Theoretical Studies of Several Small-Ring Precursors to (+)-JQ1

We present the results of DFT(B3LYP) calculations on several precursors to (+)-JQ1 using an accurate basis set, including a report of conformational analysis, thermochemistry, optimized geometries and electrostatic potentials, and calculated IR and Raman spectra. Species include (I)1H-1,4-diazepin-2(3H)-imine, (II) 9H-[1,2,4]triazolo[4,3-a][1,4]diazepine, (III) 6H-thieno[3,2-f][1,2,4]triazolo[4,3a][1,4]diazepine, and (IV) 4-(4-chlorophenyl)-6H-thieno[3,2f][1,2,4]triazolo[4,3-a][1,4]diazepine. Studies are also reported on monobrominated (II)-(IV) substituted at the chiral center of the seven member ring, including a comparison of the energetics of equatorial versus axial bromination of the parent precursor. Implications with regard to the larger structure of (+)-JQ1 are discussed

Identifying Agile Requirements Engineering Patterns in Industry

Agile Software Development (ASD) is gaining in popularity in today´s business world. Industry is adopting agile methodologies both to accelerate value delivery and to enhance the ability to deal with changing requirements. However, ASD has a great impact on how Requirements Engineering (RE) is carried out in agile environments. The integration of Human-Centered Design (HCD) plays an important role due to the focus on user and stakeholder involvement. To this end, we aim to introduce agile RE patterns as main objective of this paper. On the one hand, we will describe our pattern mining process based on empirical research in literature and industry. On the other hand, we will discuss our results and provide two examples of agile RE patterns. In sum, the pattern mining process identifies 41 agile RE patterns. The accumulated knowledge will be shared by means of a web application.Ministerio de Economía y Competitividad TIN2013-46928-C3-3-RMinisterio de Economía y Competitividad TIN2016-76956-C3-2-RMinisterio de Economía y Competitividad TIN2015-71938-RED

Company Taxation in the European Union

This paper investigates different measures of corporate tax burden ranging from the most basic ones such as the statutory tax rate to the effective tax rates. Each of these measures has advantages and disadvantages and they may lead to different rankings of countries. One of the reasons lies the fact that they measure different things. The comparison of the statutory tax rates to the effective ones for the EU-27 during the period of 1998-2009 sometimes reveals very significant differences between these indicators. Taking this into consideration, the paper suggests that corporate tax burden analysis should not be limited to the most basic and readily available measure in the form of the statutory tax rate. Different measures are tailored to answer different research questions. Moreover, the article presents changes of company taxation for the EU-27 within 1998-2009.W artykule dokonano przeglądu miar obciążenia podatkowego przedsiębiorstw. Rozpoczynając od wielkości najprostszych, jak stopa nominalna, a kończąc na miarach efektywnych. Każdy ze wskaźników ma wady i zalety, a jego wykorzystanie może prowadzić do różnego uszeregowania państw ze względu na poziom opodatkowania. Jedną z przyczyn jest fakt, iż wielkości te mierzą inne rzeczy. Porównanie stóp nominalnych i efektywnych w krajach UE-27, w latach 1998-2009, wskazuje na istnienie niekiedy bardzo istotnych różnic pomiędzy analizowanymi wskaźnikami. W związku z tym artykuł sugeruje, iż nie należy ograniczać analiz opodatkowania przedsiębiorstw, do najprostszego i najłatwiej dostępnego wskaźnika w postaci ustawowej stopy podatkowej a rozszerzyć je o miary efektywne. Wielkości te, stanowiące lepszy instrument do porównań międzynarodowych, umożliwiają przeprowadzenie wszechstronnych badań

Nonlinear shock acceleration beyond the Bohm limit

We suggest a physical mechanism whereby the acceleration time of cosmic rays by shock waves can be significantly reduced. This creates the possibility of particle acceleration beyond the knee energy at ~10^15eV. The acceleration results from a nonlinear modification of the flow ahead of the shock supported by particles already accelerated to the knee momentum at p ~ p_*. The particles gain energy by bouncing off converging magnetic irregularities frozen into the flow in the shock precursor and not so much by re-crossing the shock itself. The acceleration rate is thus determined by the gradient of the flow velocity and turns out to be formally independent of the particle mean free path (m.f.p.). The velocity gradient is, in turn, set by the knee-particles at p ~ p_* as having the dominant contribution to the CR pressure. Since it is independent of the m.f.p., the acceleration rate of particles above the knee does not decrease with energy, unlike in the linear acceleration regime. The reason for the knee formation at p ~ p_* is that particles with $p > p_*$ are effectively confined to the shock precursor only while they are within limited domains in the momentum space, while other particles fall into ``loss-islands'', similar to the ``loss-cone'' of magnetic traps. This structure of the momentum space is due to the character of the scattering magnetic irregularities. They are formed by a train of shock waves that naturally emerge from unstably growing and steepening magnetosonic waves or as a result of acoustic instability of the CR precursor. These losses steepen the spectrum above the knee, which also prevents the shock width from increasing with the maximum particle energy.Comment: aastex, 13 eps figure

How well are Tropical Cyclones represented in reanalysis data sets?

