Crystal structure of an H-2Kb-ovalbumin peptide complex reveals the interplay of primary and secondary anchor positions in the major histocompatibility complex binding groove.

Sequence analysis of peptides naturally presented by major histocompatibility complex (MHC) class I molecules has revealed allele-specific motifs in which the peptide length and the residues observed at certain positions are restricted. Nevertheless, peptides containing the standard motif often fail to bind with high affinity or form physiologically stable complexes. Here we present the crystal structure of a well-characterized antigenic peptide from ovalbumin [OVA-8, ovalbumin-(257-264), SIINFEKL] in complex with the murine MHC class I H-2Kb molecule at 2.5-A resolution. Hydrophobic peptide residues Ile-P2 and Phe-P5 are packed closely together into binding pockets B and C, suggesting that the interplay of peptide anchor (P5) and secondary anchor (P2) residues can couple the preferred sequences at these positions. Comparison with the crystal structures of H-2Kb in complex with peptides VSV-8 (RGYVYQGL) and SEV-9 (FAPGNYPAL), where a Tyr residue is used as the C pocket anchor, reveals that the conserved water molecule that binds into the B pocket and mediates hydrogen bonding from the buried anchor hydroxyl group could not be likewise positioned if the P2 side chain were of significant size. Based on this structural evidence, H-2Kb has at least two submotifs: one with Tyr at P5 (or P6 for nonamer peptides) and a small residue at P2 (i.e., Ala or Gly) and another with Phe at P5 and a medium-sized hydrophobic residue at P2 (i.e., Ile). Deciphering of these secondary submotifs from both crystallographic and immunological studies of MHC peptide binding should increase the accuracy of T-cell epitope prediction.

Core lipid structure is a major determinant of the oxidative resistance of low density lipoprotein.

The influence of thermally induced changes in the lipid core structure on the oxidative resistance of discrete, homogeneous low density lipoprotein (LDL) subspecies (d, 1.0297-1.0327 and 1.0327-1.0358 g/ml) has been evaluated. The thermotropic transition of the LDL lipid core at temperatures between 15 degrees C and 37 degrees C, determined by differential scanning calorimetry, exerted significant effects on the kinetics of copper-mediated LDL oxidation expressed in terms of intrinsic antioxidant efficiency (lag time) and diene production rate. Thus, the temperature coefficients of oxidative resistance and maximum oxidation rate showed break points at the core transition temperature. Temperature-induced changes in copper binding were excluded as the molecular basis of such effects, as the saturation of LDL with copper was identical below and above the core transition. At temperatures below the transition, the elevation in lag time indicated a greater resistance to oxidation, reflecting a higher degree of antioxidant protection. This effect can be explained by higher motional constraints and local antioxidant concentrations, the latter resulting from the freezing out of antioxidants from crystalline domains of cholesteryl esters and triglycerides. Below the transition temperature, the conjugated diene production rate was decreased, a finding that correlated positively with the average size of the cooperative units of neutral lipids estimated from the calorimetric transition width. The reduced accessibility and structural hindrance in the cluster organization of the core lipids therefore inhibits peroxidation. Our findings provide evidence for a distinct effect of the dynamic state of the core lipids on the oxidative susceptibility of LDL and are therefore relevant to the atherogenicity of these cholesterol-rich particles.

Understanding the structure of the first atomic contact in gold

We have studied experimentally jump-to-contact (JC) and jump-out-of-contact (JOC) phenomena in gold electrodes. JC can be observed at first contact when two metals approach each other, while JOC occurs in the last contact before breaking. When the indentation depth between the electrodes is limited to a certain value of conductance, a highly reproducible behaviour in the evolution of the conductance can be obtained for hundreds of cycles of formation and rupture. Molecular dynamics simulations of this process show how the two metallic electrodes are shaped into tips of a well-defined crystallographic structure formed through a mechanical annealing mechanism. We report a detailed analysis of the atomic configurations obtained before contact and rupture of these stable structures and obtained their conductance using first-principles quantum transport calculations. These results help us understand the values of conductance obtained experimentally in the JC and JOC phenomena and improve our understanding of atomic-sized contacts and the evolution of their structural characteristics.

