Digital Briefs

Software

XCMS is a new open-source program for accurate metabolite profiling. It is an LC/MS-based data analysis approach that incorporates novel nonlinear retention time alignment, matched filtration, peak detection, and peak matching. Without using internal standards, the method dynamically identifies hundreds of endogenous metabolites for use as standards and calculates a nonlinear retention time correction profile for each sample. Following retention time correction, the relative metabolite ion intensities are directly compared to identify changes in specific endogenous metabolites, such as potential biomarkers. XCMS is freely available for Windows or Macintosh under an open-source license at http://metlin.scripps.edu/download.

Un-Scan-It Gel 6.1 software turns a scanner into a high-speed densitometer and allows users to automatically analyze gel images at full scanner resolution. It works with any scanner, digital camera, or other image input device to digitize electrophoresis gels. In addition to the gel analysis features, the software also contains (x,y) digitizing and graphing features. The digitized gel and (x,y) data can be exported into most other software programs. The software is available for Windows and Macintosh. Silk Scientific, www.silkscientific.com

TT900 S2S is an advanced image alignment application used to generate high-quality 2-D image analysis results. The software corrects the various gel inconsistencies that occur when running and imaging 2-D electrophoresis gels. Once aligned to a very detailed level, images can be exported for traditional gel analysis. Nonlinear Dynamics, www.nonlinear.com

The Sentient Suite allows a user to assemble, view, analyze, annotate, and search disparate information in a common environment. The disparate data can be numeric values, images, spreadsheets, Web content, public or private databases, or information from applications such as structures and reactions in ISIS, analytical results (GC/MS, IR, and others), and Excel spreadsheets. Sentient runs on Windows in a server model for a large group or on a single workstation. IO Informatics, www.io-informatics.com

HyperChem for Mac is a molecular modeling environment that features OpenGL graphics for sophisticated rendering of molecules and properties. It has a full range of molecular mechanics and quantum mechanics methods. Electron densities for large proteins can be rapidly computed. It provides protein and DNA capabilities for modeling and manipulation with PDB files. Spectral computations include vibrational analysis and excited electronic states. HyperChem's model builder allows the user to just sketch a molecule. Any atom can be individually rendered. Hypercube, www.hyper.com

Online

ScienceResearch.com is a free, publicly available Internet portal allowing access to numerous scientific journals and public science databases. Students, teachers, professors, researchers, and the general public can access pertinent information quickly and easily. A single query will search thousands of high-quality journals and databases, effectively millions of documents, in real time. The results are ranked by relevance. Deep Web Technologies, www.scienceresearch.com

For Analytical Systems

Clarity Elemental Analysis software is designed for use with elemental analyzers that employ the technique of combustion gas chromatography. The software can acquire data from any elemental analyzer, up to four at a time, that is equipped with an analog data output. It allows a direct interface with the analytical balance and runs under Windows. DataApex, www.dataapex.com

New report generation software operates with DirectSense mobile PC-based monitors for indoor air quality (IAQ), air velocity, volatile organic compounds, particulates, and toxic gases. Detailed IAQ and general environmental reports can be generated for specific site surveys. GrayWolf Sensing, www.wolfsense.com

Vector 4.0 is a graphical user interface of application software for the MicroLab Star automation platform. It enables a scientist to set up various methods of liquid handling. Scheduling functions allow simultaneous processing and control of multiple arms for pipetting and labware relocation. Hamilton, www.hamiltonrobotics.com

Darwin LIMS is a commercial-off-the-shelf (COTS) laboratory information management system for pharmaceutical manufacturing R&D, quality control, and regulatory compliance. Dissolution, content uniformity, stability management, product management, batch management, and system interfacing are dedicated capabilities within Darwin. The software was created with the Microsoft .NET framework. Thermo Electron, www.thermo.com