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Analyze IQ Ltd has released Version 1.2 of the Analyze IQ chemometrics software suite, which works with Windows 7 (32- and 64-bit) and earlier versions of Windows. A number of new file formats are supported, including JCAMP-DX, SpectroML and AIQ. New features include a model driven paradigm that separates model-building from model usage, so that you can package and deploy chemometric knowledge and analysis and storage of mixtures data.

The new SimPlus software from Perten Instruments allows users to monitor and administrate multiple DA 7200 instruments (on-site or remote installations) from one location, access data and results, update calibrations and create reports.

Thermo Fisher Scientific and Symyx Technologies are working on a joint product development to provide scientists in the bioanalytical community with an automated, secure and seamless laboratory workflow by integrating Thermo Scientific Watson LIMS with Symyx’s electronic lab notebook. www.thermo.com/informatics, www.symyx.com

Tags: Software

With the addition of the new Sadtler HNMR Chemical Shifts database from Bio-Rad, HaveItAll NMR now includes chemical shift data of 20,391 more compounds, each being identified by chemical name, solvent used in the analysis, instrument name, chemical structure, molecular formula and molecular weight.

Foss NIRSystems has introduced Service Pack 3 for Vision 3.50 and, at the same time, released DSP 27, which replaces DSP 26 and all previous versions.

The enhanced version of the HaveItAll UV-vis database from Bio-Rad now has an additional 4200 spectra included in its collection of UV-vis spectra, giving a current total of 13,930 spectra.

Tags: UVvis Software

The Sadtler ATR of Controlled and Prescription Drugs is a new database from Bio-Rad Laboratories containing 1161 ATR-IR spectra of controlled and prescription drugs and steroids.

Bio-Rad offers specialised editions of its KnowItAll system specially customised for spectroscopy and other areas of research. The latest release, Version 8.1 of the system, features improvements to its spectral mixture analysis tool.

Tags: Software

The NMR Metabolites database from Bio-Rad, with its collection of 1H and 13C NMR spectra, now includes 532 compounds with 1055 spectra from BioMagResBank data, which doubles the number of spectra previously in this collection of proteins, peptides and nucleic acids.

Bioinquire has received a grant from the US National Institute of Health for the continued development of their proteomics software suite, ProteoIQ. www.bioinquire.com

Tags: Software

Shimadzu Scientific has introduced SeqLab de novo sequencing software for use with their Axima line of MALDI mass spectrometers. With the software, researchers can use MS/MS data to find high-quality de novo sequences and tags for peptides from low- to high- energy CID MS/MS data, including data from the Performance ToF/Tof spectrometer. Additionally, the software uses related MS3 data, which provides more information and completes sequences across the length of the peptide.

Shimadzu Europa GmbH Issue: 21/05 RSN: 107 More information via

The updated Thermo Scientific Proteome Discoverer 1.1 software complements their new mass spectrometers, providing a comprehensive platform for the analysis of qualitative and quantitative proteomics data. The software includes enhanced capabilities for relative quantitation via isobaric labelling such as tandem mass tags, batch searching, automated processing via a daemon, improved handling of large datasets, support for MUDPIT experiments and the ability to merge data from multiple experiments.

Thermo Fisher Scientific Issue: 21/05 RSN: 117 More information via

Malvern Instruments has launched a 64-bit edition of the ISYs chemical imaging data analysis software which has applications across many technologies. It provides a single platform that supports the import of MIR, NIR and Raman imaging and mapping data files from a variety of vendors. It includes all the tools needed to understand chemical imaging data in spectral and spatial dimensions simultaneously.Malvern Instruments LtdIssue: 21/03 RSN:

The newest version of their LIMS software, has been unveiled by Thermo Fisher Scientific. This new version now includes a built-in data interchange with the company's TSQ Series mass spectrometers, enabling direct data acquisition, peak integration and reintegration, storage, archiving and reporting of raw data in a centralised database ­repository.Thermo Fisher ScientificIssue: 21/03 RSN:

