The Diderot meteorite: The second chassignite

The Diderot meteorite is a dunite discovered in Sahara. The martian origin is unambiguous and Diderot shares strong petrographical similarities with Chassigny

A combined XAS and XRD Study of the High-Pressure Behaviour of GaAsO4 Berlinite

Combined X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) experiments have been carried out on GaAsO4 (berlinite structure) at high pressure and room temperature. XAS measurements indicate four-fold to six-fold coordination changes for both cations. The two local coordination transformations occur at different rates but appear to be coupled. A reversible transition to a high pressure crystalline form occurs around 8 GPa. At a pressure of about 12 GPa, the system mainly consists of octahedral gallium atoms and a mixture of arsenic in four-fold and six-fold coordinations. A second transition to a highly disordered material with both cations in six-fold coordination occurs at higher pressures and is irreversible.Comment: 8 pages, 5 figures, LaTeX2

Resistance to paclitaxel in a cisplatin-resistant ovarian cancer cell line is mediated by P-glycoprotein

The IGROVCDDP cisplatin-resistant ovarian cancer cell line is also resistant to paclitaxel and models the resistance phenotype of relapsed ovarian cancer patients after first-line platinum/taxane chemotherapy. A TaqMan low-density array (TLDA) was used to characterise the expression of 380 genes associated with chemotherapy resistance in IGROVCDDP cells. Paclitaxel resistance in IGROVCDDP is mediated by gene and protein overexpression of P-glycoprotein and the protein is functionally active. Cisplatin resistance was not reversed by elacridar, confirming that cisplatin is not a P-glycoprotein substrate. Cisplatin resistance in IGROVCDDP is multifactorial and is mediated in part by the glutathione pathway and decreased accumulation of drug. Total cellular glutathione was not increased. However, the enzyme activity of GSR and GGT1 were up-regulated. The cellular localisation of copper transporter CTR1 changed from membrane associated in IGROV-1 to cytoplasmic in IGROVCDDP. This may mediate the previously reported accumulation defect. There was decreased expression of the sodium potassium pump (ATP1A), MRP1 and FBP which all have been previously associated with platinum accumulation defects in platinum-resistant cell lines. Cellular localisation of MRP1 was also altered in IGROVCDDP shifting basolaterally, compared to IGROV-1. BRCA1 was also up-regulated at the gene and protein level. The overexpression of P-glycoprotein in a resistant model developed with cisplatin is unusual. This demonstrates that P-glycoprotein can be up-regulated as a generalised stress response rather than as a specific response to a substrate. Mechanisms characterised in IGROVCDDP cells may be applicable to relapsed ovarian cancer patients treated with frontline platinum/taxane chemotherapy

Do the relationships between hindlimb anatomy and sprint speed variation differ between sexes in Anolis lizards?

The ability of an animal to run fast has important consequences on its survival capacity and overall fitness. Previous studies have documented how variation in the morphology of the limbs is related to variation in locomotor performance. Although these studies have suggested direct relations between sprint speed and hindlimb morphology, few quantitative data exist. Consequently, it remains unclear whether selection acts in limb segment lengths, overall muscle mass or muscle architecture (e.g. muscle fiber length and cross-sectional area). Here, we investigate whether muscle architecture (mass, fiber length and physiological cross-sectional area), hindlimb segment dimensions, or both, explain variation in sprint speed across 14 species of Anolis lizards. Moreover, we test whether similar relationships exist between morphology and performance for both sexes, which may not be the case given the known differences in locomotor behavior and habitat use. Our results show that the main driver of sprint speed is the variation in femur length for both males and females. Our results further show sexual dimorphism in the traits studied and, moreover, show differences in the traits that predict maximal sprint speed in males and females. For example, snout vent length and overall muscle mass are also good predictors of sprint speed in males, whereas no relationships between muscle mass and sprint speed was observed in females. Only a few significant relationships were found between muscle architecture (fiber length, cross-sectional area) and sprint speed in male anoles, suggesting that overall muscles size, rather than muscle architecture, appears to be under selection

Studying the Pulsation of Mira Variables in the Ultraviolet

We present results from an empirical study of the Mg II h & k emission lines of selected Mira variable stars, using spectra from the International Ultraviolet Explorer (IUE). The stars all exhibit similar Mg II behavior during the course of their pulsation cycles. The Mg II flux always peaks after optical maximum near pulsation phase 0.2-0.5, although the Mg II flux can vary greatly from one cycle to the next. The lines are highly blueshifted, with the magnitude of the blueshift decreasing with phase. The widths of the Mg II lines are also phase-dependent, decreasing from about 70 km/s to 40 km/s between phase 0.2 and 0.6. We also study other UV emission lines apparent in the IUE spectra, most of them Fe II lines. These lines are much narrower and not nearly as blueshifted as the Mg II lines. They exhibit the same phase-dependent flux behavior as Mg II, but they do not show similar velocity or width variations.Comment: 26 pages, 12 figures; AASTEX v5.0 plus EPSF extensions in mkfig.sty; to appear in Ap

