exhibit quantized conductance at room temperature, quantum transport effects will play an important role in the practical implementation of nano devices. As copper is currently used as interconnecting metal in standard microelectronics, the characterization of Cu nano wire properties deserves special attention. In this work, we show a detailed study of structural and electronic properties of atomic-sized Cu wires. In particular, we have established a complete correlation between the conductance and the structure by associating real-time atomic resolution transmission electron microscopy imaging with molecular dynamic simulations, conductance measurements and conductance calculations. Our study has revealed the structural relaxation of Cu wires forming a pentagonal atomic arrangement along the [110] ...

2004-07-01

483

Evolutionary implications of morphogenesis and molecular patterning of the blind gut in the planarian Schmidtea polychroa  

British Library Electronic Table of Contents (United Kingdom)

The formation of a through-gut was a key innovation in the evolution of metazoans. There is still controversy regarding the origin of the anus and how it may have been either gained or lost during evolution in different bilaterian taxa. Thus, the study of groups with a blind gut is of great importance for understanding the evolution of this organ system. Here, we describe the morphogenesis and molecular patterning of the blind gut in the sexual triclad Schmidtea polychroa. We identify and analyze the expression of goosecoid, commonly associated with the foregut, and the GATA, ParaHox and T-box genes, members of which commonly are associated with gut regionalization. We show that GATA456a is expressed in the blind gut of triclads, while GATA456b is localized in dorsal parenchymal cells. Goo...

2011-01-01

484

Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)  

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

485

Effects of molecular mobility on high resolution solid state NMR spectra: model systems  

Energy Technology Data Exchange (ETDEWEB)

It is the intention of this paper to point to some of the problems due to molecular motion and to suggest a few solutions to those problems. A few examples will be presented of model systems which demonstrate the effects of motion on the NMR spectroscopy and a very qualitative example of severe spectral distortion in fulvic acids will be shown. In the following discussions we will use concepts derived from the oft repeated thermodynamic picture shown in figure 1. When dealing with a homogeneous, pure compound this picture is sufficient but in a heterogeneous mixture, it is likely that there will be different compounds and different domains all with slightly different versions of figure 1 with poor thermodynamic contact between them. Thus optimal conditions for cross polarization in one domain may be totally inappropriate for another. 59 refs., 10 figs.

1986-01-01

486

Dielectric studies of hydrogen bonded ternary systems: Acetonitrile+alcohols+benzene  

British Library Electronic Table of Contents (United Kingdom)

Any molecule which has a hydrogen atom attached directly to oxygen or nitrogen is capable of hydrogen bonding. The molecular complexes formed by hydrogen have particularly attracted considerable attention to understand the nature of the bond. The hydrogen bonded complexes formed by acetonitrile with certain alcohols such as tertiary butyl alcohol, isoamyl alcohol, cyclohexyl alcohol, hexyl alcohol and diethylene glycol in benzene were studied. The dipole moments of 1:1 complexes of the above said systems were determined at 308K. The dipolar increments for these systems were computed from the bond angle data available from molecular orbital studies. All these studied systems show that polarization interaction dominates in all the complexes.

2010-01-01

487

Development of polarizable chloroform potential and its applications to chloroform-water liquid-liquid interface  

Energy Technology Data Exchange (ETDEWEB)

An all-atom polarizable chloroform (CHCl{sub 3}) potential model has been developed using the classical molecular dynamics techniques. This potential is shown to reproduce reasonably well the structural, dynamical, and thermodynamic properties of bulk liquid CHCl{sub 3} at various temperatures and pressures. With this potential, we carried out computer simulations to investigate the CHCl{sub 3}-H{sub 2}O liquid/liquid interface. Detailed structural and electrical properties at the interface will be analyzed via the density profile, radial distribution functions, molecular orientation, hydrogen bonding, and the z-dependent dipole distributions. Comparison will also be made to the results of the CCl{sub 4}-H{sub 2}O liquid/liquid interface.

1996-10-01

488

Determination of low-molecular-weight organic acids and inorganic anions by gradient elution chromatography  

Energy Technology Data Exchange (ETDEWEB)

Conditions of the separation and detection of organic and inorganic anions by gradient ion chromatography and suppressed conductivity detection were studied, and the procedure of gradient elution was optimized. A detection limit of 1 x 10{sup -3} {mu}g x L{sup -1} was obtained using the pre-concentrated column and most relative standard deviations obtained in the determination of seven organic and inorganic anions were below 5%. This method was proved to be simple, rapid and accurate for the separation and determination of low-molecular-weight organic acids and inorganic anions and could be applied in the analysis of the samples from water and steam systems of thermal power plants with satisfactory results. (orig.)

