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Comparing Additives and Other Extractables From Primary and After-Market Cell Phone Cases by High Resolution Gas Chromatography Time-of-Flight Mass Spectrometry
Christina Nieh, Jeff Patrick, and Joe Binkley

High resolution GC-TOFMS on the Pegasus GC-HRT allowed for quick and easy non-targeted screening of extractables from a common consumer product: the ubiquitous cell phone case. Most components could be identified with high similarity scores against commercial libraries. However, even when faced with low similarity scores against commercial libraries, such as in the case of Biphenol AF, the ability to rely on high mass accuracy allowed for confident identification of components.

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Exploring the Ionization Space in Traditional Electron Ionization with High Resolution GC=TOFMS for a Variety of Compound Classes
Jonathan D. Byer, David Alonso, Joe Binkley, Charles Lyle, and Jeff Patrick

-Source temperature was commonly the most significant variable for maximizing molecular ion peak area.
-Chromatographic peak shape was temperature dependant primarily for the non-volatile compounds.
-Ionization conditions were optimized to maximize molecular ion for a variety of compound classes.
-Ionization conditions do change the peak shape and peak area, which relates directly to library searchability.

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Utilization of Hydrogen Carrier Gas on a High Resolution GC-TOFMS System: An Application Compendium
Joe Binkley, David Alonso

GC-HRT methods utilizing hydrogen carrier gas were developed for analysis of representative specialty chemical, forensic, and metabolomic markets.

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Smart Sampling as a fully automated workflow for liquid injection and headspace GC and GC/MS
Douglas Doster, Roger Pearson, Ken Rice, Tom Flug, Brian Peat, Renzo Picenoni, Guenter Boehm

• To demonstrate a fully automated workflow for both liquid injection and headspace for GC and GC/MS.
• Automatically optimize analysis conditions and derivatization parameters.
• Automate standard preparation and derivatization procedures.
• Reduce analysts time involved in the analysis.
• Compare manual versus automated preparation of standards.

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Integrated platform including automated bligh and dyer extraction and dual-column
Emmanuel Varesio, Guenter Boehm, Sandra Jahn, Renzo Picenoni, Gérard Hopfgartner

• Automated Bligh and Dyer extraction for metabolomic studies.
• Dual-column UHPLC setup for the analysis of the polar and lipidic fractions.
• Alternating acidic and basic mobile phase for the separation of the polar fraction.
• Identification of unknown compounds by SWATH HR MS2 spectra acquisition.

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Automated protein digestion workflows for MS-based proteomics applications
Gunnar Dittmar1, Oliver Popp1, Guenter Boehm2, Andreas Bruchmann3

The PAL RTC provides an affordable and reliable platform optimised for medium-throughput peptide preparation for shotgun-proteomics based mass spectrometry.
Reduce hands-on time on repetitive work!
Increase consistency!
Increase reproducibility

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Gas Chromatography with Time-of=Flight Mass Spectrometry for Aroma Profiling
Elizabeth M. Humston-Fulmer, Lucas R. Chadwick, and Joe Binkley

This poster has demonstrated GC-TOFMS instrumentation applied to characterize beer-related samples. The ability to isolate and identify individual analytes through chromatographic resolution, mathematical deconvolution, and mass spectral searching to library standards provides good insight to various stages of production.

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Deciphering Regulatory Mechanisms in M. xanthus Using Isotopic Ratio Outlier Analysis (IROA) for Metabolome-wide Quantitation
Daniel Krug 1,2, Carsten Volz 1, Aiko Barsch 3, Chris Beecher 4, Felice de Jong 4, Rolf Müller 1,2

Comprehensive study of regulation in myxobacteria with an untargeted metabolomics setup using Isotopic Ratio Outlier Analysis (IROA) and UHR-Q-TOF

Reliable relative quantitation of known and unknown metabolites from a myxobacterial mutant strain in response to induction of the transcriptional antirepressor taA

Compound identification facilitated by the use of ultra-high resolution MS and the knowledge of the number of carbons in each molecule due to IROA

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Analyzing the GCMS amenable compounds in water matrices according to the European Water Framework directive ( 2013/39/EU)
Inge de Dobbeleer, Joachim Gummersbach, Paul Silcock

Purpose: An overview of the results of GC amenable compounds is given for EU 2013/39/EU
Methods: For the volatile compounds headspace GCMS was used; for the semivolatiles liquid liquid
extraction was applied followed by GCMSMS detection.
Results: The detection limits are calculated by standard deviation and there are some linearity examples. Not all compounds are listed in this poster, but a full list is available.

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Scientific News
Charting Kidney Cancer Metabolism
Changes in cell metabolism are increasingly recognized as an important way tumors develop and progress, yet these changes are hard to measure and interpret. A new tool designed by MSK scientists allows users to identify metabolic changes in kidney cancer tumors that may one day be targets for therapy.
Spotlight on Acoustic Liquid Handling
Journal of Laboratory Automation special issue highlights how acoustic liquid handling enables breakthrough innovations.
Microbes Take Their Vitamins
Scientists exploit organisms' needs in order to track 'vitamin mimics' in bacteria.
Keeping a Specimen's Story Straight
Imagine 96 people standing shoulder to shoulder, not touching and attempting to breathe only the air un-exhaled by the others. Sound impossible?
Portable Kit Can Recover Traces of Chemical Evidence
A chemist at the National Institute of Standards and Technology (NIST) has developed a portable version of his method for recovering trace chemicals such as environmental pollutants and forensic evidence including secret graves and arson fire debris.
Diagnosis of Two Rare Childhood Diseases Improved
For the first time, researchers have developed tests that could improve the diagnosis of two rare childhood diseases known as congenital disorders of glycosylation (CDGs) and metachromatic leukodystrophy, and that could even lead to new treatments for CDGs.
Cleaning Out the Membrane Each Day
Cell membranes are made up of a lipid bilayer that is constantly changing due to the flux of material in and out of the cell.
New Test for Cancer and Diabetes Biomarkers
University of Warwick researchers developed the test to help identify molecules in collagen.
Cooperating Bacteria Isolate Cheaters
Bacteria, which reciprocally exchange amino acids, stabilize their partnership on two-dimensional surfaces and limit the access of non-cooperating bacteria to the exchanged nutrients.
Novel Approach to Understanding Brain Function
Russell Poldrack scanned his brain to create the most detailed map of brain connectivity ever.
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