Structure and spectroscopy of doped helium clusters using quantum Monte Carlo techniques

We present a comparative study of the rotational characteristics of various molecule-doped 4He clusters using quantum Monte Carlo techniques. The theoretical conclusions obtained from both zero and finite temperature Monte Carlo studies confirm the presence of two different dynamical regimes that correlate with the magnitude of the rotational constant of the molecule, i.e., fast or slow rotors. For a slow rotor, the effective rotational constant for the molecule inside the helium droplet can be determined by a microscopic two-fluid model in which helium densities computed by path integral Monte Carlo are used as input, as well as by direct computation of excited energy levels. For a faster rotor, the conditions for application of the two-fluid model for dynamical analysis are usually not fulfilled and the direct determination of excitation energies is then mandatory. Quantitative studies for three molecules are summarized, showing in each case excellent agreement with experimental results

On the formation of dwarf galaxies and stellar halos

Using analytic arguments and a suite of very high resolution (10^3 Msun per particle) cosmological hydro-dynamical simulations, we argue that high redshift, z ~ 10, M ~ 10^8 Msun halos, form the smallest `baryonic building block' (BBB) for galaxy formation. These halos are just massive enough to efficiently form stars through atomic line cooling and to hold onto their gas in the presence of supernovae winds and reionisation. These combined effects, in particular that of the supernovae feedback, create a sharp transition: over the mass range 3-10x10^7 Msun, the BBBs drop two orders ofmagnitude in stellar mass. Below ~2x10^7 Msun, galaxies will be dark with almost no stars and no gas. Above this scale is the smallest unit of galaxy formation: the BBB. A small fraction (~100) of these gas rich BBBs fall in to a galaxy the size of the Milky Way. Ten percent of these survive to become the observed LG dwarf galaxies at the present epoch. Those in-falling halos on benign orbits which keep them far away from the Milky Way or Andromeda manage to retain their gas and slowly form stars - these become the smallest dwarf irregular galax ies; those on more severe orbits lose their gas faster than they can form stars and become the dwarf spheroidals. The remaining 90% of the BBBs will be accreted. We show that this gives a metallicity and total stellar mass consistent with the Milky Way old stellar halo (abridged).Comment: 15 pages, 7 figures, one figure added to match accepted version. Some typos fixed. MNRAS in pres

Detecting X-ray filaments in the low redshift Universe with XEUS and Constellation-X

We propose a possible way to detect baryons at low redshifts from the analysis of X-ray absorption spectra of bright AGN pairs. A simple semi-analytical model to simulate the spectra is presented. We model the diffuse warm-hot intergalactic medium (WHIM) component, responsible for the X-ray absorption, using inputs from high-resolution hydro-dynamical simulations and analytical prescriptions. We show that the number of OVII absorbers per unit redshift with column density larger than $10^{13.5}$ cm$^{-2}$ - corresponding to an equivalent width of $\sim$ 1 km/s - which will be possibly detectable by {\it XEUS}, is \magcir 30 per unit redshift. {\it Constellation-X} will detect $\sim 6$ OVII absorptions per unit redshift with an equivalent width of 10 km/s. Our results show that, in a $\Lambda$CDM Universe, the characteristic size of these absorbers at $z\sim 0.1$ is $\sim 1$ $h^{-1}$ Mpc. The filamentary structure of WHIM can be probed by finding coincident absorption lines in the spectra of background AGN pairs. We estimate that at least 20 AGN pairs at separation \mincir 20 arcmin are needed to detect this filamentary structure at a 3$\sigma$ level. Assuming observations of distant sources using {\it XEUS} for exposure times of 500 ksec, we find that the minimum source flux to probe the filamentary structure is $\sim 2\times 10^{-12}$ erg cm$^{-2}$ s$^{-1}$, in the 0.1-2.4 keV energy band. Thus, most pairs of these extragalactic X-ray bright sources have already been identified in the {\it ROSAT} All-Sky Survey. Re-observation of these objects by future missions could be a powerful way to search for baryons in the low redshift Universe.Comment: 18 pages, 10 Figures. Two figures added, Sections 2 and 3 expanded. More optimistic results for Constellation-X. Accepted by MNRA

