Regularized orbit models unveiling the stellar structure and dark matter halo of the Coma elliptical NGC 4807

This is the second in a series of papers dedicated to unveil the mass structure and orbital content of a sample of flattened early-type galaxies in the Coma cluster. The ability of our orbit libraries to reconstruct internal stellar motions and the mass composition of a typical elliptical in the sample is investigated by means of Monte-Carlo simulations of isotropic rotator models. The simulations allow a determination of the optimal amount of regularization needed in the orbit superpositions. It is shown that under realistic observational conditions and with the appropriate regularization internal velocity moments can be reconstructed to an accuracy of about 15 per cent; the same accuracy can be achieved for the circular velocity and dark matter fraction. In contrast, the flattening of the halo remains unconstrained. Regularized orbit superpositions are applied to a first galaxy in our sample, NGC 4807, for which stellar kinematical observations extend to 3 Reff. The galaxy seems dark matter dominated outside 2 Reff. Logarithmic dark matter potentials are consistent with the data, as well as NFW-profiles, mimicking logarithmic potentials over the observationally sampled radial range. In both cases, the derived stellar mass-to-light ratio agrees well with independently obtained mass-to-light ratios from stellar population analysis. Kinematically, NGC 4807 is characterized by mild radial anisotropy outside r>0.5 Reff, becoming isotropic towards the center. Our orbit models hint at either a distinct stellar component or weak triaxiality in the outer parts of the galaxy.Comment: 20 pages, 25 figures, accepted for publication in MNRA

MEMO: mass spectrometry-based sample vectorization to explore chemodiverse datasets

In natural products research, chemodiverse extracts coming from multiple organisms are explored for novel bioactive molecules, sometimes over extended periods. Samples are usually analyzed by liquid chromatography coupled with fragmentation mass spectrometry to acquire informative mass spectral ensembles. Such data is then exploited to establish relationships among analytes or samples (e.g., via molecular networking) and annotate metabolites. However, the comparison of samples profiled in different batches is challenging with current metabolomics methods since the experimental variation-changes in chromatographical or mass spectrometric conditions - hinders the direct comparison of the profiled samples. Here we introduce MEMO-MS2 BasEd SaMple VectOrization-a method allowing to cluster large amounts of chemodiverse samples based on their LC-MS/MS profiles in a retention time agnostic manner. This method is particularly suited for heterogeneous and chemodiverse sample sets. MEMO demonstrated similar clustering performance as state-of-the-art metrics considering fragmentation spectra. More importantly, such performance was achieved without the requirement of a prior feature alignment step and in a significantly shorter computational time. MEMO thus allows the comparison of vast ensembles of samples, even when analyzed over long periods of time, and on different chromatographic or mass spectrometry platforms. This new addition to the computational metabolomics toolbox should drastically expand the scope of large-scale comparative analysis

Isolation and structural elucidation of compounds from Pleiocarpa bicarpellata and their in vitro antiprotozoal activity

Species of the genus Pleiocarpa are used in traditional medicine against fever and malaria. The present study focuses on the isolation and identification of bioactive compounds from P. bicarpellata extracts, and the evaluation of their antiprotozoal activity. Fractionation and isolation combined to LC-HRMS/MS-based dereplication provided 16 compounds: seven indole alkaloids, four indoline alkaloids, two secoiridoid glycosides, two iridoid glycosides, and one phenolic glucoside. One of the quaternary indole alkaloids (7) and one indoline alkaloid (15) have never been reported before. Their structures were elucidated by analysis of spectroscopic data, including 1D and 2D NMR experiments, UV, IR, and HRESIMS data. The absolute configurations were determined by comparison of the experimental and calculated ECD data. The extracts and isolated compounds were evaluated for their antiprotozoal activity towards Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania donovani, and Plasmodium falciparum, as well as for their cytotoxicity against rat skeletal myoblast L6 cells. The dichloromethane/methanol (1:1) root extract showed strong activity against P. falciparum (IC50 value of 3.5 microg/mL). Among the compounds isolated, tubotaiwine (13) displayed the most significant antiplasmodial activity with an IC50 value of 8.5 microM and a selectivity index of 23.4. Therefore, P. bicarpallata extract can be considered as a source of indole alkaloids with antiplasmodial activity

Antiprotozoal activity of natural products from Nigerien plants used in folk medicine

In the course of the screening of plants from Niger for antiprotozoal activity, the methanol extract of Cassia sieberiana, and the dichloromethane extracts of Ziziphus mauritiana and Sesamun alatum were found to be active against protozoan parasites, namely Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania donovani and/or Plasmodium falciparum. Myricitrin (1), quercitrin (2) and 1-palmitoyl-lysolecithin (3) were isolated from C. sieberiana. From Z. mauritiana, the three triterpene derivatives 13, 15, and 16 are described here for the first time. Their chemical structures were determined by 1D and 2D NMR experiments, UV, IR and HRESIMS data. The absolute configurations were assigned via comparison of the experimental and calculated ECD spectra. In addition, eight known cyclopeptide alkaloids (4, 5, 7-12), and five known triterpenoids (6, 14, 17-19) were isolated. The antiprotozoal activity of the isolated compounds, as well as of eleven quinone derivatives (20-30) previously isolated from S. alatum was determined in vitro. The cytotoxicity in L6 rat myoblast cells was also evaluated. Compound 18 showed the highest antiplasmodial activity (IC(50) = 0.2 microm) and compound 24 inhibited T. b. rhodesiense with an IC(50) value of 0.007 microM. However, it also displayed significant cytotoxicity in L6 cells (IC(50) = 0.4 microm)

Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities

Chemical investigation of the alkaloid extract of the aerial parts of Schizanthus tricolor led to the targeted isolation of 26 hygroline derivatives of which 20 were fully characterized. They have not yet been described in the literature and their structures were established by 1D and 2D NMR, UV and IR spectroscopy, and HRESIMS. The configuration was determined by Gauge-Independent Atomic Orbital NMR chemical shift calculations supported by the advanced statistical method DP4 plus, vibrational circular dichroism, and measurement of optical rotation. Their anti-trypanosomatid, antiplasmodial and cytotoxic activities were measured. Several compounds exhibited low micromolar activity against Plasmodium falciparum. None of the identified molecules was cytotoxic

Generation of rotationally dominated galaxies by mergers of pressure-supported progenitors

Through the analysis of a set of numerical simulations of major mergers between initially non-rotating, pressure supported progenitor galaxies with a range of central mass concentrations, we have shown that: (1) it is possible to generate elliptical-like galaxies, with v/sigma > 1 outside one effective radius, as a result of the conversion of orbital- into internal-angular momentum; (2) the outer regions acquire part of the angular momentum first; (3) both the baryonic and the dark matter components of the remnant galaxy acquire part of the angular momentum, the relative fractions depend on the initial concentration of the merging galaxies. For this conversion to occur the initial baryonic component must be sufficiently dense and/or the encounter should take place on a orbit with high angular momentum. Systems with these hybrid properties have been recently observed through a combination of stellar absorption lines and planetary nebulae for kinematic studies of early-type galaxies. Our results are in qualitative agreement with such observations and demonstrate that even mergers composed of non-rotating, pressure-supported progenitor galaxies can produce early-type galaxies with significant rotation at large radii.Comment: 5 pages, 6 figures, 2 tables. Accepted for publication in A&A Letter

The velocity and mass distribution of clusters of galaxies from the CNOC1 cluster redshift survey

In the context of the CNOC1 cluster survey, redshifts were obtained for galaxies in 16 clusters. The resulting sample is ideally suited for an analysis of the internal velocity and mass distribution of clusters. Previous analyses of this dataset used the Jeans equation to model the projected velocity dispersion profile. However, the results of such an analysis always yield a strong degeneracy between the mass density profile and the velocity dispersion anisotropy profile. Here we analyze the full (R,v) dataset of galaxy positions and velocities in an attempt to break this degeneracy. We build an `ensemble cluster' from the individual clusters under the assumption that they form a homologous sequence. To interpret the data we study a one-parameter family of spherical models with different constant velocity dispersion anisotropy. The best-fit model is sought using a variety of statistics, including the overall likelihood of the dataset. Although the results of our analysis depend slightly on which statistic is used to judge the models, all statistics agree that the best-fit model is close to isotropic. This result derives primarily from the fact that the observed grand-total velocity histogram is close to Gaussian, which is not expected to be the case for a strongly anisotropic model. The best-fitting models have a mass-to-number-density ratio that is approximately independent of radius over the range constrained by the data. They also have a mass-density profile that is consistent with the dark matter halo profile advocated by Navarro, Frenk & White, in terms of both the profile shape and the characteristic scale length. This adds important new weight to the evidence that clusters do indeed follow this proposed universal mass density profile. [Abridged]Comment: 37 pages, LaTeX, with 11 PostScript figures. Accepted by the Astronomical Journal, to appear in the May 2000 issue. This replacement version contains an additional Appendix and one additional Figure with respect to the version submitted to astro-ph originall

A Stellar Dynamical Measurement of the Black Hole Mass in the Maser Galaxy NGC 4258

We determine the mass of the black hole at the center of the spiral galaxy NGC 4258 by constructing axisymmetric dynamical models of the galaxy. These models are constrained by high spatial resolution imaging and long-slit spectroscopy of the nuclear region obtained with the {\em Hubble Space Telescope}, complemented by ground-based observations extending to larger radii. Our best mass estimate is \MBH = (3.3 \pm 0.2) \times 10^7 \MSun for a distance of 7.28 Mpc (statistical errors only). This is within 15% of (3.82\pm 0.01) \times 10^7 \MSun, the mass determined from the kinematics of water masers (rescaled to the same distance) assuming they are in Keplerian rotation in a warped disk. The construction of accurate dynamical models of NGC 4258 is somewhat compromised by an unresolved active nucleus and color gradients, the latter caused by variations in the stellar population and/or obscuring dust. These problems are not present in the $\sim 30$ other black hole mass determinations from stellar dynamics that have been published by us and other groups; thus, the relatively close agreement between the stellar dynamical mass and the maser mass in NGC 4258 enhances our confidence in the black hole masses determined in other galaxies from stellar dynamics using similar methods and data of comparable quality.Comment: 58 pages, submitted to ApJ. Some figures excluded due to size. The entire paper is at http://www.noao.edu/noao/staff/lauer/nuker_papers.htm