2007-03-15

489

DFT study of structure?properties correlations in [MnTPP][TCNE] quasi-one-dimensional molecular magnets  

British Library Electronic Table of Contents (United Kingdom)

We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...

2011-01-01

490

Crossover of the magnetic levels and adiabatic magnetization of the mesoscopic cluster V15  

British Library Electronic Table of Contents (United Kingdom)

The magnetic three spin-1/2 model for nanometer-scale molecular cluster V15 is analyzed with the emphasis on the origin of the mixing of different spin levels in the resonance fields that is generally important for the problem of single molecular magnets. The zero-field splitting in the ground quadruplet (two Formula Not Shown levels) is shown to depend mainly on the normal component of AS exchange meanwhile the zero-field splitting in the excited Formula Not Shown multiplet is a second order effect with respect to in-plane components of AS exchange. The normal component of the AS exchange is shown to lead to the exact crossing of the magnetic sublevels at the arbitrary direction of the field. The positions of two crossing/anticrossing points in the ground manifold depend mainly on the iso...

2006-01-01

491

Combined radiation and convection in absorbing, emitting, nongray gas-particulate tube flow  

Energy Technology Data Exchange (ETDEWEB)

The interaction of thermal radiation with conduction and convection in thermally developing absorbing, emitting, nongray gas-particulate turbulent suspension flow through a circular tube is investigated. The contribution of thermal radiation is obtained through evaluation of the total hemispherical emittance of the particulate cloud and through evaluation of single band absorptances for molecular gases, modified to account for the interaction with the particles. The governing differential equation is derived as a (nonlinear) energy equation, coupled with integral equations to find the thermal radiation contributions. The energy equation is solved numerically by an implicit finite difference method with an iterative procedure. Qualitative results for Nusselt numbers are shown for a variety and range of parameters, such as optical thickness of particulates and single molecular gas bands, relative gas band position and band width, and temperature ...

1987-05-01

492

Combined radiation and convection in absorbing, emitting, non-Gray gas-particulate tube flow  

Energy Technology Data Exchange (ETDEWEB)

The interaction of thermal radiation with conduction and convection in thermally developing absorbing, emitting, non-gray gas particulate turbulent suspension flow through a circular tube is investigated. The contribution of thermal radiation is obtained through evaluation of the total hemispherical emittance of the particulate cloud and through evaluation of single band absorptances for molecular gases, modified to account for the interaction with the particles. The governing differential equation is derived as a (nonlinear) energy equation, coupled with integral equations to find the thermal radiation contributions. The energy equation is solved numerically by an implicit finite difference with its iterative procedure. Qualitative results for Nusselt numbers are shown for a variety and range of parameters, such as optical thickness of particulates and single molecular gas bands, relative gas band position and band width, and temperature ...

1985-01-01

493

Collisions between H"+ and H_2 at kilo-electron-volt energies: Absolute differential cross sections for small-angle direct, single-, and double-charge-transfer scattering  

International Nuclear Information System (INIS)

Measurements of absolute differential cross sections for H"+-H_2 direct, single-, and double-charge-transfer scattering at 0.5, 1.5, and 5.0 keV are reported at laboratory scattering angles less than 1 degree with an angular resolution of approximately 0.02 degree. The cross sections exhibit deep interference oscillations in single-charge-transfer scattering, but no such oscillations are present in direct and double-charge-transfer scattering. Theoretical cross sections derived using the diatoms-in-molecules method to describe the molecular states in a semiclassical molecular-orbital three-state close-coupling model within a semiclassical framework agree satisfactorily with the experimental results.

494

Chromosomal rearrangement segregating with adrenoleukodystrophy: A molecular analysis  

Energy Technology Data Exchange (ETDEWEB)

The relationship between X chromosome-linked adrenoleukodystrophy and the red/green color pigment gene cluster on Xq28 was investigated in a large kindred. The DNA in a hemizygous male showed altered restriction fragment sizes compatible with at least a deletion extending from the 5[prime] end of the color pigment genes. Segregation analysis using a DNA probe within the color pigment gene cluster showed significant linkage with adrenoleukodystrophy (logarithm of odds score of 3.19 at [theta] = 0.0). These data demonstrate linkage, rather than association, between a unique molecular rearrangement in the color pigment gene cluster and adrenoleukodystrophy. The DNA changes in this region are thus likely to be helpful for determining the location and identity of the responsible gene. 33 refs., 4 figs.

