Symmetry in chemistry from the hydrogen atom to proteins

The last 2 decades have seen discoveries in highly excited states of atoms and molecules of phenomena that are qualitatively different from the “planetary” model of the atom, and the near-rigid model of molecules, characteristic of these systems in their low-energy states. A unified view is emerging in terms of approximate dynamical symmetry principles. Highly excited states of two-electron atoms display “molecular” behavior of a nonrigid linear structure undergoing collective rotation and vibration. Highly excited states of molecules described in the “standard molecular model” display normal mode couplings, which induce bifurcations on the route to molecular chaos. New approaches such as rigid–nonrigid correlation, vibrons, and quantum groups suggest a unified view of collective electronic motion in atoms and nuclear motion in molecules.

A structural basis for a phosphoramide mustard-induced DNA interstrand cross-link at 5'-d(GAC).

Phosphoramide mustard-induced DNA interstrand cross-links were studied both in vitro and by computer simulation. The local determinants for the formation of phosphoramide mustard-induced DNA interstrand cross-links were defined by using different pairs of synthetic oligonucleotide duplexes, each of which contained a single potentially cross-linkable site. Phosphoramide mustard was found to cross-link dG to dG at a 5'-d(GAC)-3'. The structural basis for the formation of this 1,3 cross-link was studied by molecular dynamics and quantum chemistry. Molecular dynamics indicated that the geometrical proximity of the binding sites also favored a 1,3 dG-to-dG linkage over a 1,2 dG-to-dG linkage in a 5'-d(GCC)-3' sequence. While the enthalpies of 1,2 and 1,3 mustard cross-linked DNA were found to be very close, a 1,3 structure was more flexible and may therefore be in a considerably higher entropic state.

Inventario y descripción de los hornos de cal en el agrosistema tradicional de la Finca Buixcarró (P.N. Sierra de Mariola)

Se ha realizado un inventario de los hornos de cal en la Finca Buixcarró, término municipal de Bocairente (Valencia), situada en el Parque Natural de la Sierra de Mariola. Para localizar los hornos, se ha contado con la colaboración del responsable técnico y también se fotointerpretarán mediante la aplicación Google Earth, con tal de encontrar los hornos. Para ello se elaborará una capa de puntos con formato *.kml, posteriormente introduciremos en al GPS, mediante el software (MapSource). Se muestreó la finca en búsqueda de hornos y se georreferenció cada uno de ellos mediante la utilización de un dispositivo GPS, generando un waypoint con su X-Y correspondiente. Una vez georreferenciados los hornos de la finca con formato *.gpx, se elaboró la cartografía correspondiente. Se utilizará GPSBabel y QuantumGis para elaborar la cartografía de los hornos de cal. Se han registrado un total de 24 hornos de cal, de los cuales el 60% presentan un estado de degradación bastante elevado. Se han identificado 20 categorías de usos del suelo, siendo el bosque mixto (Pinus halepensis – Quercus ilex) y el pinar carrasco (Pinus halepensis) las coberturas que mayor superficie ocupan. El inventariado de estas infraestructuras contribuye a la conservación del patrimonio material y cultural de este espacio natural protegido.

Teleportation of continuous-variable polarization states

This paper discusses methods for the optical teleportation of continuous-variable polarization states. We show that using two pairs of entangled beams, generated using four squeezed beams, perfect teleportation of optical polarization states can be performed. Restricting ourselves to three squeezed beams, we demonstrate that polarization state teleportation can still exceed the classical limit. The three-squeezer schemes involve either the use of quantum nondemolition measurement or biased entanglement generated from a single squeezed beam. We analyze the efficacies of these schemes in terms of fidelity, signal transfer coefficients, and quantum correlations.

Braided m-Lie algebras

Braided m-Lie algebras induced by multiplication are introduced, which generalize Lie algebras, Lie color algebras and quantum Lie algebras. The necessary and sufficient conditions for the braided m-Lie algebras to be strict Jacobi braided Lie algebras are given. Two classes of braided m-Lie algebras are given, which are generalized matrix braided m-Lie algebras and braided m-Lie subalgebras of End(F)M, where M is a Yetter-Drinfeld module over B with dimB < infinity. In particular, generalized classical braided m-Lie algebras sl(q,f)(GM(G)(A),F) and osp(q,l)(GM(G)(A),M,F) of generalized matrix algebra GMG(A) are constructed and their connection with special generalized matrix Lie superalgebra sl(s,f)(GM(Z2)(A(s)),F) and orthosymplectic generalized matrix Lie super algebra osp(s,l) (GM(Z2)(A(s)),M-s,F) are established. The relationship between representations of braided m-Lie algebras and their associated algebras are established.