Tropical cyclones (TCs) are identified and tracked in six recent reanalysis data sets and compared with those from the IBTrACS best track archive. Results indicate that nearly every cyclone present in IBTrACS over the period 1979-2012 can be found in all six reanalyses using a tracking and matching approach. However, TC intensities are significantly under-represented in the reanalyses compared to the observations. Applying a typical objective TC identification scheme, it is found that the largest uncertainties in TC identification occur for the weaker storms; this is exacerbated by uncertainties in the observations for weak storms and lack of consistency in operational procedures. For example, it is unclear whether certain types of storms, such as tropical depressions, subtropical cyclones and monsoon depressions, are included in the best track data for all reporting agencies. There are definite improvements in how well TCs are represented in more recent, higher resolution reanalyses; in particular MERRA2 is comparable with the NCEP-CFSR and JRA55 reanalyses, which perform significantly better than the older MERRA reanalysis

On the Structure and Scale of Cosmic Ray Modified Shocks

Strong astrophysical shocks, diffusively accelerating cosmic rays (CR) ought to develop CR precursors. The length of such precursor $L_{p}$ is believed to be set by the ratio of the CR mean free path $\lambda$ to the shock speed, i.e., $L_{p}\sim c\lambda/V_{sh}\sim cr_{g}/V_{sh}$, which is formally independent of the CR pressure $P_{c}$. However, the X-ray observations of supernova remnant shocks suggest that the precursor scale may be significantly shorter than $L_{p}$ which would question the above estimate unless the magnetic field is strongly amplified and the gyroradius $r_{g}$ is strongly reduced over a short (unresolved) spatial scale. We argue that while the CR pressure builds up ahead of the shock, the acceleration enters into a strongly nonlinear phase in which an acoustic instability, driven by the CR pressure gradient, dominates other instabilities (at least in the case of low $\beta$ plasma). In this regime the precursor steepens into a strongly nonlinear front whose size scales with \emph{the CR pressure}as $L_{f}\sim L_{p}\cdot(L_{s}/L_{p})^{2}(P_{c}/P_{g})^{2}$, where $L_{s}$ is the scale of the developed acoustic turbulence, and $P_{c}/P_{g}$ is the ratio of CR to gas pressure. Since $L_{s}\ll L_{p}$, the precursor scale reduction may be strong in the case of even a moderate gas heating by the CRs through the acoustic and (possibly also) the other instabilities driven by the CRs.Comment: EPS 2010 paper, to appear in PPC

Excited-state OH Mainline Masers in AU Geminorum and NML Cygni

Excited-state OH maser emission has previously been reported in the circumstellar envelopes of only two evolved stars: the Mira star AU Geminorum and the hypergiant NML Cygni. We present Very Large Array (VLA) observations of the 1665, 1667, and excited-state 4750 MHz mainline OH transitions in AU Gem and Expanded Very Large Array (EVLA) observations of the excited-state 6030 and 6035 MHz OH mainline transitions in NML Cyg. We detect masers in both mainline transitions in AU Gem but no excited-state emission in either star. We conclude that the excited-state OH emission in AU Gem is either a transient phenomenon (such as for NML Cyg outlined below), or possibly an artifact in the data, and that the excited state OH emission in NML Cyg was generated by an episode of enhanced shock between the stellar mass-loss and an outflow of the Cyg OB2 association. With these single exceptions, it therefore appears that excited-state OH emission indeed should not be predicted nor observable in evolved stars as part of their normal structure or evolution.Comment: ApJ Letter, accepted, 4 pages, 2 figure

Self-Organized States in Cellular Automata: Exact Solution

The spatial structure, fluctuations as well as all state probabilities of self-organized (steady) states of cellular automata can be found (almost) exactly and {\em explicitly} from their Markovian dynamics. The method is shown on an example of a natural sand pile model with a gradient threshold.Comment: 4 pages (REVTeX), incl. 2 figures (PostScript