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Over the past two decades the “one drug – one target – one disease” concept became the prevalent paradigm in drug discovery. The main idea of this approach is the identification of a single protein target whose inhibition leads to a successful treatment of the examined disease. The predominant assumption is that highly selective ligands would avoid unwanted side effects caused by binding to secondary non-therapeutic targets. In recent years the results of post-genomic and network biology showed that proteins rarely act in isolated systems but rather as a part of a highly connected network [1]. In addition this connectivity leads to more robust systems that cannot be interfered by the inhibition of a single target of that network and consequently might not lead to the desired therapeutic effect [2]. Furthermore studies prove that robust systems are rather affected by weak inhibitions of several parts than by a complete inhibition of a single selected element of that system [3]. Therefore there is an increasing interest in developing drugs that take effect on multiple targets simultaneously but is concurrently a great challenge for medicinal chemists. There has to be a sufficient activity on each target as well as an adequate pharmacokinetic profile [4]. Early design strategies tried to link the pharmacophors of known inhibitors, however these methods often lead to high molecular weight and low ligand efficacy. We present a new rational approach based on a retrosynthetic combinatorial analysis procedure [5] on approved ligands of multiple targets. These RECAP fragments are used to design a large combinatorial library containing molecules featuring chemical properties of each ligand class. The molecules are further validated by machine learning models, like random forests and self-organizing maps, regarding their activity on the targets of interest.
Chromatic, geometric and space charge effects on laser accelerated protons focused by a solenoid
(2011)
We studied numerically emittance and transmission effects by chromatic and geometric aberrations, with and without space charge, for a proton beam behind a solenoid in the laser proton experiment LIGHT at GSI. The TraceWin code was employed using a field map for the solenoid and an initial distribution with exponential energy dependence close to the experiment. The results show a strong effect of chromatic, and a relatively weak one of geometric aberrations as well as dependence of proton transmission on distance from the solenoid. The chromatic effect has an energy filtering property due to the finite radius beam pipe. Furthermore, a relatively modest dependence of transmission on space charge is found for p production intensity below 1011.
The use of hand gestures to point at objects and individuals, or to navigate through landmarks on a virtually created map is ubiquitous in face-to-face conversation. We take this observation as a starting point, and we demonstrate that deictic gestures can be analysed on a par with speech by using standard methods from constraint-based grammars such as HPSG. In particular, we use the form of the deictic signal, the form of the speech signal (including its prosodic marking) and their relative temporal performance to derive an integrated multimodal tree that maps to an integrated multimodal meaning. The integration process is constrained via construction rules that rule out ill-formed input. These rules are driven from an empirical corporal study which sheds light on the interaction between speech and deictic gesture.
Experimental results and theoretical predictions in laser acceleration of protons achieved energies of ten to several tens of MeV. The LIGHT project (Laser Ion Generation, Handling and Transport) is proposed to use the PHELIX laser accelerated protons and to provide transport, focusing and injection into a conventional accelerator. This study demonstrates transport and focusing of laser-accelerated 10 MeV protons by a pulsed 18 T magnetic solenoid. The effect of co-moving electrons on the beam dynamics is investigated. The unique features of the proton distribution like small emittances and high yield of the order of 1013 protons per shot open new research area. The possibility of creating laser based injectors for ion accelerators is addressed. With respect to transit energies, direct matching into DTL's seems adequate. The bunch injection into a proposed CH− structure is under investigation at IAP Frankfurt. Options and simulation tools are presented.
The superconducting CH-structure (Crossbar-H-mode) is a multi-cell drift tube cavity for the low and medium energy range operated in the H21-mode, which has been developed at the Institute for Applied Physics (IAP) of Frankfurt University. With respect to different high power applications two types of superconducting CH-structures (f = 325 MHz, β = 0.16, seven cells and f = 217 MHz, β = 0.059, 15 cells) are presently under construction and accordingly under development. The structural mechanical simulation is a very important aspect of the cavity design. Furthermore, several simulations with ANSYS Workbench have been performed to predict the deformation of the cavity walls due to the cavity cool-down, pressure effects and mechanical vibrations. To readjust the fast frequency changes in consequence of the cavity shape deformation, a new concept for the dynamic frequency tuning has been investigated, including a novel type of bellow-tuner.
This paper examines the apparently odd location of case-marking formatives found in the Pacific Northwest language, Coast Tsimshian. It first argues that the case-marking formatives are actually affixes on the preceding words, not prosodically-dependent words. Given this morphological analysis, a syntactic analysis is proposed that utilizes the 'informationally-rich' syntactic structure of HPSG. In particular, the analysis proposed uses EDGE features and chained identities between adjacent phrasal sisters to license the clause. This enables a simple analysis of the clausal syntax of Coast Tsimshian while still accounting for the wide array of facts surrounding the connectives.
A CW RFQ prototype
(2011)
A short RFQ prototype was built for RF-tests of high power RFQ structures. We will study thermal effects and determine critical points of the design. HF-simulations with CST Microwave Studio and measurements were done. The cw-tests with 20 kW/m RF-power and simulations of thermal effects with ALGOR were finished successfully. The optimization of some details of the HF design is on focus now. First results and the status of the project will be presented.
Beam measurements with the new RFQ beam matching section at the Frankfurt Funneling Experiment
(2011)
Funneling is a method to increase low energy beam currents in multiple stages. The Frankfurt Funneling Experiment is a model of such a stage. The experiment is built up of two ion sources with electrostatic lens systems, a Two-Beam-RFQ accelerator, a funneling deflector and a beam diagnostic system. The two beams are bunched and accelerated in a Two-Beam RFQ. A funneling deflector combines the bunches to a common beam axis. A new beam transport system between RFQ accelerator and deflector has been constructed and mounted. With these extended RFQ-electrodes the drift between the Two-Beam-RFQ and the rf-deflector will be minimized and therefore unwanted emittance growth reduced. After first rf measurements current work are beam tests with the improved Two-Beam-RFQ. First results will be presented.
The present paper proposes an analysis of the asymmetrical distribution of der, 'there', in embedded interrogative and relative clauses, respectively, in standard Danish. The analysis sets itself apart from previous analyses in integrating information structural constraints. We will show that the discourse function of the extracted subject in the clauses in question determines whether der insertion takes place in standard Danish. The analysis will further be shown to support the position that der in interrogative and relative clauses is an expletive subject filler, and that from an information structural point of view, the der in existential, presentational, passives and relative clauses is indeed the same der.
We review our knowledge of the phase diagram of QCD as a function of temperature, chemical potential and quark masses. The presence of tricritical lines at imaginary chemical potential m = i p 3 T, with known scaling behaviour in their vicinity, puts constraints on this phase diagram, especially in the case of two light flavors. We show first results in our project to determine the finite-temperature behaviour in the Nf = 2 chiral limit.