Spinpolarisierte Rastertunnelmikroskopie magnetischer Nanostrukturen am Beispiel von bcc-Co/Fe(110), Fe/Mo(110) und Kupfer-Phthalocyanin/Fe(110)

In dieser Arbeit werden, nach einer Einführung in die spinpolarisierte Rastertunnelmikroskopie und -spektroskopie als experimentelle Methode zur Untersuchung magnetischer Nanostrukturen, Ergebnisse zur spinpolarisierten elektronischen Struktur in Abhängigkeit von der Kristallstruktur am Beispiel ultradünner Co-Schichten sowie in Abhängigkeit von der Magnetisierungsrichtung für ultradünne Fe-Schichten vorgestellt. Hochaufgelöste Messungen zeigen die ortsabhängige Spinpolarisation auf einem einzelnen Kupfer-Phthalocyanin Molekül. rnrnKobalt wurde durch pseudomorphes Wachstum auf den (110)-Oberflächen der kubisch raumzentrierten Metalle Chrom und Eisen deponiert. Im Unterschied zu früheren Berichten in der Literatur lassen sich nur zwei Lagen Co in der kubisch raumzentrierten (bcc) Ordnung stabilisieren. Die bcc-Co Schichten auf der Fe(110)-Oberfläche zeigen keine Anzeichen von epitaktischen Verzerrungen. rnDickere Schichten rekonstruieren in eine dicht gepackte Struktur (hcp/fcc). Durch die bcc Ordnung wird die Spinpolarisation von Kobalt auf P=62% erhöht (hcp-Co: P=45%). rnrnDie temperaturabhängige Spinreorientierung (SRT) ultradünner Filme Fe/Mo(110) wurde mit spinpolarisierter Spektroskopie untersucht. Eine Neuausrichtung der Magnetisierung aus der senkrechten [110]-Achse in die in der Ebene liegenden [001]-Achse wird bei T=(13,2+-0,5)K festgestellt, wobei es sich um einen diskontinuierlichen Reorientierungsübergang handelt, d.h. die freie Energie weist innerhalb eines bestimmten Temperaturbereichs gleichzeitig zwei Minima auf. Weiterhin wird in der Mono- und Doppellage Fe/Mo(110 eine Abhängigkeit der elektronischen Struktur von der Ausrichtung der magnetisch leichten Achse und von der Magnetisierung beobachtet. rnrnDie Untersuchung des spinpolarisierten Ladungstransports durch ein Kupfer-Phthalocyanin-Molekül auf der Fe/Mo(110) Oberfläche liefert einen wesentlichen Beitrag zum Verständnis des Spintransports an der Grenzfläche zwischen Metall und organischem Molekül. Die HOMO-LUMO-Energielücke des freien Moleküls wird durch die Wechselwirkung mit der Metalloberfläche mit Grenzflächenzuständen gefüllt. Diese Zustände reduzieren die Spinpolarisation des durch das Molekül fließenden Tunnelstroms durch einen zusätzlichen unpolarisierten Strombeitrag um einen Faktor zwei. Spinpolarisierte hybridisierte Grenzflächenzustände mit größerem Abstand zur Fermi-Energie führen in Abhängigkeit von der Position auf dem Molekül zu weiteren Beiträgen zur effektiven Spinpolarisation. Diese Untersuchungen belegen die Möglichkeit einer effektiven Spininjektion in organische Halbleiter und damit das Potential dieser Materialien für die weitere Entwicklung von Spintronik-Bauteilen.

Kinematics of local and high-z galaxies through 3D modeling of emission-line datacubes