Size-Dependent and Step-Modulated Supramolecular Electrochemical Properties of Catechol-Derived Adlayers at Pt(hkl) Surfaces

The electrochemical reactivity of catechol-derived adlayers is reported at platinum (Pt) single-crystal electrodes. Pt(111) and stepped vicinal surfaces are used as model surfaces possessing well-ordered nanometer-sized Pt(111) terraces ranging from 0.4 to 12 nm. The electrochemical experiments were designed to probe how the control of monatomic step-density and of atomic-level step structure can be used to modulate molecule–molecule interactions during self-assembly of aromatic-derived organic monolayers at metallic single-crystal electrode surfaces. A hard sphere model of surfaces and a simplified band formation model are used as a theoretical framework for interpretation of experimental results. The experimental results reveal (i) that supramolecular electrochemical effects may be confined, propagated, or modulated by the choice of atomic level crystallographic features (i.e.monatomic steps), deliberately introduced at metallic substrate surfaces, suggesting (ii) that substrate-defect engineering may be used to tune the macroscopic electronic properties of aromatic molecular adlayers and of smaller molecular aggregates.

Thermal decomposition of the different particles size fractions of almond shells and olive stones. Thermal behaviour changes due to the milling processes

The aim of this study is to investigate the effect of particle size on the non-isothermal pyrolysis of almond shells (AS) and olive stones (OS) and to show possible differences in the composition of the different fractions obtained after milling and sieving. The results obtained from the study of different particle size of AS and OS samples show significant differences in the solid residue obtained and in the shape and overlapping degree of the peaks, especially with the smaller particle size. These differences can be due to different factors: (a) the amount of inorganic matter, which increases as particle size decreases, (b) heat and mass transfer processes, (c) different sample composition as a consequence of the milling process which may provoke changes in the structure and the segregation of the components (in addition to the ashes) increasingly changes the composition of the sample as the particle size decreases.

Interplay Between Structure, Stoichiometry, and Electron Transfer Dynamics in SILAR-based Quantum Dot-Sensitized Oxides

We quantify the rate and efficiency of picosecond electron transfer (ET) from PbS nanocrystals, grown by successive ionic layer adsorption and reaction (SILAR), into a mesoporous SnO2 support. Successive SILAR deposition steps allow for stoichiometry- and size-variation of the QDs, characterized using transmission electron microscopy. Whereas for sulfur-rich (p-type) QD surfaces substantial electron trapping at the QD surface occurs, for lead-rich (n-type) QD surfaces, the QD trapping channel is suppressed and the ET efficiency is boosted. The ET efficiency increase achieved by lead-rich QD surfaces is found to be QD-size dependent, increasing linearly with QD surface area. On the other hand, ET rates are found to be independent of both QD size and surface stoichiometry, suggesting that the donor–acceptor energetics (constituting the driving force for ET) are fixed due to Fermi level pinning at the QD/oxide interface. Implications of our results for QD-sensitized solar cell design are discussed.

Les effets du dalcetrapib, un inhibiteur de la protéine de transfert des esters de cholestérol (CETP), sur la structure et la fonction des lipoprotéines de haute densité (HDL) dans l’étude dal-PLAQUE2

