Experimental validation of a fracture model for pearlitic steel bars based on the cohesive zone model

Congreso internacional celebrado en Praga sobre modelos numéricos de fractura en el campo de la ciencia de materiales y estructuras.

Grain size gradient length scale in ballistic properties optimization of functionally graded nanocrystalline steel plates

The last few years have highlighted the existence of two relevant length scales in the quest to ultrahigh-strength polycrystalline metals. Whereas the microstructural length scale – e.g. grain or twin size – has mainly be linked to the well-established Hall–Petch relationship, the sample length scale – e.g. nanopillar size – has also proven to be at least as relevant, especially in microscale structures. In this letter, a series of ballistic tests on functionally graded nanocrystalline plates are used as a basis for the justification of a “grain size gradient length scale” as an additional ballistic properties optimization parameter.

Experimental validation of a fracture model for pearlitic steel bars based on the cohesive zone model

Steel is, together with concrete, the most widely used material in civil engineering works. Not only its high strength, but also its ductility is of special interest, since it allows for more energy to be stored before failure. A better understanding of the material behaviour before failure may lead to better structural safety strategies.

Flamelet structures in spray ignition

In typical liquid-fueled burners the fuel is injected as a high-velocity liquid jet that breaks up to form the spray. The initial heating and vaporization of the liquid fuel rely on the relatively large temperatures of the sourrounding gas, which may include hot combustion products and preheated air. The heat exchange between the liquid and the gas phases is enhanced by droplet dispersion arising from the turbulent motion. Chemical reaction takes place once molecular mixing between the fuel vapor and the oxidizer has occurred in mixing layers separating the spray flow from the hot air stream. Since in most applications the injection velocities are much larger than the premixed-flame propagation velocity, combustion stabilization relies on autoignition of the fuel-oxygen mixture, with the combustion stand-off distance being controlled by the interaction of turbulent transport, droplet heating and vaporization, and gas-phase chemical reactions. In this study, conditions are identified under which analyses of laminar flamelets canshed light on aspects of turbulent spray ignition. This study extends earlier fundamental work by Liñan & Crespo (1976) on ignition in gaseous mixing layers to ignition of sprays. Studies of laminar mixing layers have been found to be instrumental in developing un-derstanding of turbulent combustion (Peters 2000), including the ignition of turbulent gaseous diffusion flames (Mastorakos 2009). For the spray problem at hand, the configuration selected, shown in Figure 1, involves a coflow mixing layer formed between a stream of hot air moving at velocity UA and a monodisperse spray moving at velocity USUA. The boundary-layer approximation will be used below to describe the resulting sl ender flow, which exhibits different igniting behaviors depending on the characteristics of t he fuel. In this approximation, consideration of the case U A = U S enables laminar ignition distances to be related to ignition times of unstrained spray flamelets, thereby pro viding quantitative information of direct applicability in regions of low scala r dissipation-rate in turbulent reactive flows (see the discussion in pp. 181–186 of Peters (2000)) . This report is organized as follows. Effects of droplet dispersion dynamics on ignition of sprays in turbulent mixing layers are discussed in Section 2. The formulation f or ignition in laminar mixing layers is outlined in Sections 3 and 4. The results are presented in Section 5. In Section 6, the mixture-fraction field and associated scalar dissipat ion rates for spray ignition are discussed. Finally, some brief conclusions are drawn in Section 7.

Effects of hydrogen assisted stress corrosion on damage tolerance of a high-strength duplex stainless steel wire for prestressing concrete

The study brings new insights on the hydrogen assisted stress corrosion on damage tolerance of a high-strength duplex stainless steel wire which concerns its potential use as active reinforcement for concrete prestressing. The adopted procedure was to experimentally state the effect of hydrogen on the damage tolerance of cylindrical smooth and precracked wire specimens exposed to stress corrosion cracking using the aggressive medium of the standard test developed by FIP (International Prestressing Federation). Stress corrosion testing, mechanical fracture tests and scanning electron microscopy analysis allowed the damage assessment, and explain the synergy between mechanical loading and environment action on the failure sequence of the wire. In presence of previous damage, hydrogen affects the wire behavior in a qualitative sense, consistently to the fracture anisotropy attributable to cold drawing, but it does not produce quantitative changes since the steel fully preserves its damage tolerance.