The kinematics is a fundamental tool to infer the dynamical structure of galaxies and to understand their formation and evolution. Spectroscopic observations of gas emission lines are often used to derive rotation curves and velocity dispersions. It is however difficult to disentangle these two quantities in low spatial-resolution data because of beam smearing. In this thesis, we present 3D-Barolo, a new software to derive the gas kinematics of disk galaxies from emission-line data-cubes. The code builds tilted-ring models in the 3D observational space and compares them with the actual data-cubes. 3D-Barolo works with data at a wide range of spatial resolutions without being affected by instrumental biases. We use 3D-Barolo to derive rotation curves and velocity dispersions of several galaxies in both the local and the high-redshift Universe. We run our code on HI observations of nearby galaxies and we compare our results with 2D traditional approaches. We show that a 3D approach to the derivation of the gas kinematics has to be preferred to a 2D approach whenever a galaxy is resolved with less than about 20 elements across the disk. We moreover analyze a sample of galaxies at z~1, observed in the H-alpha line with the KMOS/VLT spectrograph. Our 3D modeling reveals that the kinematics of these high-z systems is comparable to that of local disk galaxies, with steeply-rising rotation curves followed by a flat part and H-alpha velocity dispersions of 15-40 km/s over the whole disks. This evidence suggests that disk galaxies were already fully settled about 7-8 billion years ago. In summary, 3D-Barolo is a powerful and robust tool to separate physical and instrumental effects and to derive a reliable kinematics. The analysis of large samples of galaxies at different redshifts with 3D-Barolo will provide new insights on how galaxies assemble and evolve throughout cosmic time.

Snake venom C-type lectins interacting with platelet receptors. Structure-function relationships and effects on haemostasis

Snake venoms contain components that affect the prey either by neurotoxic or haemorrhagic effects. The latter category affect haemostasis either by inhibiting or activating platelets or coagulation factors. They fall into several types based upon structure and mode of action. A major class is the snake C-type lectins or C-type lectin-like family which shows a typical folding like that in classic C-type lectins such as the selectins and mannose-binding proteins. Those in snake venoms are mostly based on a heterodimeric structure with two subunits alpha and beta, which are often oligomerized to form larger molecules. Simple heterodimeric members of this family have been shown to inhibit platelet functions by binding to GPIb but others activate platelets via the same receptor. Some that act via GPIb do so by inducing von Willebrand factor to bind to it. Another series of snake C-type lectins activate platelets by binding to GPVI while yet another series uses the integrin alpha(2)beta(1) to affect platelet function. The structure of more and more of these C-type lectins have now been, and are being, determined, often together with their ligands, casting light on binding sites and mechanisms. In addition, it is relatively easy to model the structure of the C-type lectins if the primary structure is known. These studies have shown that these proteins are quite a complex group, often with more than one platelet receptor as ligand and although superficially some appear to act as inhibitors, in fact most function by inducing thrombocytopenia by various routes. The relationship between structure and function in this group of venom proteins will be discussed.

Insights into transcription enhancer factor 1 (TEF-1) activity from the solution structure of the TEA domain.

Transcription enhancer factor 1 is essential for cardiac, skeletal, and smooth muscle development and uses its N-terminal TEA domain (TEAD) to bind M-CAT elements. Here, we present the first structure of TEAD and show that it is a three-helix bundle with a homeodomain fold. Structural data reveal how TEAD binds DNA. Using structure-function correlations, we find that the L1 loop is essential for cooperative loading of TEAD molecules on to tandemly duplicated M-CAT sites. Furthermore, using a microarray chip-based assay, we establish that known binding sites of the full-length protein are only a subset of DNA elements recognized by TEAD. Our results provide a model for understanding the regulation of genome-wide gene expression during development by TEA/ATTS family of transcription factors.

Fine structure of synapses on dendritic spines

Camillo Golgi's "Reazione Nera" led to the discovery of dendritic spines, small appendages originating from dendritic shafts. With the advent of electron microscopy (EM) they were identified as sites of synaptic contact. Later it was found that changes in synaptic strength were associated with changes in the shape of dendritic spines. While live-cell imaging was advantageous in monitoring the time course of such changes in spine structure, EM is still the best method for the simultaneous visualization of all cellular components, including actual synaptic contacts, at high resolution. Immunogold labeling for EM reveals the precise localization of molecules in relation to synaptic structures. Previous EM studies of spines and synapses were performed in tissue subjected to aldehyde fixation and dehydration in ethanol, which is associated with protein denaturation and tissue shrinkage. It has remained an issue to what extent fine structural details are preserved when subjecting the tissue to these procedures. In the present review, we report recent studies on the fine structure of spines and synapses using high-pressure freezing (HPF), which avoids protein denaturation by aldehydes and results in an excellent preservation of ultrastructural detail. In these studies, HPF was used to monitor subtle fine-structural changes in spine shape associated with chemically induced long-term potentiation (cLTP) at identified hippocampal mossy fiber synapses. Changes in spine shape result from reorganization of the actin cytoskeleton. We report that cLTP was associated with decreased immunogold labeling for phosphorylated cofilin (p-cofilin), an actin-depolymerizing protein. Phosphorylation of cofilin renders it unable to depolymerize F-actin, which stabilizes the actin cytoskeleton. Decreased levels of p-cofilin, in turn, suggest increased actin turnover, possibly underlying the changes in spine shape associated with cLTP. The findings reviewed here establish HPF as an appropriate method for studying the fine structure and molecular composition of synapses on dendritic spines.