Dark energy records in lensed cosmic microwave background

We consider the weak lensing effect induced by linear cosmological perturbations on the cosmic microwave background (CMB) polarization anisotropies. We find that the amplitude of the lensing peak in the BB mode power spectrum is a faithful tracer of the dark energy dynamics at the onset of cosmic acceleration. This is due to two reasons. First, the lensing power is non-zero only at intermediate redshifts between the observer and the source, keeping record of the linear perturbation growth rate at the corresponding epoch. Second, the BB lensing signal is expected to dominate over the other sources. The lensing distortion on the TT and EE spectra do exhibit a similar dependence on the dark energy dynamics, although those are dominated by primary anisotropies. We investigate and quantify the effect by means of exact tracking quintessence models, as well as parameterizing the dark energy equation of state in terms of the present value ($w_{0}$) and its asymptotic value in the past ($w_{\infty}$); in the interval allowed by the present constraints on dark energy, the variation of $w_{\infty}$ induces a significant change in the BB mode lensing amplitude. A Fisher matrix analysis, under conservative assumptions concerning the increase of the sample variance due to the lensing non-Gaussian statistics, shows that a precision of order 10% on both $w_{0}$ and $w_{\infty}$ is achievable by the future experiments probing a large sky area with angular resolution and sensitivity appropriate to detect the lensing effect on the CMB angular power spectrum. These results show that the CMB can probe the differential redshift behavior of the dark energy equation of state, beyond its average.Comment: New version including substantial text change, three more figures and two more table

Modular Use of the Uniquely Small Ring A of Mersacidin Generates the Smallest Ribosomally Produced Lanthipeptide

Mersacidin is an antimicrobial class II lanthipeptide. Lanthipeptides are a class of ribosomally synthesized and post-translationally modified peptides (RiPPs), characterized by intramolecular lanthionine rings. These rings give lanthipeptides their bioactive structure and stability. RiPPs are produced from a gene cluster that encodes a precursor peptide and its dedicated unique modification enzymes. The field of RiPP engineering aims to recombine modification enzymes from different RiPPs to modify new substrates, resulting in new-to-nature molecules with novel or improved functionality. The enzyme MrsM from the mersacidin gene cluster installs the four lanthionine rings of mersacidin, including the uniquely small ring A. By applying MrsM in RiPP engineering, this ring could be installed in linear peptides to achieve stabilization by a very small lanthionine or to create small lanthionine-stabilized modules for chemical modification. However, the formation of unique intramolecular structures like that of mersacidin's ring A can be very stringent. Here, the formation of ring A of mersacidin is characterized by mutagenesis. A range of truncated mersacidin variants was made to identify the smallest possible construct in which this ring could still be formed. Additionally, mutants were created to study the flexibility of ring A formation. It was found that although the formation of ring A is stringent, it can be formed in a core peptide as small as five amino acids. The truncated mersacidin core peptide CTFAL is the smallest ribosomally produced lanthipeptide reported to date, and it has exciting prospects as a new module for application in RiPP engineering

Probing 3-D matter distribution at z~2 with QSO multiple lines of sight

We investigate the 3-D matter distribution at z~2 with high resolution (R ~ 40000) spectra of QSO pairs and groups obtained with the UVES spectrograph at ESO VLT. Our sample is unique for the number density of objects and the variety of separations, between 0.5 and 7 proper Mpc. We compute the real space cross-correlation function of the Lyman-alpha forest transmitted fluxes. There is a significant clustering signal up to ~2 proper Mpc, which is still present when absorption lines with high column density (log N > 13.8) are excluded.Comment: Poster paper presented at the IAU Colloquium #199 on "Probing Galaxies through Quasar Absorption Lines" held in Shanghai, China from March 14th to 18th, 200