Numerical methods in Nonlinear Analysis of shell structures

The design of shell and spatial structures represents an important challenge even with the use of the modern computer technology.If we concentrate in the concrete shell structures many problems must be faced,such as the conceptual and structural disposition, optimal shape design, analysis, construction methods, details etc. and all these problems are interconnected among them. As an example the shape optimization requires the use of several disciplines like structural analysis, sensitivity analysis, optimization strategies and geometrical design concepts. Similar comments can be applied to other space structures such as steel trusses with single or double shape and tension structures. In relation to the analysis the Finite Element Method appears to be the most extended and versatile technique used in the practice. In the application of this method several issues arise. First the derivation of the pertinent shell theory or alternatively the degenerated 3-D solid approach should be chosen. According to the previous election the suitable FE model has to be adopted i.e. the displacement,stress or mixed formulated element. The good behavior of the shell structures under dead loads that are carried out towards the supports by mainly compressive stresses is impaired by the high imperfection sensitivity usually exhibited by these structures. This last effect is important particularly if large deformation and material nonlinearities of the shell may interact unfavorably, as can be the case for thin reinforced shells. In this respect the study of the stability of the shell represents a compulsory step in the analysis. Therefore there are currently very active fields of research such as the different descriptions of consistent nonlinear shell models given by Simo, Fox and Rifai, Mantzenmiller and Buchter and Ramm among others, the consistent formulation of efficient tangent stiffness as the one presented by Ortiz and Schweizerhof and Wringgers, with application to concrete shells exhibiting creep behavior given by Scordelis and coworkers; and finally the development of numerical techniques needed to trace the nonlinear response of the structure. The objective of this paper is concentrated in the last research aspect i.e. in the presentation of a state-of-the-art on the existing solution techniques for nonlinear analysis of structures. In this presentation the following excellent reviews on this subject will be mainly used.

Self assembled and ordered group III nitride nanocolumnar structures for light emitting applications

