Diffractive J/ΨJ/\Psi photoproduction at large momentum transfer in coherent hadron - hadron interactions at CERN LHC

The vector meson production in coherent hadron-hadron interactions at LHC energies is studied assuming that the color singlet $t$-channel exchange carries large momentum transfer. We consider the non-forward solution of the BFKL equation at high energy and large momentum transfer and estimate the rapidity distribution and total cross section for the process $h_1 h_2 \to h_1 J/\Psi X$, where $h_i$ can be a proton or a nucleus. We predict large rates, which implies that the experimental identification can be feasible at the LHC.Comment: 10 pages, 5 figures, 1 table. Version to be published in Physical Review

Exact kinematics in the small x evolution of the color dipole and gluon cascade

The problem of kinematic effects in the gluon and color dipole cascades is addressed in the large N_c limit of SU(N_c) Yang--Mills theory. We investigate the tree level multi-gluon components of the gluon light cone wave functions in the light cone gauge keeping the exact kinematics of the gluon emissions. We focus on the components with all helicities identical to the helicity of the incoming gluon. The recurrence relations for the gluon wave functions are derived. In the case when the virtuality of the incoming gluon is neglected the exact form of the multi-gluon wave function is obtained. Furthermore, we propose an approximate scheme to treat the kinematic effects in the color dipole evolution kernel. The new kernel entangles longitudinal and transverse degrees of freedom and leads to a reduced diffusion in the impact parameter. When evaluated in the next-to-leading logarithmic (NLL) accuracy, the kernel reproduces the correct form of the double logarithmic terms of the dipole size ratios present in the exact NLL dipole kernel. Finally, we analyze the scattering of the incoming gluon light cone components off a gluon target and the fragmentation of the scattered state into the final state. The equivalence of the resulting amplitudes and the maximally-helicity-violating amplitudes is demonstrated in the special case when the target gluon is far in rapidity from the evolved gluon wave function.Comment: 37 pages, 13 figure

Quantum quenches in the anisotropic spin-1/2 Heisenberg chain: different approaches to many-body dynamics far from equilibrium

Recent experimental achievements in controlling ultracold gases in optical lattices open a new perspective on quantum many-body physics. In these experimental setups it is possible to study coherent time evolution of isolated quantum systems. These dynamics reveal new physics beyond the low-energy properties usually relevant in solid-state many-body systems. In this paper we study the time evolution of antiferromagnetic order in the Heisenberg chain after a sudden change of the anisotropy parameter, using various numerical and analytical methods. As a generic result we find that the order parameter, which can show oscillatory or non-oscillatory dynamics, decays exponentially except for the effectively non-interacting case of the XX limit. For weakly ordered initial states we also find evidence for an algebraic correction to the exponential law. The study is based on numerical simulations using a numerical matrix product method for infinite system sizes (iMPS), for which we provide a detailed description and an error analysis. Additionally, we investigate in detail the exactly solvable XX limit. These results are compared to approximative analytical approaches including an effective description by the XZ-model as well as by mean-field, Luttinger-liquid and sine-Gordon theories. This reveals which aspects of non-equilibrium dynamics can as in equilibrium be described by low-energy theories and which are the novel phenomena specific to quantum quench dynamics. The relevance of the energetically high part of the spectrum is illustrated by means of a full numerical diagonalization of the Hamiltonian.Comment: 28 page

The evolution of transmission mode

This article reviews research on the evolutionary mechanisms leading to different transmission modes. Such modes are often under genetic control of the host or the pathogen, and often in conflict with each other via trade-offs. Transmission modes may vary among pathogen strains and among host populations. Evolutionary changes in transmission mode have been inferred through experimental and phylogenetic studies, including changes in transmission associated with host-shifts and with evolution of the unusually complex life cycles of many parasites. Understanding the forces that determine the evolution of particular transmission modes presents a fascinating medley of problems for which there is a lack of good data and often a lack of conceptual understanding or appropriate methodologies. Our best information comes from studies that have been focused on the vertical vs. horizontal transmission dichotomy. With other kinds of transitions, theoretical approaches combining epidemiology and population genetics are providing guidelines for determining when and how rapidly new transmission modes may evolve, but these are still in need of empirical investigation and application to particular cases. Obtaining such knowledge is a matter of urgency in relation to extant disease threats

Single bottom quark production in kT-factorisation

We present a study within the k T -factorisation scheme on single bottom quark production at the LHC. In particular, we calculate the rapidity and transverse momentum differential distributions for single bottom quark/anti-quark production. In our setup, the unintegrated gluon density is obtained from the NLx BFKL Green function whereas we included mass effects to the Lx heavy quark jet vertex. We compare our results to the corresponding distributions predicted by the usual collinear factorisation scheme. The latter were produced with Pythia 8.1

Structure-Based Discovery of A2A Adenosine Receptor Ligands

The recent determination of X-ray structures of pharmacologically relevant GPCRs has made these targets accessible to structure-based ligand discovery. Here we explore whether novel chemotypes may be discovered for the A(2A) adenosine receptor, based on complementarity to its recently determined structure. The A(2A) adenosine receptor signals in the periphery and the CNS, with agonists explored as anti-inflammatory drugs and antagonists explored for neurodegenerative diseases. We used molecular docking to screen a 1.4 million compound database against the X-ray structure computationally and tested 20 high-ranking, previously unknown molecules experimentally. Of these 35% showed substantial activity with affinities between 200 nM and 9 microM. For the most potent of these new inhibitors, over 50-fold specificity was observed for the A(2A) versus the related A(1) and A(3) subtypes. These high hit rates and affinities at least partly reflect the bias of commercial libraries toward GPCR-like chemotypes, an issue that we attempt to investigate quantitatively. Despite this bias, many of the most potent new ligands were novel, dissimilar from known ligands, providing new lead structures for modulation of this medically important target

A Computational Approach to Finding Novel Targets for Existing Drugs

Repositioning existing drugs for new therapeutic uses is an efficient approach to drug discovery. We have developed a computational drug repositioning pipeline to perform large-scale molecular docking of small molecule drugs against protein drug targets, in order to map the drug-target interaction space and find novel interactions. Our method emphasizes removing false positive interaction predictions using criteria from known interaction docking, consensus scoring, and specificity. In all, our database contains 252 human protein drug targets that we classify as reliable-for-docking as well as 4621 approved and experimental small molecule drugs from DrugBank. These were cross-docked, then filtered through stringent scoring criteria to select top drug-target interactions. In particular, we used MAPK14 and the kinase inhibitor BIM-8 as examples where our stringent thresholds enriched the predicted drug-target interactions with known interactions up to 20 times compared to standard score thresholds. We validated nilotinib as a potent MAPK14 inhibitor in vitro (IC50 40 nM), suggesting a potential use for this drug in treating inflammatory diseases. The published literature indicated experimental evidence for 31 of the top predicted interactions, highlighting the promising nature of our approach. Novel interactions discovered may lead to the drug being repositioned as a therapeutic treatment for its off-target's associated disease, added insight into the drug's mechanism of action, and added insight into the drug's side effects