Mass spectrometry coupled to high-performance liquid chromatography (HPLC-MS) is evolving more quickly than ever. A wide range of different instrument types and experimental setups are commonly used. Modern instruments acquire huge amounts of data, thus requiring tools for an efficient and automated data analysis. Most existing software for analyzing HPLC-MS data is monolithic and tailored toward a specific application. A more flexible alternative consists of pipeline-based tool kits allowing the construction of custom analysis workflows from small building blocks, e.g., the Trans Proteomics Pipeline (TPP) or The OpenMS Proteomics Pipeline (TOPP). One drawback, however, is the hurdle of setting up complex workflows using command line tools. We present TOPPAS, The OpenMS Proteomics Pipeline ASsistant, a graphical user interface (GUI) for rapid composition of HPLC-MS analysis workflows. Workflow construction reduces to simple drag-and-drop of analysis tools and adding connections in between. Integration of external tools into these workflows is possible as well. Once workflows have been developed, they can be deployed in other workflow management systems or batch processing systems in a fully automated fashion. The implementation is portable and has been tested under Windows, Mac OS X, and Linux. TOPPAS is open-source software and available free of charge at http://www.OpenMS.de/TOPPAS .

We investigate the viability of highly efficient organic solar cells (OSCs) based on nonfullerene acceptors (NFA) by taking into consideration efficiency loss channels and stability issues caused by triplet excitons (TE) formation. OSCs based on a blend of the conjugated donor polymer PBDB-T and ITIC as acceptor were fabricated and investigated with electrical, optical and spin-sensitive methods. The spin-Hamiltonian parameters of molecular TEs and charge transfer TEs in ITIC e.g., zero-field splitting and charge distribution, were calculated by Density Functional Theory (DFT) modelling. In addition, the energetic model describing the photophysical processes in the donor-acceptor blend was derived. Spin-sensitive photoluminescence measurements prove the formation of charge transfer (CT) states in the blend and the formation of TEs in the pure materials and the blend. However, no molecular TE signal is observed in the completed devices under working conditions by spin-sensitive electrical measurements. The absence of a molecular triplet state population allows to eliminate a charge carrier loss channel and irreversible photooxidation facilitated by long-lived triplet states. These results correlate well with the high power conversion efficiency of the PBDB-T:ITIC-based OSCs and their high stability.

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<p class="MsoNormal" style="text-align: left; margin: 0cm 0cm 0pt;" align="left"><span class="text"><span style="font-family: ">This article investigates the transient behavior of experience-based admission control (EBAC) in case of traffic changes. EBAC is a robust and resource-efficient admission control (AC) mechanism used for reservation overbooking of link capacities in packet-based networks. Recent analyses gave a proof of concept for EBAC and showed its efficiency and robustness through steady state simulation on a single link carrying traffic with constant properties. The contribution of this paper is an examination of the memory from which EBAC gains its experience and which strongly influences the behavior of EBAC in stationary and nonstationary state. For the latter, we investigate the transient behavior of the EBAC mechanism through simulation of strong traffic changes which are characterized by either a sudden decrease or increase of the traffic intensity. Our results show that the transient behavior of EBAC partly depends on its tunable memory and that it copes well with even strongly changing traffic characteristics.</span></span></p>

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