El objetivo de este trabajo es un estudio profundo del crecimiento selectivo de nanoestructuras de InGaN por epitaxia de haces moleculares asistido por plasma, concentrandose en el potencial de estas estructuras como bloques constituyentes en LEDs de nueva generación. Varias aproximaciones al problema son discutidas; desde estructuras axiales InGaN/GaN, a estructuras core-shell, o nanoestructuras crecidas en sustratos con orientaciones menos convencionales (semi polar y no polar). La primera sección revisa los aspectos básicos del crecimiento auto-ensamblado de nanocolumnas de GaN en sustratos de Si(111). Su morfología y propiedades ópticas son comparadas con las de capas compactas de GaN sobre Si(111). En el caso de las columnas auto-ensambladas de InGaN sobre Si(111), se presentan resultados sobre el efecto de la temperatura de crecimiento en la incorporación de In. Por último, se discute la inclusión de nanodiscos de InGaN en las nanocolumnas de GaN. La segunda sección revisa los mecanismos básicos del crecimiento ordenado de nanoestructuras basadas en GaN, sobre templates de GaN/zafiro. Aumentando la relación III/V localmente, se observan cambios morfológicos; desde islas piramidales, a nanocolumnas de GaN terminadas en planos semipolares, y finalmente, a nanocolumnas finalizadas en planos c polares. Al crecer nanodiscos de InGaN insertados en las nanocolumnas de GaN, las diferentes morfologias mencionadas dan lugar a diferentes propiedades ópticas de los nanodiscos, debido al diferente carácter (semi polar o polar) de los planos cristalinos involucrados. La tercera sección recoge experimentos acerca de los efectos que la temperatura de crecimiento y la razón In/Ga tienen en la morfología y emisión de nanocolumnas ordenadas de InGaN crecidas sobre templates GaN/zafiro. En el rango de temperaturas entre 650 y 750 C, la incorporacion de In puede modificarse bien por la temperatura de crecimiento, o por la razón In/Ga. Controlar estos factores permite la optimización de la longitud de onda de emisión de las nanocolumnas de InGaN. En el caso particular de la generación de luz blanca, se han seguidos dos aproximaciones. En la primera, se obtiene emisión amarilla-blanca a temperatura ambiente de nanoestructuras donde la región de InGaN consiste en un gradiente de composiciones de In, que se ha obtenido a partir de un gradiente de temperatura durante el crecimiento. En la segunda, el apilamiento de segmentos emitiendo en azul, verde y rojo, consiguiendo la integración monolítica de estas estructuras en cada una de las nanocolumnas individuales, da lugar a emisores ordenados con un amplio espectro de emisión. En esta última aproximación, la forma espectral puede controlarse con la longitud (duración del crecimiento) de cada uno de los segmentos de InGaN. Más adelante, se presenta el crecimiento ordenado, por epitaxia de haces moleculares, de arrays de nanocolumnas que son diodos InGaN/GaN cada una de ellas, emitiendo en azul (441 nm), verde (502 nm) y amarillo (568 nm). La zona activa del dispositivo consiste en una sección de InGaN, de composición constante nominalmente y longitud entre 250 y 500 nm, y libre de defectos extendidos en contraste con capas compactas de InGaN de similares composiciones y espesores. Los espectros de electroluminiscencia muestran un muy pequeño desplazamiento al azul al aumentar la corriente inyectada (desplazamiento casi inexistente en el caso del dispositivo amarillo), y emisiones ligeramente más anchas que en el caso del estado del arte en pozos cuánticos de InGaN. A continuación, se presenta y discute el crecimiento ordenado de nanocolumnas de In(Ga)N/GaN en sustratos de Si(111). Nanocolumnas ordenadas emitiendo desde el ultravioleta (3.2 eV) al infrarrojo (0.78 eV) se crecieron sobre sustratos de Si(111) utilizando una capa compacta (“buffer”) de GaN. La morfología y eficiencia de emisión de las nanocolumnas emitiendo en el rango espectral verde pueden ser mejoradas ajustando las relaciones In/Ga y III/N, y una eficiencia cuántica interna del 30% se deriva de las medidas de fotoluminiscencia en nanocolumnas optimizadas. En la siguiente sección de este trabajo se presenta en detalle el mecanismo tras el crecimiento ordenado de nanocolumnas de InGaN/GaN emitiendo en el verde, y sus propiedades ópticas. Nanocolumnas de InGaN/GaN con secciones largas de InGaN (330-830 nm) se crecieron tanto en sustratos GaN/zafiro como GaN/Si(111). Se encuentra que la morfología y la distribución espacial del In dentro de las nanocolumnas dependen de las relaciones III/N e In/Ga locales en el frente de crecimiento de las nanocolumnas. La dispersión en el contenido de In entre diferentes nanocolumnas dentro de la misma muestra es despreciable, como indica las casi identicas formas espectrales de la catodoluminiscencia de una sola nanocolumna y del conjunto de ellas. Para las nanocolumnas de InGaN/GaN crecidas sobre GaN/Si(111) y emitiendo en el rango espectral verde, la eficiencia cuántica interna aumenta hasta el 30% al disminuir la temperatura de crecimiento y aumentar el nitrógeno activo. Este comportamiento se debe probablemente a la formación de estados altamente localizados, como indica la particular evolución de la energía de fotoluminiscencia con la temperatura (ausencia de “s-shape”) en muestras con una alta eficiencia cuántica interna. Por otro lado, no se ha encontrado la misma dependencia entre condiciones de crecimiento y efiencia cuántica interna en las nanoestructuras InGaN/GaN crecidas en GaN/zafiro, donde la máxima eficiencia encontrada ha sido de 3.7%. Como alternativa a las nanoestructuras axiales de InGaN/GaN, la sección 4 presenta resultados sobre el crecimiento y caracterización de estructuras core-shell de InGaN/GaN, re-crecidas sobre arrays de micropilares de GaN fabricados por ataque de un template GaN/zafiro (aproximación top-down). El crecimiento de InGaN/GaN es conformal, con componentes axiales y radiales en el crecimiento, que dan lugar a la estructuras core-shell con claras facetas hexagonales. El crecimiento radial (shell) se ve confirmado por medidas de catodoluminiscencia con resolución espacial efectuadas en un microscopio electrónico de barrido, asi como por medidas de microscopía de transmisión de electrones. Más adelante, el crecimiento de micro-pilares core-shell de InGaN se realizó en pilares GaN (cores) crecidos selectivamente por epitaxia de metal-orgánicos en fase vapor. Con el crecimiento de InGaN se forman estructuras core-shell con emisión alrededor de 3 eV. Medidas de catodoluminiscencia resuelta espacialmente indican un aumento en el contenido de indio del shell en dirección a la parte superior del pilar, que se manifiesta en un desplazamiento de la emisión de 3.2 eV en la parte inferior, a 3.0 eV en la parte superior del shell. Este desplazamiento está relacionado con variaciones locales de la razón III/V en las facetas laterales. Finalmente, se demuestra la fabricación de una estructura pin basada en estos pilares core-shell. Medidas de electroluminiscencia resuelta espacialmente, realizadas en pilares individuales, confirman que la electroluminiscencia proveniente del shell de InGaN (diodo lateral) está alrededor de 3.0 eV, mientras que la emisión desde la parte superior del pilar (diodo axial) está alrededor de 2.3 eV. Para finalizar, se presentan resultados sobre el crecimiento ordenado de GaN, con y sin inserciones