Total biomass of mesoplankton and biomass of Calanus tonsus in the 0-200 m layer at stations in the Southwest Pacific

Structure of mesoplankton and distribution of dissolved ammonia in the vicinity of an isolated seamount of the Louisville Ridge in the subantarctic zone of the Pacific Ocean was studied using data obtained in January 1985 in an area 20 x 30 nm. There were areas with both high (20-25 to 139 g/m**2 in the 0-200 m layer) and low biomass values (<10 g/m**2) of mesoplankton. In the areas with high biomass, a single species Calanus tonsus was strongly dominant (>80% of biomass); its population was relatively mature in seasonal terms, with relatively high percentage of individuals containing fat inclusions. Stations with high mesoplankton biomass also had relatively high concentrations of dissolved ammonia. Presence of plankton-rich areas corre¬lated with presence of a quasi-steady-state topographic eddy. Lifetimes of these nonuniformities in the structure of mesoplankton are estimated as 10-30 days.

Phytostabilization of metals in mine soils using Brassica juncea in combination with organic amendments

Background and aims The high metal bioavailability and the poor conditions of mine soils yield a low plant biomass, limiting the application of phytoremediation techniques. A greenhouse experiment was performed to evaluate the effects of organic amendments on metal stabilization and the potential of Brassica juncea L. for phytostabilization in mine soils. Methods Plants were grown in pots filled with soils collected from two mine sites located in Central Spain mixed with 0, 30 and 60 tha?1 of pine bark compost and horse- and sheep-manure compost. Plant biomass and metal concentrations in roots and shoots were measured. Metal bioavailability was assessed using a rhizosphere-based method (rhizo), which consists of a mixture of low-molecular-weight organic acids to simulate root exudates. Results Manure reduced metal concentrations in shoots (10?50 % reduction of Cu and 40?80 % of Zn in comparison with non-amended soils), bioconcentration factor (10?50 % of Cu and 40?80 % of Zn) and metal bioavailability in soil (40?50 % of Cu and 10?30 % of Zn) due to the high pH and the contribution of organic matter. Manure improved soil fertility and was also able to increase plant biomass (5?20 times in shoots and 3?30 times in roots), which resulted in a greater amount of metals removed from soil and accumulated in roots (increase of 2?7 times of Cu and Zn). Plants grown in pine bark treatments and in non-amended soils showed a limited biomass and high metal concentrations in shoots. Conclusions The addition of manure could be effective for the stabilization of metals and for enhancing the phytostabilization ability of B. juncea in mine soils. In this study, this species resulted to be a potential candidate for phytostabilization in combination with manure, differing from previous results, in which B. juncea had been recognized as a phytoextraction plant.

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an 'effective' Hamiltonian including only on-site interactions (Hubbard)? The performance of CI will be checked on small molecules. The electronic structure of azulene and fused azulene will be used to illustrate several aspects of the method. As regards graphene, several questions will be considered: (i) paramagnetic versus antiferromagnetic solutions, (ii) forbidden gap versus dot size, (iii) graphene nano-ribbons, and (iv) optical properties.

Spectroscopic studies of synthetic and natural beidellites: A review

This paper represents an overview of the spectroscopic studies of both synthetic and naturally occurring beidellites performed as part of my research over the past 16 years. It shows that detailed information on the local structure of beidellite and changes in this local structure upon heating can be obtained by combining a range of spectroscopic techniques such as mid-infrared, near-infrared, infrared emission, Raman, nuclear magnetic resonance and X-ray photoelectron spectroscopy.

