Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: stability and optical properties from ab initio calculations

The stability, electronic and optical properties of single-walled carbon nanotubes (CNTs) and graphene noncovalently functionalized with free-base tetraphenylporphyrin (TPP) molecules is addressed by density functional theory calculations, including corrections to dispersive interactions. We study the TPP physisorption on 42 CNT species, particularly those with chiral indices (n,m), where 5≤n≤12 and 0≤m≤n. Our results show a quite strong π-π interaction between TPP and the CNT surface, with binding energies ranging from 1.1 to 1.8 eV, where higher energies can be associated with increasing CNT diameters. We also find that the TPP optical absorptions would not be affected by the CNT diameter or chirality. Results for the TPP physisorption on graphene show a remarkable stability with binding energy of 3.2 eV, inducing a small redshift on the π-stacked TPP absorption bands. The strong graphene-TPP interaction also induces a charge transfer from TPP to graphene, indicating a n-type doping mechanism without compromising the graphene structure

A model for microinstability destabilization and enhanced transport in the presence of shielded 3-D magnetic perturbations

A mechanism is presented that suggests shielded 3-D magnetic perturbations can destabilize microinstabilities and enhance the associated anomalous transport. Using local 3-D equilibrium theory, shaped tokamak equilibria with small 3-D deformations are constructed. In the vicinity of rational magnetic surfaces, the infinite-n ideal MHD ballooning stability boundary is strongly perturbed by the 3-D modulations of the local magnetic shear associated with the presence of nearresonant Pfirsch-Schluter currents. These currents are driven by 3-D components of the magnetic field spectrum even when there is no resonant radial component. The infinite-n ideal ballooning stability boundary is often used as a proxy for the onset of virulent kinetic ballooning modes (KBM) and associated stiff transport. These results suggest that the achievable pressure gradient may be lowered in the vicinity of low order rational surfaces when 3-D magnetic perturbations are applied. This mechanism may provide an explanation for the observed reduction in the peak pressure gradient at the top of the edge pedestal during experiments where edge localized modes have been completely suppressed by applied 3-D magnetic fields

Aspects of Higher Order Gravity and Holography

Some thermodynamical properties of Lovelock gravity are discussed in several space-time dimensions, the holographic principle being one of the ingredients of the discussion. As it turns out, the area law and the brickwall method, though correct for the Einstein-Hilbert theory, may fail to work in general.Comment: 15 page

Biotic indicators for ecological state change in Amazonian floodplains

Riverine floodplains are biologically diverse and productive ecosystems. Although tropical floodplains remain relatively conserved and ecologically functional compared to those at higher latitudes, they face accelerated hydropower development, climate change, and deforestation. Alterations to the flood pulse could act synergistically with other drivers of change to promote profound ecological state change at a large spatial scale. State change occurs when an ecosystem reaches a critical threshold or tipping point, which leads to an alternative qualitative state for the ecosystem. Visualizing an alternative state for Amazonian floodplains is not straightforward. Yet, it is critical to recognize that changes to the flood pulse could push tropical floodplain ecosystems over a tipping point with cascading adverse effects on biodiversity and ecosystem services. We characterize the Amazonian flood pulse regime, summarize evidence of flood pulse change, assess potential ecological repercussions, and provide a monitoring framework for tracking flood pulse change and detecting biotic responses

Moir\'e patterns on STM images of graphite from surface and subsurface rotated layer

We have observed with STM moir\'e patterns corresponding to the rotation of one graphene layer on HOPG surface. The moir\'e patterns were characterized by rotation angle and extension in the plane. Additionally, by identifying border domains and defects we can discriminate between moir\'e patterns due to rotation on the surface or subsurface layer. For a better understanding of moir\'e patterns formation we have studied by first principles an array of three graphene layers where the top or the middle layer appears rotated around the stacking axis. We compare the experimental and theoretical results and we show the strong influence of rotations both in surface and subsurface layers for moir\'e patterns formation in corresponding STM images.Comment: 5 pages, 6 figure

Comportamiento frente a diferentes condiciones físico químicas presentes de procesamiento de los alimentos de Escherichia coli productor de toxina Shiga (STEC) serotipo O157:H7

Escherichia coli productor de toxina Shiga (STEC) serotipo O157:H7 es un patógeno de transmisión alimentaria endémico en la Argentina, responsable principal del Síndrome Urémico Hemolítico. Algunas de sus cepas se consideran hipervirulentas (clado 8). Su capacidad de supervivencia en el ambiente, muchas veces incrementada por la producción de biofilm y su baja dosis infectiva representan un problema en la producción e industrialización de los alimentos. Los objetivos del presente estudio fueron evaluar la resistencia y el daño metabólico de 52 cepas de STEC O157:H7 del clado 8 y clados 4/5, frente a pH ácidos (RA), presión osmótica alta y baja (PO), ciclos de congelación y descongelación sucesivos (CCD), almacenamiento congelado (RC), inanición celular (IC) y presencia de antibióticos (PA). Se obtuvieron y cuantificaron inóculos en fase estacionaria (109 células/ml) y se expusieron al medio TSB con pH 2,5 y 3.5; al medio TSB con 20% de NaCl; a solución de NaCl 0,85%, a agua destilada, a CCD sucesivos, a almacenamiento a -18°C y a PA. Los tiempos de exposición fueron: 0, 2, 6, 8 y 12h para RA y PO, hasta 12 meses en ambiente congelado y hasta 7 días para el resto de las condiciones. Las cepas expuestas a IC se evaluaron hasta 30 días. Luego se cuantificaron las células viables en dos medios de cultivo y se calcularon los tiempos de reducción decimal (valor D) y la proporción de células injuriadas. El 100% de las cepas resultó RA y sensibles a PA. En las demás condiciones se presentaron diferentes comportamientos según cepa y factor. Se observa que las cepas del clado 8 son significativamente más resistentes al estrés ácido que las del clado 4/5 (p < 0.05). No se observaron diferencias significativas en las resistencias de las cepas de ambos clados al estrés osmótico, por inanición y a los CCD. El daño metabólico varió según el tiempo de contacto y el factor. Se concluye que las cepas de E. coli O157:H7 presentes en el ambiente exhiben distintos grados de resistencia y que es necesario conocer su magnitud para poder delinear métodos de conservación eficaces