de InGaN, en templates semi polares (GaN(11-22)/zafiro) y no polares (GaN(11-20)/zafiro). Tras el crecimiento ordenado, gran parte de los defectos presentes en los templates originales se ven reducidos, manifestándose en una gran mejora de las propiedades ópticas. En el caso de crecimiento selectivo sobre templates con orientación GaN(11-22), no polar, la formación de nanoestructuras con una particular morfología (baja relación entre crecimiento perpedicular frente a paralelo al plano) permite, a partir de la coalescencia de estas nanoestructuras, la fabricación de pseudo-templates no polares de GaN de alta calidad. ABSTRACT The aim of this work is to gain insight into the selective area growth of InGaN nanostructures by plasma assisted molecular beam epitaxy, focusing on their potential as building blocks for next generation LEDs. Several nanocolumn-based approaches such as standard axial InGaN/GaN structures, InGaN/GaN core-shell structures, or InGaN/GaN nanostructures grown on semi- and non-polar substrates are discussed. The first section reviews the basics of the self-assembled growth of GaN nanocolumns on Si(111). Morphology differences and optical properties are compared to those of GaN layer grown directly on Si(111). The effects of the growth temperature on the In incorporation in self-assembled InGaN nanocolumns grown on Si(111) is described. The second section reviews the basic growth mechanisms of selectively grown GaNbased nanostructures on c-plane GaN/sapphire templates. By increasing the local III/V ratio morphological changes from pyramidal islands, to GaN nanocolumns with top semi-polar planes, and further to GaN nanocolumns with top polar c-planes are observed. When growing InGaN nano-disks embedded into the GaN nanocolumns, the different morphologies mentioned lead to different optical properties, due to the semipolar and polar nature of the crystal planes involved. The third section reports on the effect of the growth temperature and In/Ga ratio on the morphology and light emission characteristics of ordered InGaN nanocolumns grown on c-plane GaN/sapphire templates. Within the growth temperature range of 650 to 750oC the In incorporation can be modified either by the growth temperature, or the In/Ga ratio. Control of these factors allows the optimization of the InGaN nanocolumns light emission wavelength. In order to achieve white light emission two approaches are used. First yellow-white light emission can be obtained at room temperature from nanostructures where the InGaN region is composition-graded by using temperature gradients during growth. In a second approach the stacking of red, green and blue emitting segments was used to achieve the monolithic integration of these structures in one single InGaN nanocolumn leading to ordered broad spectrum emitters. With this approach, the spectral shape can be controlled by changing the thickness of the respective InGaN segments. Furthermore the growth of ordered arrays of InGaN/GaN nanocolumnar light emitting diodes by molecular beam epitaxy, emitting in the blue (441 nm), green (502 nm), and yellow (568 nm) spectral range is reported. The device active region, consisting of a nanocolumnar InGaN section of nominally constant composition and 250 to 500 nm length, is free of extended defects, which is in strong contrast to InGaN layers (planar) of similar composition and thickness. Electroluminescence spectra show a very small blue shift with increasing current, (almost negligible in the yellow device) and line widths slightly broader than those of state-of-the-art InGaN quantum wells. Next the selective area growth of In(Ga)N/GaN nanocolumns on Si(111) substrates is discussed. Ordered In(Ga)N/GaN nanocolumns emitting from ultraviolet (3.2 eV) to infrared (0.78 eV) were then grown on top of GaN-buffered Si substrates. The morphology and the emission efficiency of the In(Ga)N/GaN nanocolumns emitting in the green could be substantially improved by tuning the In/Ga and total III/N ratios, where an estimated internal quantum efficiency of 30 % was derived from photoluminescence data. In the next section, this work presents a study on the selective area growth mechanisms of green-emitting InGaN/GaN nanocolumns and their optical properties. InGaN/GaN nanocolumns with long InGaN sections (330-830nm) were grown on GaN/sapphire and GaN-buffered Si(111). The nanocolumn’s morphology and spatial indium distribution is found to depend on the local group (III)/N and In/Ga ratios at the nanocolumn’s top. A negligible spread of the average indium incorporation among different nanostructures is found as indicated by similar shapes of the cathodoluminescence spectra taken from single nanocolumns and ensembles of nanocolumns. For InGaN/GaN nanocolumns grown on GaN-buffered Si(111), all emitting in the green spectral range, the internal quantum efficiency increases up to 30% when decreasing growth temperature and increasing active nitrogen. This behavior is likely due to the formation of highly localized states, as indicated by the absence of a complete s-shape behavior of the PL peak position with temperature (up to room temperature) in samples with high internal quantum efficiency. On the other hand, no dependence of the internal quantum efficiency on the growth conditions is found for InGaN/GaN nanostructures grown on GaN/sapphire, where the maximum achieved efficiency is 3.7%. As alternative to axial InGaN/GaN nanostructures, section 4 reports on the growth and characterization of InGaN/GaN core-shell structures on an ordered array of top-down patterned GaN microrods etched from a GaN/sapphire template. Growth of InGaN/GaN is conformal, with axial and radial growth components leading to core-shell structures with clear hexagonal facets. The radial InGaN growth (shell) is confirmed by spatially resolved cathodoluminescence performed in a scanning electron microscopy as well as in scanning transmission electron microscopy. Furthermore the growth of InGaN core-shell micro pillars using an ordered array of GaN cores grown by metal organic vapor phase epitaxy as a template is demonstrated. Upon InGaN overgrowth core-shell structures with emission at around 3.0 eV are formed. With spatially resolved cathodoluminescence, an increasing In content towards the pillar top is found to be present in the InGaN shell, as indicated by a shift of CL peak position from 3.2 eV at the shell bottom to 3.0 eV at the shell top. This shift is related to variations of the local III/V ratio at the side facets. Further, the successful fabrication of a core-shell pin diode structure is demonstrated. Spatially resolved electroluminescence measurements performed on individual micro LEDs, confirm emission from the InGaN shell (lateral diode) at around 3.0 eV, as well as from the pillar top facet (axial diode) at around 2.3 eV. Finally, this work reports on the selective area growth of GaN, with and without InGaN insertion, on semi-polar (11-22) and non-polar (11-20) templates. Upon SAG the high defect density present in the GaN templates is strongly reduced as indicated by TEM and a dramatic improvement of the optical properties. In case of SAG on non-polar (11-22) templates the formation of nanostructures with a low aspect ratio took place allowing for the fabrication of high-quality, non-polar GaN pseudo-templates by coalescence of the nanostructures.