Continuous-variable Einstein-Podolsky-Rosen paradox with traveling-wave second-harmonic generation

The Einstein-Podolsky-Rosen paradox and quantum entanglement are at the heart of quantum mechanics. Here we show that single-pass traveling-wave second-harmonic generation can be used to demonstrate both entanglement and the paradox with continuous variables that are analogous to the position and momentum of the original proposal.

Gymnoascolides A-C: Aromatic butenolides from an Australian isolate of the soil ascomycete Gymnoascus reessii

Three new aromatic butenolides, gymnoascolides A-C (1-3), have been isolated from the Australian soil ascomycete Gymnoascus reessii and assigned structures on the basis of detailed spectroscopic analysis. The absolute configurations of gymnoascolides B (2) and C (3) at C-5 were solved using a combination of chemical derivatization and quantum chemical simulations.

Molecular mixed-valence cyanide bridged Co-III-Fe-II complexes

Cyano-bridged mixed-valence compounds have been known for a long time, i.e., Prussian Blue polymeric solids. Nevertheless, the interest in discrete complexes having a well-defined molecular nuclearity has emerged more recently. There are numerous examples of cyano-bridged mixed-valence complexes in the recent literature, as they show promising and useful applications in electrochromism, molecular magnetism and molecular electronics. In this paper, the reactivity, synthetic and structural chemistry, as well as some physical and chemical properties, of a series of discrete dinuclear mixed-valence cyano-bridged complexes of general formulae [LnCoIII(mu NC)Fe-II(CN)(5)](-) (L = pentadentate macrocyclic ligand) are reviewed. Special emphasis is given to the synthetic strategy, redox properties and metal-to-metal-charge-transfer (MMCT) band energy. Tuning the MMCT transition energy has been possible by changing the redox potential of the metal centers, both through structural and outer-sphere changes. The redox processes that involve the appearance and disappearance of these MMCT bands in the visible region have been dealt with in relation to the possible uses of the complexes. (c) 2004 Elsevier B.V. All rights reserved.

Central elements of the elliptic Zn monodromy matrix algebra at roots of unity

The central elements of the algebra of monodromy matrices associated with the Z(n) R-matrix are studied. When the crossing parameter w takes a special rational value w = n/N, where N and n are positive coprime integers, the center is substantially larger than that in the generic case for which the quantum determinant provides the center. In the trigonometric limit, the situation corresponds to the quantum group at roots of unity. This is a higher rank generalization of the recent results by Belavin and Jimbo. (c) 2004 Elsevier B.V. All rights reserved.

Behaviour of the energy gap in a model of Josephson coupled Bose-Einstein condensates

In this work we investigate the energy gap between the ground state and the first excited state in a model of two single-mode Bose-Einstein condensates coupled via Josephson tunnelling. The ene:rgy gap is never zero when the tunnelling interaction is non-zero. The gap exhibits no local minimum below a threshold coupling which separates a delocalized phase from a self-trapping phase that occurs in the absence of the external potential. Above this threshold point one minimum occurs close to the Josephson regime, and a set of minima and maxima appear in the Fock regime. Expressions for the position of these minima and maxima are obtained. The connection between these minima and maxima and the dynamics for the expectation value of the relative number of particles is analysed in detail. We find that the dynamics of the system changes as the coupling crosses these points.

A simple proof of the strong subadditivity inequality

Arguably the deepest fact known about the von Neumann entropy, the strong subadditivity inequality is a potent hammer in the quantum information theorist's toolkit. This short tutorial describes a simple proof of strong subadditivity due to Petz [Rep. on Math. Phys. 23 (1), 57-65 (1986)]. It assumes only knowledge of elementary linear algebra and quantum mechanics.

All-Raman amplified transmission at 40 Gbit/s in standard single mode fibre

We investigate a 40 Gbit/s all-Raman amplified standard single mode fibre (SMF) transmission system with the mid-range amplifier spacing of 80-90 km. The impact of span configuration on double Rayleigh back scattering (DRBS) was studied. Four different span configurations were compared experimentally. A transmission distance of 1666 km in SMF has been achieved without forward error correcting (FEC) for the first time. The results demonstrate that the detrimental effects associated with high pump power Raman amplification in standard fibre can be minimised by dispersion map optimisation. © 2003 IEEE.

High-power picosecond pulse generation from a gain-switched violet diode laser

Generation of picosecond pulses with a peak power in excess of 7W and a duration of 24ps from a gain-switched InGaN diode laser is demonstrated for the first time.

Tail-free operation of an overdriven gain-switched DFB laser by spectral filtering

The tail-free operation of an overdriven gain-switched distributed feedback (DFB) laser by spectral filtering was demonstrated. The filtering was realized using a mechanically tunable fiber Bragg grating (FBG). The unfiltered and filtered signals were traced by corresponding oscilloscope. The spectral filtering removed the nonlinearly chirped components resulting in the pulse shortening. The results showed unwanted relaxation in the overdriven DFB laser were supressed by using a steep-edge notch filter.