On the formation of dwarf galaxies and stellar haloes

Using analytic arguments and a suite of very high resolution (∼103 M⊙ per particle) cosmological hydrodynamical simulations, we argue that high-redshift, z∼ 10, M∼ 108 M⊙ haloes, form the smallest ‘baryonic building block' (BBB) for galaxy formation. These haloes are just massive enough to efficiently form stars through atomic line cooling and to hold on to their gas in the presence of supernova (SN) winds and reionization. These combined effects, in particular that of the SN feedback, create a sharp transition: over the mass range 3-10 × 107 M⊙, the BBBs drop two orders of magnitude in stellar mass. Below ∼2 × 107 M⊙, galaxies will be dark with almost no stars and no gas. Above this scale is the smallest unit of galaxy formation: the BBB. We show that the BBBs have stellar distributions which are spheroidal, of low rotational velocity, old and metal poor: they resemble the dwarf spheroidal galaxies (dSphs) of the Local Group (LG). Unlike the LG dSphs, however, they contain significant gas fractions. We connect these high-redshift BBBs to the smallest dwarf galaxies observed at z= 0 using linear theory. A small fraction (∼100) of these gas-rich BBBs at high redshift fall in to a galaxy the size of the Milky Way (MW). We suggest that 10 per cent of these survive to become the observed LG dwarf galaxies at the present epoch. This is consistent with recent numerical estimates. Those infalling haloes on benign orbits which keep them far away from the MW or Andromeda manage to retain their gas and slowly form stars - these become the smallest dwarf irregular galaxies; those on more severe orbits lose their gas faster than they can form stars and become the dwarf spheroidals. The remaining 90 per cent of the BBBs will be accreted. We show that this gives a metallicity and total stellar mass consistent with the MW old stellar hal

Tomography of the intergalactic medium with Ly-alpha forests in close QSO pairs

We study the three-dimensional distribution of non virialised matter at z~2 using high resolution spectra of QSO pairs and simulated spectra drawn from cosmological hydrodynamical simulations. We have collected the largest sample of QSO pairs ever observed with UVES at the ESO-VLT, with angular separations between ~1 and 14 arcmin. The observed correlation functions of the transmitted flux in the HI Lyman alpha forest along and transverse to the lines of sight are in good agreement implying that the distortions in redshift space due to peculiar velocities are small. The clustering signal is significant up to velocity separations of ~200 km/s, or about 3 h^{-1} comoving Mpc. The regions at lower overdensity (rho/ < 6.5) are still clustered but on smaller scales (Delta v < 100 km/s). The observed and simulated correlation functions are compatible at the 3 sigma level. A better concordance is obtained when only the low overdensity regions are selected for the analysis or when the effective optical depth of the simulated spectra is increased artificially, suggesting a deficiency of strong lines in the simulated spectra. We found that also a lower value of the power-law index of the temperature-density relation for the Lyman alpha forest gas improves the agreement between observed and simulated results. If confirmed, this would be consistent with other observations favouring a late HeII reionization epoch (at z~3). We remark the detection of a significant clustering signal in the cross correlation coefficient at a transverse velocity separation Delta v_{\perp} ~500 km/s whose origin needs further investigation.Comment: Accepted for publication in MNRAS, revised version matching the accepted on

Characterization of Leader Processing Shows That Partially Processed Mersacidin Is Activated by AprE After Export

The ribosomally synthesized and post-translationally modified peptide mersacidin is a class II lanthipeptide with good activity against Gram-positive bacteria. The intramolecular lanthionine rings, that give mersacidin its stability and antimicrobial activity, are specific structures with potential applications in synthetic biology. To add the mersacidin modification enzymes to the synthetic biology toolbox, a heterologous expression system for mersacidin in Escherichia coli has recently been developed. While this system was able to produce fully modified mersacidin precursor peptide that could be activated by Bacillus amyloliquefaciens supernatant and showed that mersacidin was activated in an additional proteolytic step after transportation out of the cell, it lacked a mechanism for clean and straightforward leader processing. Here, the protease responsible for activating mersacidin was identified and heterologously produced in E. coli, improving the previously reported heterologous expression system. By screening multiple proteases, the stringency of proteolytic activity directly next to a very small lanthionine ring is demonstrated, and the full two-step proteolytic activation of mersacidin was elucidated. Additionally, the effect of partial leader processing on diffusion and antimicrobial activity is assessed, shedding light on the function of two-step leader processing