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Automatic Characterization of Lipids Using Charge Remote Fragmentation Ions and Peaks Characteristic of Fatty Acid Fragmentation From MALDI MS/MS Data
Ningombam Sanjib Meitei*(1); Arun Apte(2); Dietmar Waidelich(3); Fadi Abdi(4); Matthias Glueckmann(3)

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

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Automatic Characterization of Lipids Using Charge Remote Fragmentation Ions and Peaks Characteristic of Fatty Acid Fragmentation From MALDI MS/MS Data
Ningombam Sanjib Meitei*(1); Arun Apte(2); Dietmar Waidelich(3); Fadi Abdi(4); Matthias Glueckmann(3)

Automated identification of lipids using CRF ions and high energy MS/MS fragment ions and novel software.

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Coping with BIG DATA Image Formats: Integration of CBF, NeXus and HDF5, A Progress Report
Herbert J. Bernstein,[1] Jonathan M. Sloan,[2] Graeme Winter,[2] Tobias S. Richter,[2] NeXus International Advisory Committee,[3] Committee on the Maintenance of the CIF Standard[4]

The best of CBF/imgCIF (the Crystallographic Binary File, which has a complete description of the experiment), NeXus (a common data framework for neutron, X-ray and muon science, which gracefully handles large data sets) and HDF5 (Hierarchical Data Format, version 5, the high-performance data format used by NeXus) are being combined for the management of BIG DATA at synchrotrons.

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Design of Mixed-Criticality Applications on Distributed Real-Time Systems
Domit?ian Ta?mas?-Selicean and Paul Pop

In this thesis, we are interested in mixed-criticality applications (both in the safety and time domains) implemented using heterogeneous processing elements (PE) interconnected using TTEthernet. We address the problem of synthesizing mixed-criticality applications on partitioned architectures, at the PE level and at the communication level.

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ChemoSoft: a new chemometric software for non-chemometricians
Christophe B.Y. Cordella

Professional applications such as those provide by some software editors and free downloadable toolboxes developed for Matlab®, R, Octave or Scilab propose many computation tools. But, to our best knowledge, very few are usable by neophytes or anyone that are not skilled with chemometrics or statistics. ChemoSoft is the first chemometric software designed for non-chemometricians.

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Rapid Identification of Microorganisms by Touch Spray and Paper Spray Ambient Ionization
Ahmed M. Hamid, Alan K. Jarmusch, Valentina Pirro and R. Graham Cooks

The rapid and accurate identification of microorganisms is necessary in order to improve public health. Molecular-based identification allows for rapid patient treatment and provides more accurate diagnoses, two crucial aspects for successful treatment, yet a great challenge. In this work PS-MS, an existing ambient method, and TS-MS, a newly developed technique, are being utilized in the rapid discrimination of microorganisms (<2 min).

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Molecular Dynamics Simulation Study of Pulmonary Surfactant Interacting With Nanoparticles

MD simulation studies using NAMD of lipid bilayers supported on alpha-quartz (nanoparticles) and kaolinite with explicit water molecules will be presented to understand the physiochemical effects of nanoparticles on pulmonary surfactant.

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Identification and Characterization of Strain Specific Drug Target by Subtractive Genome Analysis of Methicillin Resistance Staphylococcus aureus
Kiran Saeed and Reaz Uddin

This study aimed to identify and characterize strain specific essential protein targets, which will eventually help in the identification of druggable proteins in two strains of MRSA by using different Bioinformatic tools and databases. We adopting a subtractive genome approach within the domain of Computational Biology.

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Reaxys Xcelerate – Less Searching. More Discovery
Keshav Dutt Sharma

Reaxys Xcelerate is a new premium version of Reaxys. Reaxys is a web based workflow tool for synthetic chemists. It is designed to support the optimization of synthetic processes and offers a valuable resource for accurate & validated experimental reaction & substance data.

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