Protein diagenesis in Patella shells: implications for amino acid racemisation dating

Se analiza la racemización de aminoácidos en proteínas inter e intracristalinas en conchas de Patella y su utilización como herramienta geocronológica, fundamentalmente empleadas en yacimientos arqueológicos.The inter- and intra-crystalline fractions of Patella vulgata limpets recovered from archaeological sites in Northern Spain (covering Neolithic, Mesolithic, Magdalenian, Solutrean, and Aurignacian periods) were examined for amino acid composition and racemisation over time. The calcitic apex and rim areas of the shells were found to probably be composed of similar proteins, as the D/L values and amino acids were comparable and varied in the same way with increasing age; however, the mineral structures present in these areas differed. The aragonitic intermediate part of the shell showed a distinctly different amino acid composition and mineral structure. The main protein leaching from the inter-crystalline fraction occurred within the first 6000 yr after the death of the organism. In contrast, the intra-crystalline fraction — comprised of a different protein composition than the inter-crystalline fraction — appeared to behave as a closed system for at least 34 ka, as reflected by the lack of a significant decrease in the amino acid content; however, changes in the amino acid percentages occurred during this period. The concentration of aspartic acid remained almost constant with age both in inter- and intra-crystalline proteins, and its contribution to the total amino acid content increased with age at the expense of other amino acids such as glutamic acid, serine, glycine and alanine. Temperature is thought to play a key role in the amino acid racemisation of P. vulgata and could explain why in the localities belonging to the Gravettian and Solutrean period, which formed during relatively cold conditions, D/L values were similar to those detected in shells from sites formed during the Magdalenian.