Introduction : Le dalcetrapib, inhibiteur de la glycoprotéine hydrophobe de transfert des esters de cholestérol (CETP), a été étudié dans le cadre de l’essai clinique de phase II dal-PLAQUE2 (DP2). L’objectif principal est d’étudier l’effet du dalcetrapib après 1 an de traitement sur la structure et la fonction des HDL dans une sous-population de la cohorte DP2. Méthode : Les sujets de la cohorte DP2 ayant une série de mesures de cIMT et des échantillons de plasma et sérum au baseline et à 1 an de traitement furent sélectionnés (379 sujets: 193 du groupe placebo (PCB) et 186 du groupe dalcetrapib (DAL)). Des données biochimiques prédéterminées, le profil des concentrations et tailles des sous-classes de HDL et LDL en résonance magnétique nucléaire (RMN) et 2 mesures de capacité d’efflux de cholestérol (CEC) du sérum ont été explorées. Les données statistiques furent obtenues en comparant les changements à un an à partir du « baseline » avec un ANOVA ou ANCOVA. La procédure normalisée de fonctionnement d’essai d’efflux de cholestérol permet de calculer l’efflux fractionnel (en %) de 3H-cholestérol des lignées cellulaires BHK-ABCA1 (fibroblastes) et J774 (macrophages, voie ABCA1) et HepG2 (hépatocytes, voie SR-BI), vers les échantillons sériques de la cohorte DP2. Résultats : Pour la biochimie plasmatique, un effet combiné des changements d’activité de CETP dans les 2 groupes a causé une réduction de 30% dans le groupe DAL. Après 1 an de traitement dans le groupe DAL, la valeur de HDL-C a augmenté de 35,5% (p < 0,001) et l’apoA-I a augmenté de 14,0% (p < 0,001). Au profil RMN, dans le groupe DAL après 1 an de traitement, il y a augmentation de la taille des HDL-P (5,2%; p < 0,001), des grosses particules HDL (68,7%; p < 0,001) et des grosses particules LDL (37,5%; p < 0,01). Les petites particules HDL sont diminuées (-9,1%; p < 0,001). Il n’y a aucune différence significative de mesure de cIMT entre les deux groupes après 1 an de traitement. Pour la CEC, il y a augmentation significative par la voie du SR-BI et une augmentation via la voie ABCA1 dans le groupe DAL après 1 an de traitement. Conclusion : Après un an de traitement au dalcetrapib, on note une hausse de HDL-C, des résultats plutôt neutres au niveau du profil lipidique par RMN et une CEC augmentée mais trop faible pour affecter la valeur de cIMT chez les échantillons testés.

Beyond individuals: a more effective structure for the Commission. EPC Commentary, 9 September 2014

In recent days, Brussels has been excited by the circulation of diagrams showing a re-organisation and allocation of posts in the new European Commission, reputedly coming from somewhere within Jean-Claude Juncker’s team. Many have pointed out that some of the appointments seem unlikely, also noting that the diagram seems to miss the Enterprise and Single Market portfolios, where it is difficult to envisage their complete merger into other portfolios, given their size and importance. In addition, not only is the source of the document unknown, it could have been leaked for a specific purpose, for example to test out the reactions in some Member States or to push individual EU countries into action, for example by appointing a woman to get a better portfolio.

The Impact of CAP Reforms on Farm Labour Structure. Factor Markets Working Document No. 63, August 2013

The labour force engaged in the agricultural sector is declining over time, and one can observe the reallocation of labour from family members to hired workers. Using farm-level data, this paper analyses the on-farm labour structure in Greece and assesses the factors driving its evolution over the period 1990-2008. The impact of agricultural policies and farm characteristics is examined in a dynamic panel analysis. Family and hired labour are found to be substitutes rather than complements, while agricultural support measures appear to negatively affect demand for both family and hired labour. Decoupled payments and subsidies on crops are found to have a significant impact on both sources of labour, as well as subsidies for rural development that do not favour on-farm labour use. The paper also finds that structural labour adjustments are the result of farm characteristics, such as farm size and location. The results are robust to various estimation techniques and specifications.

