Effective destruction of CO by cosmic rays: implications for tracing H2_2 gas in the Universe

We report on the effects of cosmic rays (CRs) on the abundance of CO in $\rm H_2$ clouds under conditions typical for star-forming galaxies in the Universe. We discover that this most important molecule for tracing H$_2$ gas is very effectively destroyed in ISM environments with CR energy densities $\rm U_{CR}\sim(50-10^{3})\times U_{CR,Gal}$, a range expected in numerous star-forming systems throughout the Universe. This density-dependent effect operates volumetrically rather than only on molecular cloud surfaces (i.e. unlike FUV radiation that also destroys CO), and is facilitated by: a) the direct destruction of CO by CRs, and b) a reaction channel activated by CR-produced He$^{+}$. The effect we uncover is strong enough to render Milky-Way type Giant Molecular Clouds (GMCs) very CO-poor (and thus CO-untraceable), even in ISM environments with rather modestly enhanced average CR energy densities of $\rm U_{CR}\sim(10-50)\times\rm U_{CR,Gal}$. We conclude that the CR-induced destruction of CO in molecular clouds, unhindered by dust absorption, is perhaps the single most important factor controlling the CO-visibility of molecular gas in vigorously star-forming galaxies. We anticipate that a second order effect of this CO destruction mechanism will be to make the H$_2$ distribution in the gas-rich disks of such galaxies appear much clumpier in CO $J$=1--0, 2--1 line emission than it actually is. Finally we give an analytical approximation of the CO/H$_2$ abundance ratio as a function of gas density and CR energy density for use in galaxy-size or cosmological hydrodynamical simulations, and propose some key observational tests.Comment: Accepted for publication in ApJ, 29 page

CI emission in Ultra Luminous Infrared Galaxies as a molecular gas mass tracer

We present new sensitive wide-band measurements of the fine structure line 3^P_1 -> 3^P_0 (J=1-0, 492GHz) of neutral atomic carbon (CI) in the two typical Ultra Luminous Infrared Galaxies NGC6240 and Arp220. We then use them along with several other CI measurements in similar objects found in the literature to estimate their global molecular gas content under the assumption of a full CI-H_2 concomitance. We find excellent agreement between the H_2 gas mass estimated with this method and the standard methods using 12^CO. This may provide a new way to measure H_2 gas mass in galaxies, and one which may be very valuable in ULIRGs since in such systems the bright 12^CO emission is known to systematically overestimate the gas mass while their 13^CO emission is usually very weak. At redshifts z>=1 the CI J=1-0 line shifts to much more favorable atmospheric windows and can become a viable alternative tracer of the H_2 gas fueling starburst events in the distant Universe.Comment: 11 pages, 2 figures. Accepted for publication in ApJ Letter

A faster algorithm for the construction of optimal factoring automata

The problem of constructing optimal factoring automata arises in the context of unification factoring for the efficient execution of logic programs. Given an ordered set of $n$ strings of length $m$, the problem is to construct a trie-like tree structure of minimum size in which the leaves in left-to-right order represent the input strings in the given order. Contrary to standard tries, the order in which the characters of a string are encountered can be different on different root-to-leaf paths. Dawson et al. [ACM Trans. Program. Lang. Syst. 18(5):528--563, 1996] gave an algorithm that solves the problem in time $O(n^2 m (n+m))$. In this paper, we present an improved algorithm with running-time $O(n^2m)$

Cosmic-ray induced destruction of CO in star-forming galaxies

We explore the effects of the expected higher cosmic ray (CR) ionization rates $\zeta_{\rm CR}$ on the abundances of carbon monoxide (CO), atomic carbon (C), and ionized carbon (C$^+$) in the H$_2$ clouds of star-forming galaxies. The study of Bisbas et al. (2015) is expanded by: a) using realistic inhomogeneous Giant Molecular Cloud (GMC) structures, b) a detailed chemical analysis behind the CR-induced destruction of CO, and c) exploring the thermal state of CR-irradiated molecular gas. CRs permeating the interstellar medium with $\zeta_{\rm CR}$$\gtrsim 10\times$(Galactic) are found to significantly reduce the [CO]/[H$_2$] abundance ratios throughout the mass of a GMC. CO rotational line imaging will then show much clumpier structures than the actual ones. For $\zeta_{\rm CR}$$\gtrsim 100\times$(Galactic) this bias becomes severe, limiting the utility of CO lines for recovering structural and dynamical characteristics of H$_2$-rich galaxies throughout the Universe, including many of the so-called Main Sequence (MS) galaxies where the bulk of cosmic star formation occurs. Both C$^+$ and C abundances increase with rising $\zeta_{\rm CR}$, with C remaining the most abundant of the two throughout H$_2$ clouds, when $\zeta_{\rm CR}\sim (1-100)\times$(Galactic). C$^+$ starts to dominate for $\zeta_{\rm CR}$$\gtrsim 10^3\times$(Galactic). The thermal state of the gas in the inner and denser regions of GMCs is invariant with $T_{\rm gas}\sim 10\,{\rm K}$ for $\zeta_{\rm CR}\sim (1-10)\times$(Galactic). For $\zeta_{\rm CR}$$\sim 10^3\times$(Galactic) this is no longer the case and $T_{\rm gas}\sim 30-50\,{\rm K}$ are reached. Finally we identify OH as the key species whose $T_{\rm gas}-$sensitive abundance could mitigate the destruction of CO at high temperatures.Comment: 17 pages, 12 figures, accepted by Ap