1993-10-15

495

Chemical Analysis of Solid-State Irradiated Human Insulin  

British Library Electronic Table of Contents (United Kingdom)

Purpose To study the chemical modifications induced upon irradiation of solid human insulin at radiosterilization doses and investigate the influence of the absorbed dose on radiolysis. Materials and Methods Volatile radiolytic products were monitored by gas chromatography coupled with mass spectrometry (GC-MS) and non-volatile products by two different high performance liquid chromatography (HPLC) methods: the formation of higher molecular weight proteins was assessed by size exclusion liquid chromatography whereas assays for related compounds and chemical potency tests were carried out using reverse-phase HPLC-UV. Conformational changes were investigated by measurements of circular dichroism. Results After gamma irradiation at 10?kGy, the recovery of insulin was 96.8%; higher molecular w...

2006-01-01

496

Assessing the acid properties of desilicated ZSM-5 by FTIR using CO and 2,4,6-trimethylpyridine (collidine) as molecular probes  

British Library Electronic Table of Contents (United Kingdom)

A series of desilicated ZSM-5 catalysts previously shown to have improved catalytic performance in the MTG (methanol-to-gasoline) reaction [M. Bjorgen, F. Joensen, M.S. Holm, U. Olsbye, K.-P. Lillerud, S. Svelle, Appl. Catal. A 345 (2008) 43] was subjected to thorough examination using FTIR. Clearly, defects represented by internal Si-OH sites are removed upon NaOH treatment. In a parallel manner, free Si-OH sites increase in concentration and the results point to a selective mechanism for formation of mesopores as the framework dissolution preferentially takes place at defective sites in the crystallites. The acid properties of the desilicated materials were investigated by applying CO and collidine (2,4,6-trimethylpyridine) as molecular probes. Monitoring the induced frequency shifts upo...

2009-01-01

497

Algebraic Topology Foundations of Supersymmetry and Symmetry Breaking in Quantum Field Theory and Quantum Gravity: A Review  

CERN Document Server

A novel algebraic topology approach to supersymmetry (SUSY) and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier transforms, generalized ...

2009-01-01

498

Active hydrogen by chemical ionization mass spectrometry.  

Science.gov (United States)

A means of determination of a ctive hydrogen of hydroxyl, carboxyl, sulfhydryl, amino, amido and sulfonamido groups by chemical ionization mass spectrometry using ammonia and trideuterioammonia as reagent gases is described. The method is based on exchange of active hydrogen for deuterium occurring during the chemical ionization process using trideuterioammonia, with comparison of m/z for ammonium adduct [M + NH1]+ and trideuterioammonium adduct [M--nH + nD + ND4]+, or of protonated molecular ion [M + H]+ and deuteronated molecular ion [M--nH + nD + D]+ yielding the number of active hydrogens. Applications have been made to several classes of biologically important compounds. PMID:427257

1979-01-01

499

A mechanistic understanding of production instability in CHO cell lines expressing recombinant monoclonal antibodies  

British Library Electronic Table of Contents (United Kingdom)

Abstract One of the most significant problems in industrial bioprocessing of recombinant proteins using engineered mammalian cells is the phenomenon of cell line instability, where a production cell line suffers a loss of specific productivity (qP). This phenomenon occurs with unpredictable kinetics and has been widely observed in Chinese hamster ovary (CHO) cell lines and with all commonly used gene expression systems. The underlying causes (both genetic and physiological) and the precise molecular mechanisms underpinning cell line instability have yet to be fully elucidated, although recombinant gene silencing and loss of recombinant gene copies have been shown to cause qP loss. In this work we have investigated the molecular mechanisms underpinning qP instability over long-term sub-cult...

2011-01-01

500

1. 55 [mu]m buried ridge stripe laser diodes grown by gas source molecular beam epitaxy  

Energy Technology Data Exchange (ETDEWEB)

Buried ridge stripe lasers have been grown on InP in two steps by gas source molecular beam epitaxy. The active structure consists of a compressively strained layer multi quantum well with an equivalent wavelength emission at 1.5 [mu]m. The stripe was defined by reactive ion etching. A threshold current of 22 mA was reproducibly obtained on a laser length of 500 [mu]m. A CW output power of 48 mW per facet was achieved. In addition, preliminary accelerated aging tests have shown the high reliability the structure. (orig.)

1993-02-01