A lattice model for the kinetics of rupture of fluid bilayer membranes

We have constructed a model for the kinetics of rupture of membranes under tension, applying physical principles relevant to lipid bilayers held together by hydrophobic interactions. The membrane is characterized by the bulk compressibility (for expansion), the thickness of the hydrophobic part of the bilayer, the hydrophobicity and a parameter characterizing the tail rigidity of the lipids. The model is a lattice model which incorporates strain relaxation, and considers the nucleation of pores at constant area, constant temperature, and constant particle number. The particle number is conserved by allowing multiple occupancy of the sites. An equilibrium ``phase diagram'' is constructed as a function of temperature and strain with the total pore surface and distribution as the order parameters. A first order rupture line is found with increasing tension, and a continuous increase in proto-pore concentration with rising temperature till instability. The model explains current results on saturated and unsaturated PC lipid bilayers and thicker artificial bilayers made of diblock copolymers. Pore size distributions are presented for various values of area expansion and temperature, and the fractal dimension of the pore edge is evaluated.Comment: 15 pages, 8 figure

Three-dimensional black holes, gravitational solitons, kinks and wormholes for BHT massive gravity

The theory of massive gravity in three dimensions recently proposed by Bergshoeff, Hohm and Townsend (BHT) is considered. At the special case when the theory admits a unique maximally symmetric solution, a conformally flat space that contains black holes and gravitational solitons for any value of the cosmological constant is found. For negative cosmological constant, the black hole is characterized in terms of the mass and the "gravitational hair" parameter, providing a lower bound for the mass. For negative mass parameter, the black hole acquires an inner horizon, and the entropy vanishes at the extremal case. Gravitational solitons and kinks, being regular everywhere, are obtained from a double Wick rotation of the black hole. A wormhole solution in vacuum that interpolates between two static universes of negative spatial curvature is obtained as a limiting case of the gravitational soliton with a suitable identification. The black hole and the gravitational soliton fit within a set of relaxed asymptotically AdS conditions as compared with the ones of Brown and Henneaux. In the case of positive cosmological constant the black hole possesses an event and a cosmological horizon, whose mass is bounded from above. Remarkably, the temperatures of the event and the cosmological horizons coincide, and at the extremal case one obtains the analogue of the Nariai solution, $dS_{2}\times S^{1}$. A gravitational soliton is also obtained through a double Wick rotation of the black hole. The Euclidean continuation of these solutions describes instantons with vanishing Euclidean action. For vanishing cosmological constant the black hole and the gravitational soliton are asymptotically locally flat spacetimes. The rotating solutions can be obtained by boosting the previous ones in the $t-\phi$ plane.Comment: Talk given at the "Workshop on Gravity in Three Dimensions," 14-24 April 2009, ESI, Vienna. 30 pages, 6 figures. V2: minor changes and section 6 slightly improved. Last version for JHE

Mutations in the mitochondrial complex I assembly factor NDUFAF6 cause isolated bilateral striatal necrosis and progressive dystonia in childhood

Aim: To perform a deep phenotype characterisation in a pedigree of 3 siblings with Leigh syndrome and compound heterozygous NDUFAF6 mutations. Method: A multi-gene panel of childhood-onset basal ganglia neurodegeneration inherited conditions was analysed followed by functional studies in fibroblasts. Results: Three siblings developed gait dystonia in infancy followed by rapid progression to generalised dystonia and psychomotor regression. Brain magnetic resonance showed symmetric and bilateral cytotoxic lesions in the putamen and proliferation of the lenticular-striate arteries, latter spreading to the caudate and progressing to cavitation and volume loss. We identified a frameshift novel change (c.554_558delTTCTT; p.Tyr187AsnfsTer65) and a pathogenic missense change (c.371T>C; p.Ile124Thr) in the NDUFAF6 gene, which segregated with an autosomal recessive inheritance within the family. Patient mutations were associated with the absence of the NDUFAF6 protein and reduced activity and assembly of mature complex I in fibroblasts. By functional complementation assay, the mutant phenotype was rescued by the canonical version of the NDUFAF6. A literature review of 14 NDUFAF6 patients showed a consistent phenotype of an early childhood insidious onset neurological regression with prominent dystonia associated with basal ganglia degeneration and long survival. Interpretation: NDUFAF6-related Leigh syndrome is a relevant cause of childhood onset dystonia and isolated bilateral striatal necrosis. By genetic complementation, we could demonstrate the pathogenicity of novel genetic variants in NDUFAF6