Animal production. Livestock; Breeding herd size; Meat production; Civil year balance sheets. 1968-1977. 1978

"This booklet, published by the Statistical Office of the European Communities, updates the publication 'Statistics of Animal Production' of 1976. The statistics apply to the nine Member States of the Community. This publication is divided into four sections as follows: — Animal population (categories of animals, regions) (1973-1978) — Structure of breeding establishments (cattle and pigs) (1973, 1975, 1977) — Meat production (1968-1977) 'Meat' balance sheet and 'livestock' balance sheet (1976, 1977)"

(Table 1) Ice floe size and other characteristics during aerial observations in Prydz Bay, Antarctica

On the basis of aerial photographs of sea ice floes in the marginal ice zone (MIZ) of Prydz Bay acquired from December 2004 to February 2005 during the 21st Chinese National Antarctic Research Expedition, image processing techniques are employed to extract some geometric parameters of floes from two merged transects covering the whole MIZ. Variations of these parameters with the distance into the MIZ are then obtained. Different parameters of floe size, namely area, perimeter, and mean caliper diameter (MCD), follow three similar stages of increasing, flat and increasing again, with distance from the open ocean. Floe shape parameters (roundness and the ratio of perimeter to MCD), however, have less significant variations than that of floe size. Then, to modify the deviation of the cumulative floe size distribution from the ideal power law, an upper truncated power-law function and a Weibull function are used, and four calculated parameters of the above functions are found to be important descriptors of the evolution of floe size distribution in the MIZ. Among them, Lr of the upper truncated power-law function indicates the upper limit of floe size and roughly equals the maximum floe size in each square sample area. L0 in the Weibull distribution shows an increasing proportion of larger floes in squares farther from the open ocean and roughly equals the mean floe size. D in the upper truncated power-law function is closely associated with the degree of confinement during ice breakup. Its decrease with the distance into MIZ indicates the weakening of confinement conditions on floes owing to wave attenuation. The gamma of the Weibull distribution characterizes the degree of homogeneity in a data set. It also decreases with distance into MIZ, implying that floe size distributes increase in range. Finally, a statistical test on floe size is performed to divide the whole MIZ into three distinct zones made up of floes of quite different characteristics. This zonal structure of floe size also agrees well with the trends of floe shape and floe size distribution, and is believed to be a straightforward result of wave-ice interaction in the MIZ.

The Relationship between Adolescent Social Network Structure and Perceptions of School Climate

Thesis (Ph.D.)--University of Washington, 2016-06

Development of forest structure on cleared rainforest land in eastern Australia under different styles of reforestation

Rainforests in eastern Australia have been extensively cleared over the past two centuries. In recent decades, there have been increasing efforts to reforest some of these cleared lands, using a variety of methods, to meet a range of economic and environmental objectives. However, the extent to which the various styles of reforestation restore structure, composition and ecological function to cleared land is not presently understood. In this study, we develop and apply a method for quantifying the structural attributes of reforestation sites in tropical and subtropical Australia. The types of reforestation studied were plantation monocultures, mixed-species cabinet timber plots, diverse restoration plantings and unmanaged regrowth. Two age classes of reforestation were examined: 'young' (5-22 years), incorporating sites from all categories, and 'old' (30-70 years), in which only monoculture plantations and regrowth were represented. A total of 104 sites were surveyed including reference sites in intact rainforest and pasture. Intact rainforest was characterised by a suite of complex structural features including abundant special life forms (vines, epiphytes, hemi-epiphytes and strangler figs), a dense stand of trees in a range of size classes, a closed canopy, a shrubby understorey and a well-developed ground layer of leaf litter and woody debris. These features were lost on conversion to pasture. While all types of reforestation returned some elements of structural complexity to cleared land, young plantation monocultures, cabinet timber plots and young regrowth had a relatively simple structure. These sites typically had a low density of woody stems, a relatively open canopy and grassy ground cover, and lacked large trees, coarse woody debris and most special life forms. Restoration plantings and old regrowth were more complex, with a high density of woody stems, a relatively closed canopy and shrubby understorey. Old monoculture plantations in the tropics had acquired many of the structural attributes of intact forest, however this was not the case in the subtropics, where plantations were subject to more intensive management. The marked differences in structural complexity between sites suggest that the different types of reforestation practiced in eastern Australia are likely to vary considerably in their value as habitat for rainforest biota. (C) 2003 Elsevier Science B.V. All rights reserved.