Analysis, reliability and optimization of reinforced concrete 2-D structures

In this paper a consistent analysis of reinforced concrete (RC) two-dimensional (2-D) structures,namely slab structures subjected to in-plane and out-plane forces, is presented. By using this method of analysis the well established methodology for dimensioning and verifying RC sections of beam structures is extended to 2-D structures. The validity of the proposed analysis results is checked by comparing them with some published experimental test results. Several examples show some of these proposed analysis features, such as the influence of the reinforcement layout on the service and ultimate behavior of a slab structure and the non straightforward problem of the optimal dimension at a slab point subjected to several loading cases. Also, in these examples, the method applications to design situations as multiple steel families and non orthogonal reinforcement layout are commented.

Piezoelectric sensing and non-parametric statistical signal processing for health monitoring of hysteretic dampers used in seismic-resistant structures

The paper proposes a new application of non-parametric statistical processing of signals recorded from vibration tests for damage detection and evaluation on I-section steel segments. The steel segments investigated constitute the energy dissipating part of a new type of hysteretic damper that is used for passive control of buildings and civil engineering structures subjected to earthquake-type dynamic loadings. Two I-section steel segments with different levels of damage were instrumented with piezoceramic sensors and subjected to controlled white noise random vibrations. The signals recorded during the tests were processed using two non-parametric methods (the power spectral density method and the frequency response function method) that had never previously been applied to hysteretic dampers. The appropriateness of these methods for quantifying the level of damage on the I-shape steel segments is validated experimentally. Based on the results of the random vibrations, the paper proposes a new index that predicts the level of damage and the proximity of failure of the hysteretic damper

A consistent method of analysis of RC shell structures

In this paper some topics related to the design of reinforced concrete (RC) shells are addressed. The influence of the reinforcement layout on the service and ultimate behavior of the shell structure is commented. The well established methodology for dimensioning and verifying RC sections of beam structures is extended. In this way it is possible to treat within a unified procedure the design and verification of RC two dimensional structures, in particular membrane and shell structures. Realistic design situations as multiple steel farnilies and non orthogonal reinforcement layout can be handled. Finally, some examples and applications of the proposed methodology are presented.

