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Institut
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.
The LANSCE linear accelerator at Los Alamos National Laboratory provides H− and H+ beams to several user facilities that support Isotope Production, NNSA Stockpile Stewardship, and Basic Energy Science programs. These beams are initially accelerated to 750 keV using Cockcroft-Walton (CW) based injectors that have been in operation for over 37 years. They have failure modes which can result in prolonged operational downtime due to the unavailability of replacement parts. To reduce long-term operational risks and to realize future beam performance goals in support of the Materials Test Station (MTS) and the Matter-Radiation Interactions in Extremes (MaRIE) Facility, plans are underway to develop a Radio-Frequency Quadrupole (RFQ) based front end as a modern injector replacement for the existing CW injectors. Our progress to date will be discussed.
Beam test of the direct plasma injection scheme (DPIS) is carried out successfully for the first time in China, by setting up a comprehensive test and research platform of RFQ and laser ion source. The C6+ beam is accelerated successfully, and the peak beam current reaches more than 6mA which is measured by a Faraday cup of unique structure. The RF power coupled into the RFQ cavity is also examined, and results reveal that it is the RF power of about 195kW that can produce the peak beam current.
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.
Accelerator Driven Systems (ADS) are promising tools for the efficient transmutation of nuclear waste products in dedicated industrial installations, called transmuters. The Myrrha project at Mol, Belgium, placed itself on the path towards these applications with a multipurpose and versatile system based on a liquid PbBi (LBE) cooled fast reactor (80 MWth) which may be operated in both critical and subcritical modes. In the latter case the core is fed by spallation neutrons obtained from a 600 MeV proton beam hitting the LBE coolant/target. The accelerator providing this beam is a high intensity CW superconducting linac which is laid out for the highest achievable reliability. The combination of a parallel redundant and of a fault tolerant scheme should allow obtaining an MTBF value in excess of 250 hours that is required for optimal integrity and successful operation of the ADS. Myrrha is expected to be operational in 2023. The forthcoming 4-year period is fully dedicated to R&D activities, and in the field of the accelerator they are strongly focused on the reliability aspects and on the proper shaping of the beam trip spectrum.
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.
n order to reach the desired intensities of heavy ion beams for the experiments at FAIR, SIS18 and SIS100 have to be operated with intermediate charge states. Operation with intermediate charge state heavy ions at the intensity level of about 1011 ions per cycle has never been demonstrated elsewhere and requires a dedicated upgrade program for SIS18 and a dedicated machine design for SIS100. The specific problems coming along with the intermediate charge state operation in terms of charge exchange processes at collisions with residual gas atoms, pressure bumps by ion induced desorption and corresponding beam loss appears far below the typical space charge limits. Thus, new design concepts and new technical equipment addressing these issues are developed and realized with highest priority. The upgrade program of SIS18 addressing the goal of minimum ionization beam loss and stable residual gas pressure conditions has been defined in 2005. A major part of this upgrade program has been successfully realized, with the result of a world record in accelerated number of intermediate charge state heavy ions.
How critical is criticality?
(2011)
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.