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Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery
Richard Lee,1 Vitaly Lashin,2 Andrey Paramonov,2 Alexandr Sakharov,2 Alexey Aminov2

A discussion of a new informatics solution that addresses common challenges in metabolite identification and characterization--from LC/MS data processing and metabolites prediction to reporting and databasing of assembled biotransformation knowledge.

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Accurate Mass Spectral Database: Harnessing the Power of High Performance Mass Spectrometry at Long Last
Lorne Fell, Viatcheslav Artaev, Kevin McNitt, Steve Robles, Albert Lebedev

Standard mixtures comprising of alkanes, PAHs, semivolatiles, and pesticides were analyzed using a high resolution time-of-flight (HRTOF) mass spectrometer—Pegasus GC-HRT (LECO Corporation, Saint Joseph,MI)—at 10 spectra-per-second (m/z40–300) in high resolution mode (25,000 at FWHH). The resulting chromatographic peaks were automatically found, deconvoluted, and curated into an Accurate Mass Library (AML).

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Automated Sample Preparation of Whole Blood for Therapeutic Drug Monitoring and Diagnostics by LC-MS using a Commercial Autosampler
Christian Berchtold1, Irene Wegner1,Timm Hettich1, Reto Bolliger2, Guenter Boehm2, Goetz Schlotterbeck1

In this poster the parameters necessary to automatically prepare whole blood samples for online LC-MS applications in the field of diagnostics and TDM have been investigated. A strategy and the most important parameters are shown for the optimization of a PAL RTC autosampler
for the preparation of whole blood samples.

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Development and Application of Quantitative Immunoassays for Major Milk Allergens Bos d 5 (ß-lactoglobulin) and Bos d 11 (ß-casein)
1Ross A. R. Yarham, 1Anna Kuklinska-Pijanka MSc, 1David Gillick, 1Elizabeth Young, 2Karine Adel Patient PhD, 2Hervé Bernard PhD, 1Martin D. Chapman PhD, 1James P. Hindley PhD

In this study, we sought to develop accurate, sensitive and reliable assays that would enable quantification of multiple milk allergens.

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A Unified Software Platform for Laboratory Informatics
Graham A. McGibbon, Hans de Bie, David Hardy, Ryan Sasaki, Patrick Wheeler, Carol Preisig

Reported here are capabilities in automated workflows involving analytical data with chemical structures. Specifically described is automated homogenization of data from a set of instruments, including NMR structure verification, as one solution.

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Instrumental Investigations: A Laboratory Manual of Forensic Analytical Chemistry
Robert Q. Thompson

A laboratory manual for undergraduate analytical and forensic chemistry courses

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Determination of C2-C12 Aldehydes in Water by SPME Arrow On-Fiber Derivatization and GC/MS
Peter Egli, Beat Schilling, Guenter Boehm, Kai Schueler

A method applying SPME Arrow extraction and on-fiber derivatization for the quantitation of C2-C12 aldehydes in water by GC/MS is described.

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Assessing Diversity in Cassava through the Application of Metabolomics
Margit Drapala, Elisabete Carvalhoa, Laura Perez-Fonsa, Elliott Pricea, L. Augusto Becerra Lopez-Lavalleb, Paul D. Frasera

In the present study metabolomic platforms have been established for Cassava and used to assess the biodiversity present in Cassava germplasm collections and elucidate underlying biochemical mechanisms associated with traits of interest.

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A KNIME Pipeline for the Analysis of GC-MS Data in Metabolomics
Sonia Liggi1, Maria Laura Santoru1, Cristina Piras1, Antonio Murgia2, Pierluigi Caboni2, Luigi Atzori1

A KNIME pipeline was developed to perform pre-processing of GC-MS data in an automated way and applied to a Inflammatory bowel diseases case study

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PredRet: Prediction of Retention Time by Direct Mapping between Multiple Chromatographic Systems
Jan Stanstrup, Steffen Neumann, Urška Vrhovšek

Retention time (RT) information is under-utilized in LC-MS based metabolomics and sharing of RTs between systems is not currently possible. PredRet is a new system that allows highly accurate mapping and prediction of RTs between LC systems.

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Showing Results 1 - 10 of 196
Scientific News
Diverse Fungi Secrete Similar Suite of Decomposition Enzymes
A recent study reveals different fungal species secrete a rich set of enzymes that share similar functions, despite species-specific differences in the amino acid sequences of these enzymes.
Misfiring Drugs Hit the Wrong Targets
Anti-HIV protein inhibitor drugs can bind to the wrong protein, causing unwanted side effects.
Spotting Falsified, Degraded Medications
A team of researchers has developed a simple, inexpensive paper-based device to screen suspicious medications.
Comparing Fungal Secretions
Their unassuming appearances may cause them to be overshadowed by the plants or animals in their natural habitats, but fungi play key roles in maintaining their ecosystems.
Ginger Nanoparticles Heal Bowel Disease
Lab team spins ginger into nanoparticles to heal inflammatory bowel disease.
How Cloud Connectivity Can Combat the Reproducibility Crisis
This infographic explains the reproducibility crisis, and how cloud connectivity can help overcome this problem.
Method To Study Critical HIV Protein Developed
Researchers at Sandia National Laboratories and Northeastern University have developed a new technique to study how a critical HIV protein changes shape.
Mitochondrial Maps Reveal New Connections to Poorly Understood Diseases
Mitochondria are the engines that drive cellular life, but these complex machines are vulnerable to a wide range of breakdowns, and hundreds of their component parts remain a functional mystery.
JPK NanoWizard® Applied to a Wide Range of Research
The NanoWizard® AFM from JPK is applied for interdisciplinary research at the University of South Australia for applications including smart wound healing and how plants can protect themselves from toxins.
New Centre Offers Ultra-Speed Protein Analysis
UW-Madison researchers to establish development centre for next-gen protein measurement technologies.
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