Application of the dynamic models to the detection of imperfections in plate Structures

This paper is part of a set of publications related with the development of mathematical models aimed to simulate the dynamic input and output of experimental nondestructive tests in order to detect structural imperfections. The structures to be considered are composed by steel plates of thin thickness. The imperfections in these cases are cracks and they can penetrate either a significant part of the plate thickness or be micro cracks or superficial imperfections. The first class of cracks is related with structural safety and the second one is more connected to the structural protection to the environment, particularly if protective paintings can be deteriorated. Two mathematical groups of models have been developed. The first group tries to locate the position and extension of the imperfection of the first class of imperfections, i.e. cracks and it is the object of the present paper. Bending Kirchoff thin plate models belong to this first group and they are used to this respect. The another group of models is dealt with membrane structures under the superficial Rayleigh waves excitation. With this group of models the micro cracks detection is intended. In the application of the first group of models to the detection of cracks, it has been observed that the differences between the natural frequencies of the non cracked and the cracked structures are very small. However, geometry and crack position can be identified quite accurately if this comparison is carried out between first derivatives (mode rotations) of the natural modes are used instead. Finally, in relation with the analysis of the superficial crack existence the use of Rayleigh waves is very promising. The geometry and the penetration of the micro crack can be detected very accurately. The mathematical and numerical treatment of the generation of these Rayleigh waves present and a numerical application has been shown.

Polycaps: Reversibly formed polymeric capsules

Described are assemblies consisting of polymeric capsules, “polycaps,” formed from two calix[4]arene tetraureas covalently connected at their lower rims. In these structures self-assembly leads to reversibly formed capsule sites along a chain, reminiscent of beads on a string. Their dynamic behavior is characterized by 1H NMR spectroscopy through encapsulation of guest species, reversible polymerization, and the formation of sharply defined hybrid capsules.

Colocalization of cell division proteins FtsZ and FtsA to cytoskeletal structures in living Escherichia coli cells by using green fluorescent protein

In the current model for bacterial cell division, FtsZ protein forms a ring that marks the division plane, creating a cytoskeletal framework for the subsequent action of other proteins such as FtsA. This putative protein complex ultimately generates the division septum. Herein we report that FtsZ and FtsA proteins tagged with green fluorescent protein (GFP) colocalize to division-site ring-like structures in living bacterial cells in a visible space between the segregated nucleoids. Cells with higher levels of FtsZ–GFP or with FtsA–GFP plus excess wild-type FtsZ were inhibited for cell division and often exhibited bright fluorescent spiral tubules that spanned the length of the filamentous cells. This suggests that FtsZ may switch from a septation-competent localized ring to an unlocalized spiral under some conditions and that FtsA can bind to FtsZ in both conformations. FtsZ–GFP also formed nonproductive but localized aggregates at a higher concentration that could represent FtsZ nucleation sites. The general domain structure of FtsZ–GFP resembles that of tubulin, since the C terminus of FtsZ is not required for polymerization but may regulate polymerization state. The N-terminal portion of Rhizobium FtsZ polymerized in Escherichia coli and appeared to copolymerize with E. coli FtsZ, suggesting a degree of interspecies functional conservation. Analysis of several deletions of FtsA–GFP suggests that multiple segments of FtsA are important for its localization to the FtsZ ring.

NMR structures of three single-residue variants of the human prion protein

The NMR structures of three single-amino acid variants of the C-terminal domain of the human prion protein, hPrP(121–230), are presented. In hPrP(M166V) and hPrP(R220K) the substitution is with the corresponding residue in murine PrP, and in hPrP(S170N) it is with the corresponding Syrian hamster residue. All three substitutions are in the surface region of the structure of the cellular form of PrP (PrPC) that is formed by the C-terminal part of helix 3, with residues 218–230, and a loop of residues 166–172. This molecular region shows high species variability and has been implicated in specific interactions with a so far not further characterized “protein X,” and it is related to the species barrier for transmission of prion diseases. As expected, the three variant hPrP(121–230) structures have the same global architecture as the previously determined wild-type bovine, human, murine, and Syrian hamster prion proteins, but with the present study two localized “conformational markers” could be related with single amino acid exchanges. These are the length and quality of definition of helix 3, and the NMR-observability of the residues in the loop 166–172. Poor definition of the C-terminal part of helix 3 is characteristic for murine PrP and has now been observed also for hPrP(R220K), and NMR observation of the complete loop 166–172 has so far been unique for Syrian hamster PrP and is now also documented for hPrP(S170N).