A comparison of the vocational training system of Britain and West Germany as experienced by minimum-age school leavers.

The sectoral and occupational structure of Britain and West Germany has increasingly changed over the last fifty years from a manual manufacturing based to a non-manual service sector based one. There has been a trend towards more managerial and less menial type occupations. Britain employs a higher proportion of its population in the service sector than in manufacturing compared to West Germany, except in retailing, where West Germany employs twice as many people as Britain. This is a stable sector of the economy in terms of employment, but the requirements of the workforce have changed in line with changes in the industry in both countries. School leavers in the two countries, faced with the same options (FE, training schemes or employment) have opted for the various options in different proportions: young Germans are staying longer in education before embarking on training and young Britons are now less likely to go straight into employment than ten years ago. Training is becoming more accepted as the normal route into employment with government policy leading the way, but public opinion still slow to respond. This study investigates how vocational training has adapted to the changing requirements of industry, often determined by technological advancements. In some areas e.g. manufacturing industry the changes have been radical, in others such as retailing they have not, but skill requirements, not necessarily influenced by technology have changed. Social-communicative skills, frequently not even considered skills and therefore not included in training are coming to the forefront. Vocational training has adapted differently in the two countries: in West Germany on the basis of an established over-defined system and in Britain on the basis of an out-dated ill-defined and almost non-existent system. In retailing German school leavers opt for two or three year apprenticeships whereas British school leavers are offered employment with or without formalised training. The publicly held view of the occupation of sales assistant is one of low-level skill, low intellectual demands and a job anyone can do. The traditional skills - product knowledge, selling and social-communicative skills have steadily been eroded. In the last five years retailers have recognised that a return to customer service, utilising the traditional skills was going to be needed of their staff to remain competitive. This requires training. The German retail training system responded by adapting its training regulations in a long consultative process, whereas the British experimented with YTS, a formalised training scheme nationwide being a new departure. The thesis evaluates the changes in these regulations. The case studies in four retail outlets demonstrate that it is indeed product knowledge and selling and social-communicative skills which are fundamental to being a successful and content sales assistant in either country. When the skills are recognised and taught well and systematically the foundations for career development in retailing are laid in a labour market which is continually looking for better qualified workers. Training, when planned and conducted professionally is appreciated by staff and customers and of benefit to the company. In retailing not enough systematic training, to recognisable standards is carried out in Britain, whereas in West Germany the training system is nevertheless better prepared to show innovative potential as a structure and is in place on which to build. In Britain the reputation of the individual company has a greater role to play, not ensuring a national provision of good training in retailing.

A linguistic study of interview and conversation

The present thesis focuses on the overall structure of the language of two types of Speech Exchange Systems (SES) : Interview (INT) and Conversation (CON). The linguistic structure of INT and CON are quantitatively investigated on three different but interrelated levels of analysis : Lexis, Syntax and Information Structure. The corpus of data 1n vest1gated for the project consists of eight sessions of pairs of conversants in carefully planned interviews followed by unplanned, surreptitiously recorded conversational encounters of the same pairs of speakers. The data comprise a total of approximately 15.200 words of INT talk and of about 19.200 words in CON. Taking account of the debatable assumption that the language of SES might be complex on certain linguistic levels (e.g. syntax) (Halliday 1979) and might be simple on others (e.g. lexis) in comparison to written discourse, the thesis sets out to investigate this complexity using a statistical approach to the computation of the structures recurrent in the language of INT and CON. The findings indicate clearly the presence of linguistic complexity in both types. They also show the language of INT to be slightly more syntactically and lexically complex than that of CON. Lexical density seems to be relatively high in both types of spoken discourse. The language of INT seems to be more complex than that of CON on the level of information structure too. This is manifested in the greater use of Inferable and other linguistically complex entities of discourse. Halliday's suggestion that the language of SES is syntactically complex is confirmed but not the one that the more casual the conversation is the more syntactically complex it becomes. The results of the analysis point to the general conclusion that the linguistic complexity of types of SES is not only in the high recurrence of syntactic structures, but also in the combination of these features with each other and with other linguistic and extralinguistic features. The linguistic analysis of the language of SES can be useful in understanding and pinpointing the intricacies of spoken discourse in general and will help discourse analysts and applied linguists in exploiting it both for theoretical and pedagogical purposes.

