New Software and Cloud Solutions Provide Users with Advanced Customization

Researchers looking to simplify compound identification, quantitation and complex data analysis now have access to a wide range of software and cloud solutions designed to allow users to analyze, share and discover unique insights in several applications, including proteomics, metabolomics, food safety and biopharmaceutical characterization.

Built with customization in mind, Thermo Fisher Scientific’s life sciences software aims to provide researchers with the tools and capabilities needed to define their optimal workflows and the flexibility to conduct research in the manner they choose. The Thermo Fisher Cloud—a powerful computing platform that connects scientists, instruments and software in a collaborative, multi-disciplinary environment, anywhere and anytime—has expanded to enable users to monitor instrument performance and integrate multi-omics data. In addition, the Thermo Fisher Cloud now allows for the development of new routine workflows that can take advantage of online content and provide the ability to track, interrogate and mine all data across multiple instruments, labs and sites.

The full suite of life sciences software and Thermo Fisher Cloud solutions was displayed at the 64th American Society of Mass Spectrometry (ASMS) Conference on Mass Spectrometry and Allied Topics in San Antonio at the Henry B. Gonzalez Convention Center.

“Whether it is determining the identity of a contaminant in baby formula or tackling some of the most challenging problems in life sciences research, scientists need to be able to share information and mine large amounts of data to gain the insights needed to accelerate solutions,” said Mark Sanders, senior director, software platform management, life sciences mass spectrometry at Thermo Fisher. “For this reason, we are moving forward aggressively our Thermo Fisher Cloud technology, but we also realize that the adoption of cloud-based computing will vary by industry and application. We understand the importance of fostering a hybrid environment as needs evolve, and our goal is to provide software solutions that can be deployed on the cloud or locally in the lab.”

The following software and cloud solutions were launched at the conference:

• The Thermo Scientific TraceFinder 4.1 software is an easy-to-use, workflow-driven solution for quantitation and screening of both small and large molecules. The newly updated version offers support for peptide/protein quantitation, including a predictor tool to aid with method set up and enhanced data displays to facilitate throughput for data review. A new high-resolution accurate mass (HRAM) library and searching algorithms for targeted screening are also included.
• Thermo Scientific Compound Discoverer 2.0 Software is an integrated solution for small molecule identification and characterization using high resolution accurate mass (HRAM) Orbitrap data. Designed for a range of applications including metabolomics, drug metabolism, environmental, food research and toxicological studies, the software provides powerful untargeted and targeted workflows. Differential analysis, interactive statistics and visualization tools allow for in-depth analysis of large datasets, with identification of compounds coming from multiple sources including the mzCloud online spectral library.
• The Thermo Scientific Proteome Discoverer 2.1 Platform offers comprehensive data analysis for quantitative and qualitative proteomics research using a distinctive node-based processing framework. The new version of this platform incorporates additional support for analyzing large data sets, an updated user interface for quantitative ratios and enhanced capabilities for TMT quantitation workflows.
• Specifically designed for in-depth characterization of biotherapeutic proteins, Thermo Scientific BioPharma Finder 1.0 Software provides an integrated workflow-driven interface for comprehensive and easy interpretation of biologics. This new solution automates the analysis of peptide digests and intact proteins, providing relative quantitation of proteins, sequence variants, disulfide bonds and low level modifications.
• The Thermo Scientific LipidSearch 4.1 Software provides an automated solution for the identification and relative quantitation of lipids. This latest release includes an enhanced database, improved lipid annotation and supports HCD and CID data in the same search.
• Combining a highly curated collection of high resolution/accurate mass MS/MS and MSn spectra, the updated mzCloud™ Advanced Mass Spectral Database* provides a different approach to mass spectral fragmentation libraries. The new version of the database is equipped with twice the amount of compounds as the previous version, triple the number of spectra and automatic batch search tools to offer a remarkable amount of fragmentation information.

In addition to the new products released at ASMS, Thermo Fisher also previewed the following applications developed to further enhance capabilities of the Thermo Fisher Cloud:

• Pathway Over-representation – This new cloud-based project explores the use of statistical analysis to detect biological pathways that are either over- or under-represented in a list of input proteins or genes. Using software such as the Thermo Scientific Proteome Discoverer, the occurrence of biomolecules in a specific protein pathway can be analyzed against the frequency of biomolecules from a species-reference to identify significant pathways.
• Sample Profiler – Using cloud-based software, this project aims to enable users to build their own “product” profile of both known and unknown components. Having determined an “authentic” profile, new samples can be easily compared and component outliers identified. Users can determine trends and differences for a number of applications including long-term monitoring of water sources for contaminant identification, adulteration of food products, and identification of potential doping agents in a biological matrix.
• MS Instrument Connect – This new tool enables researchers to monitor their MS instruments and lab productivity remotely. The solution provides an at-a-glance dashboard for a quick overview of the instruments’ status, detailed real-time instrument viewing, sequence progress and errors, and cloud-enabled data storage for uploading raw data.