Expanding Autonomy Psychological Need States From Two (Satisfaction, Frustration) to Three (Dissatisfaction): A Classroom-Based Intervention Study

We propose that students experience "autonomy dissatisfaction" when the learning environment is indifferent to their psychological need for autonomy. We hypothesized that (a) students could distinguish this newly proposed need state from both autonomy satisfaction and autonomy frustration, (b) autonomy dissatisfaction would explain unique and rather substantial variance in students' classroom disengagement, and (c) a full understanding of the psychological need for autonomy necessitates expanding the current emphasis from two need states (satisfaction, frustration) to three (dissatisfaction). In the experimental condition, 20 secondaryschool physical education (PE) teachers learned how to teach in an autonomy-supportive way; in the control condition, 17 PE teachers taught using "practice as usual." Their 2,669 students (1,180 females, 1,489 males) self-reported their autonomy satisfaction, autonomy dissatisfaction, autonomy frustration, engagement, and disengagement throughout a semester. Objective raters scored the manipulation check (teachers' autonomysupportive instructional behaviors) and the engagement-disengagement outcome measure. Autonomy dissatisfaction longitudinally increased in the control group and longitudinally decreased in the experimental group. Most importantly, intervention-enabled decreases in autonomy dissatisfaction decreased students' end-ofsemester disengagement, even after controlling for midsemester changes in autonomy satisfaction and autonomy frustration. We discuss the theoretical and practical benefits of adding autonomy dissatisfaction to the self-determination theory explanatory framework

Development and application of a data-driven reaction classification model : comparison of an electronic lab notebook and the medicinal chemistry literature

Reaction classification has often been considered an important task for many different applications, and has traditionally been accomplished using hand-coded rule-based approaches. However, the availability of large collections of reactions enables data-driven approaches to be developed. We present the development and validation of a 336-class machine learning-based classification model integrated within a Conformal Prediction (CP) framework in order to associate reaction class predictions with confidence estimations. We also propose a data-driven approach for 'dynamic' reaction fingerprinting to maximise the effectiveness of reaction encoding, as well as developing a novel reaction classification system that organises labels in four hierarchical levels (SHREC: Sheffield Hierarchical REaction Classification). We show that the performance of the CP augmented model can be improved by defining confidence thresholds to detect predictions that are less likely to be false. For example, the external validation of the model reports 95% of predictions as correct by filtering out less than 15% of the uncertain classifications. The application of the model is demonstrated by classifying two reaction datasets: one extracted from an industrial ELN and the other from the medicinal chemistry literature. We show how confidence estimations and class compositions across different levels of information can be used to gain immediate insights on the nature of reaction collections and hidden relationship between reaction classes

A Double-Mode RR Lyrae Star with a Strong Fundamental Mode Component

NSVS 5222076, a thirteenth magnitude star in the Northern Sky Variability Survey, was identified by Oaster as a possible new double-mode RR Lyrae star. We confirm the double-mode nature of NSVS 5222076, supplementing the survey data with new V band photometry. NSVS 5222076 has a fundamental mode period of 0.4940 day and a first overtone period of 0.3668 day. Its fundamental mode light curve has an amplitude twice as large as that of the first overtone mode, a ratio very rarely seen. Data from the literature are used to discuss the location in the Petersen diagram of double-mode RR Lyrae stars having strong fundamental mode pulsation. Such stars tend to occur toward the short period end of the Petersen diagram, and NSVS 5222976 is no exception to this rule.Comment: 14 pages, 4 figures, To be published in the March, 2006, issue of PAS

Enhancing reaction-based de novo design using a multi-label reaction class recommender

Reaction-based de novo design refers to the in-silico generation of novel chemical structures by combining reagents using structural transformations derived from known reactions. The driver for using reaction-based transformations is to increase the likelihood of the designed molecules being synthetically accessible. We have previously described a reaction-based de novo design method based on reaction vectors which are transformation rules that are encoded automatically from reaction databases. A limitation of reaction vectors is that they account for structural changes that occur at the core of a reaction only, and they do not consider the presence of competing functionalities that can compromise the reaction outcome. Here, we present the development of a Reaction Class Recommender to enhance the reaction vector framework. The recommender is intended to be used as a filter on the reaction vectors that are applied during de novo design to reduce the combinatorial explosion of in-silico molecules produced while limiting the generated structures to those which are most likely to be synthesisable. The recommender has been validated using an external data set extracted from the recent medicinal chemistry literature and in two simulated de novo design experiments. Results suggest that the use of the recommender drastically reduces the number of solutions explored by the algorithm while preserving the chance of finding relevant solutions and increasing the global synthetic accessibility of the designed molecules

Panton–Valentine leukocidin is expressed at toxic levels in human skin abscesses

AbstractPus samples were prospectively collected from patients with Staphylococcus aureus skin infections and tested for Panton–Valentine leukocidin (PVL). PVL was detected at concentrations that were toxic for rabbit skin in all specimens from patients infected with strains harbouring PVL genes