Common Scientific Lexicon for Automatic Discourse Analysis of Scientific and Technical Texts

The paper reports on preliminary results of an ongoing research aiming at development of an automatic procedure for recognition of discourse-compositional structure of scientific and technical texts, which is required in many NLP applications. The procedure exploits as discourse markers various domain-independent words and expressions that are specific for scientific and technical texts and organize scientific discourse. The paper discusses features of scientific discourse and common scientific lexicon comprising such words and expressions. Methodological issues of development of a computer dictionary for common scientific lexicon are concerned; basic principles of its organization are described as well. Main steps of the discourse-analyzing procedure based on the dictionary and surface syntactical analysis are pointed out.

Quadratic Time Computable Instances of MaxMin and MinMax Area Triangulations of Convex Polygons

We consider the problems of finding two optimal triangulations of a convex polygon: MaxMin area and MinMax area. These are the triangulations that maximize the area of the smallest area triangle in a triangulation, and respectively minimize the area of the largest area triangle in a triangulation, over all possible triangulations. The problem was originally solved by Klincsek by dynamic programming in cubic time [2]. Later, Keil and Vassilev devised an algorithm that runs in O(n^2 log n) time [1]. In this paper we describe new geometric findings on the structure of MaxMin and MinMax Area triangulations of convex polygons in two dimensions and their algorithmic implications. We improve the algorithm’s running time to quadratic for large classes of convex polygons. We also present experimental results on MaxMin area triangulation.

Ordering induced by chemical, thermal and mechanical constraints at solid interfaces

We know that classical thermodynamics even out of equilibrium always leads to stable situation which means degradation and consequently d sorder. Many experimental evidences in different fields show that gradation and order (symmetry breaking) during time and space evolution may appear when maintaining the system far from equilibrium. Order through fluctuations, stochastic processes which occur around critical points and dissipative structures are the fundamental background of the Prigogine-Glansdorff and Nicolis theory. The thermodynamics of macroscopic fluctuations to stochastic approach as well as the kinetic deterministic laws allow a better understanding of the peculiar fascinating behavior of organized matter. The reason for the occurence of this situation is directly related to intrinsic non linearities of the different mechanisms responsible for the evolution of the system. Moreover, when dealing with interfaces separating two immiscible phases (liquid - gas, liquid -liquid, liquid - solid, solid - solid), the situation is rather more complicated. Indeed coupling terms playing the major role in the conditions of instability arise from the peculiar singular static and dynamic properties of the surface and of its vicinity. In other words, the non linearities are not only intrinsic to classical steps involving feedbacks, but they may be imbedded with the non-autonomous character of the surface properties. In order to illustrate our goal we discuss three examples of ordering in far from equilibrium conditions: i) formation of chemical structures during the oxidation of metals and alloys; ii) formation of mechanical structures during the oxidation of metals iii) formation of patterns at a solid-liquid moving interface due to supercooling condition in a melt of alloy. © 1984, Walter de Gruyter. All rights reserved.

STRAINING ENGINEERING OF GRAPHENE AND GRAPHENE-BASED NANOSTRUCTURES

Graphene has emerged as an extraordinary material with its capability to accommodate an array of remarkable electronic, mechanical and chemical properties. Extra-large surface-to-volume ratio renders graphene a highly flexible morphology, giving rise to intriguing observations such as ripples, wrinkles and folds as well as the potential to transform into other novel carbon nanostructures. Ultra-thin, mechanically tough, electrically conductive graphene films promise to enable a wealth of possible applications ranging from hydrogen storage scaffolds, electronic transistors, to bottom-up material designs. Enthusiasm for graphene-based applications aside, there are still significant challenges to their realization, largely due to the difficulty of precisely controlling the graphene properties. Controlling the graphene morphology over large areas is crucial in enabling future graphene-based applications and material design. This dissertation aims to shed lights on potential mechanisms to actively manipulate the graphene morphology and properties and therefore enable the material design principle that delivers desirable mechanical and electronic functionalities of graphene and its derivatives.