On the Convolution Efficiency for Probabilistic Analysis of Real-Time Systems (Artifact)

This artifact describes the process for validation and reproduction of the experiments given in the associated paper "On the Convolution Efficiency for Probabilistic Analysis of Real-Time Systems". This document contains the information on the scope of the presented artifact, i.e. what are the considered experiments, instructions for obtaining the source code of the experiments, tested platforms, and other relevant information

Conformational Distribution of Bradykinin [bk + 2H]2+ Revealed by Cold Ion Spectroscopy Coupled with FAIMS

We employ cold ion spectroscopy (CIS) in conjunction with high-field asymmetric waveform ion mobility spectrometry (FAIMS) to study the peptide bradykinin in its doubly protonated charge state ([bk + 2H]2+). Using FAIMS, we partially separate the electrosprayed [bk + 2H]2+ ions into two conformational families and selectively introduce one of them at a time into a cold ion trap mass spectrometer, where we probe them by UV photofragment spectroscopy. Although the two conformational families have distinct electronic spectra, some cross-conformer contamination can be observed under certain conditions. We demonstrate that this contamination comes from isomerization of ions energized during and/or after their separation and not from incomplete separation of the initially electrosprayed conformations in the FAIMS stage. By varying the injection voltage of the ions into our mass spectrometer, we can intentionally induce isomerization to produce what seems to be a gas phase equilibrium distribution of conformers. This distribution is different from the one produced initially by electrospray, indicating that some of the conformers are kinetically trapped and may be related to conformers that are more favored in solutio

New places and phases of CO-poor/CI-rich molecular gas in the Universe

In this work we extend the work on the recently discovered role of Cosmic Rays (CRs) in regulating the average CO/$\rm H_2$ abundance ratio in molecular clouds (and thus their CO line visibility) in starburst galaxies, and find that it can lead to a CO-poor/CI-rich $\rm H_2$ gas phase even in environments with Galactic or in only modestly enhanced CR backgrounds expected in ordinary star-forming galaxies. Furthermore, the same CR-driven astro-chemistry raises the possibility of a widespread phase transition of molecular gas towards a CO-poor/CI-rich phase in: a) molecular gas outflows found in star-forming galaxies, b) active galactic nuclei (AGNs), and c) near synchrotron-emitting radio jets and the radio-loud cores of powerful radio galaxies. For main sequence galaxies we find that CRs can render some of their molecular gas mass CO-invisible, compounding the effects of low metallicities. Imaging the two fine structure lines of atomic carbon with resolution high enough to search beyond the CI/CO-bright line regions associated with central starbursts can reveal such a CO-poor/CI-rich molecular gas phase, provided that relative brightness sensitivity levels of $T_b$(CI $1-0$)/$T_b$(CO $J=1-0$)$\sim$0.15 are reached. The capability to search for such gas in the Galaxy is now at hand with the new high-frequency survey telescope HEAT deployed in Antarctica and future ones to be deployed in Dome A. ALMA can search for such gas in star-forming spiral disks, galactic molecular gas outflows and the CR-intense galactic and circumgalactic gas-rich environments of radio-loud objects.Comment: 11 pages, 5 figures, MNRAS accepte

A Comparative Molecular Dynamics, MM−PBSA and Thermodynamic Integration Study of Saquinavir Complexes with Wild-Type HIV‑1 PR and L10I, G48V, L63P, A71V, G73S, V82A and I84V Single Mutants

A great challenge toward Acquired Immunodeficiency Syndrome (AIDS) treatment is to combat the HIV-1 virus. The major problem of drug resistance has kept the virus one step ahead of the medical community, and the call for more effective drugs remains as urgent as ever. Saquinavir, the first inhibitor against HIV-1 protease, offers the most extensive clinical data regarding resistance mutations. In this work, we examine L10I, G48V, L63P, A71V, G73S, V82A, and I84V single mutant HIV-1 PR strains in complexes with saquinavir to elucidate drug–protease interactions and dynamics. A comparative analysis of these mutations at the molecular level may lead to a deeper understanding of saquinavir resistance. The G48V mutation induces structural changes to the protease that reflect upon the drug’s binding affinity, as shown by MM–PBSA and thermodynamic integration (TI) calculations (ΔΔGTI = 0.3 kcal/mol; ΔΔGMM–PBSA = 1.2 kcal/mol). It was shown that mutations, which increase the flexibility of the flaps (G48V, L63P, L10I) diminish binding. The preservation of hydrogen bonds of saquinavir with both the active site and flap residues in the wild-type and certain single mutants (A71V, V82A) is also crucial for effective inhibition. It was shown that mutations conferring major resistance (G48V, L63P, I84V) did not present these interactions. Finally, it was indicated that a water-mediated hydrogen bond between saquinavir and Asp29 in the active site (wild-type, A71V, G73S) facilitates a proper placement of the drug into the binding cavity that favors binding. Mutants lacking this interaction (G48V, V82A, I84V) demonstrated reduced binding affinities. This systematic and comparative study is a contribution to the elucidation of the drug resistance mechanism in HIV-1 PR