Version 6.0 of Thermo Fisher Scientific's Mass Frontier software is now available offing new features for the management, evaluation and interpretation of MSn spectra. This software is applicable to small molecule structure elucidations in applications such as metabolite identification and impurity analysis in pharmaceutical and toxicology studies.Thermo Fisher ScientificIssue: 21/03 RSN:

Waters has introduced eight new workflow enhancements for their MassLynx software. These are the Posi±ive system for high throughput screening of complex food safety, water quality and environmental samples; the BiopharmaLynx 1.2, to increase confidence in peptide characterisation; Quanpedia, QCMonitor and TrendPlot which are critical components of the Xevo TQ MS quantitative workflow solution software are now available for a broader range of the company's mass spectrometers; the latest version of OpenLynx Open Access for reducing analysis time and increasing productivity; clinical pathology laboratories will benefit from automated workflows for UPLC/MS/MS which include seamless HL7 LIMS integration; MetaboLynx XS and MarkerLynx XS are now available on all Waters MS systems; Protein Global Server 2.4 is available for nanoAcquity 2D UPLC/MSE while data are now also interchangeable with Pride, Scaffold and mzML; DriftScope 2.1, which features ion mobility spectrometry, peak detection, visualisation and comparison with collision cross-section determination for their Synapt High Definition MS system and the new Synapt G2 HDMS system.Waters CorporationIssue: 21/03 RSN:

Agilent Technologies has introduced the Agilent G6855 MassHunter Forensic and Toxicology Database, enabling users to quickly identify more than 7500 compounds with confidence, based on liquid chromatography/mass spectrometry data. The database includes software for searching, editing and creating user-customisable content. It also features a ranking and scoring algorithm that assigns a confidence level for each match. The database also accommodates the addition of LC retention times, which, combined with accurate mass results, provides increased confidence when confirming compound identity. A database for pesticides is also available.

Agilent Technologies Issue: 21/02 RSN: 150

Proxeon has added new functionalities to ProteinCenter, their proteomics data interpretation tool. Direct integration of the KEGG pathway repository enables researchers to link identified proteins directly to the biological pathways in which they are involved, whilst improvements in handling quantitative proteomics data enable differentially expressed proteins to be correlated with biological information. Technical enhancements have increased the speed with which multiple datasets are imported into ProteinCenter.

Proxeon Biosystems AS Issue: 21/02 RSN: 158

Umetrics has announced the release of its SIMCA Batch On-Line Version 3.3, a multivariate analysis software package, which performs batch process monitoring and MSPC and provides an easy to interpret batch fingerprint for the running batch. This version, which is compatible with SIMCA-P+, Version 12, allows comparisons between a running batch and a training set batch, plotting of two process variables on the same chart and has improved memory use and catch-up functionality.

Umetrics Inc Issue: 21/01 RSN: 124

Thermo Fisher Scientific has announced the launch of MetWorks 1.2, an updated version if its metabolite identification software. MetWorks is a data-mining tool for small molecules that can be used to search and identify a variety of metabolites with accuracy and confidence. The new software features a new graphical user interface (GUI) which uses multiple mass defect filters (MMDF), an improved way of using high- resolution mass date to obtain a smaller, more refined data set for review. The interactive MMDF GUI displays the distribution of parent and potential metabolites and allows both novice and expert users to mine the data in a quick and easy manner. Combined with high-resolution data from a Thermo Scientific LTQ Orbitrap mass spectrometer, MetWorks facilitates extraction of low levels of metabolite ions, even when they are three to four orders of magnitude less abundant than the background matrix ions, thus providing an enhanced signal-to-noise ratio. This latest version of the software also features a new concise summary report that conforms to industry standards, as well as providing accurate mass analysis data (with ppm values). Additionally, there are new Analyte and Modification Managers, which automatically calculate accurate masses for parent compounds and potential biotransformations using standard molecular formulae.

Thermo Fisher Scientific Issue: 21/01 RSN: 125