2011 Poster Schedule
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Comprehensive Detection and Quantitation of Trace Amounts in Complex Matrices Using Ultra-High Resolution TOFMS
Presenters: Viatcheslav Artaev, Jeffrey S. Patrick, Kevin Siek, Joe Binkley, of LECO Corporation
Monday, June 6 – 10:30 am-2:30 pm
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Poster Hall, Poster #406
Characterization of the Compound-Dependent Mechanisms of APCI Using Ultra-High Resolution TOF Mass Spectrometry
Presenters: Matthew Giardina, Timothy Judkins, Viatcheslav Artaev, of LECO Corporation
Tuesday, June 7 – 10:30 am-2:30 pm
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Poster Hall, Poster #022
Differential Metabolomic Analysis of Corn Leaf Extracts by Liquid Chromatography - High Resolution Time of Flight Mass Spectrometry (LC-HRT)
Presenters: Jan Hazebroek, Chris Vlahakis, of Pioneer Hi-Bred International; Kevin Siek, Jeffrey Patrick, Joe Binkley, or LECO Corporation
Tuesday, June 7 - 10:30 am-2:30 pm
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Poster Hall, Poster #198
Characterization of Peppermint Essential Oils Grown in Different Areas by Gas Chromatography Ultra High Resolution Time-of-Flight MS (GC-HRT)
Presenters: Cory Fix, Joe Binkley, Kevin Siek, Jeffrey Patrick, of LECO Corporation
Tuesday, June 7 – 10:30 am-2:30 pm
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Poster Hall, Poster #088
Analysis of Persistent Organic Pollutants in Complex Matrices by Gas Chromatography – High Resolution Time-of-Flight Mass Spectrometry (GC-HRT)
Presenters: David Alonso, Joe Binkley, Kevin Siek, Viatcheslav Artaev, of LECO Corporation
Tuesday, June 7 – 10:30 am-2:30 pm
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Poster Hall, Poster #097
Characterizing Small Molecules in Biological Extracts using IntelliXtract Data Processing on High Resolution Accurate Mass Time-of-Flight Data
Presenters: Margaret Antler, Graham A. McGibbon, Vitaly Lashin, of ACD/Labs; Jeffrey S. Patick, Kevin Siek, of LECO Corporation
Tuesday, June 7 – 10:30 am-2:30 pm
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Poster Hall, Poster #197
Qualitative Comparison of Wine Process Samples with UHPLC and Ultra High Resolution TOF-MS
Presenters: Joe Binkley, Matthew Giardina, John R. Heim, Jeffrey Patrick, Kevin Siek, of LECO Corporation
Wednesday, June 8 – 10:30 am-2:30 pm
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Poster Hall, Poster #074
Characterization of Cannabinomimetic Compounds in Synthetic Cannabis Products by Gas Chromatography-High Resolution Time of Flight Mass Spectrometry (GC-HRT)
Presenters: Joe Binkley, Kevin Siek, Cory Fix, Viatcheslav Artaev, of LECO Corporation
Wednesday, June 8 – 10:30 am-2:30 pm
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Poster Hall, Poster #206
Accurate Mass HILIC-MS/MS for Metabolomics Analysis of Blood Plasma
Presenters: John Meissen, Massud Atta, Oliver Fiehn, Tobias Kind, of University of California-Davis; Kevin Siek, of LECO Corporation; Alessio Ceroni, of Genedata
Wednesday, June 8 – 10:30 am-2:30 pm
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Poster Hall, Poster #303
Accurate Isotopic Fine Structure and Relative Isotope Abundance by Ultra-High Resolution Time-of-Flight Mass Spectrometry for Confident Elemental Composition Determination
Presenters: Kevin Siek, Viatcheslav Artaev, Joe Binkley, Jeffrey Patrick, George Tikhonov, LECO Corporation; Mikhail Gavrik, of the Russian Academy of Science and MS Consulting Ltd.
Wednesday, June 8 – 10:30 am-2:30 pm
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Poster Hall, Poster #330
Comprehensive Metabolomic Profiling of Zucker Rat Plasma Using LC and GC Ultra-High Resolution Time-of-Flight Mass Spectrometry and GCxGC-TOFMS
Presenters: Jeffrey S. Patrick, Kevin Siek, Joe Binkley, Lee Ott, John Heim, of LECO Corporation
Thursday, June 9 - 10:30 am-2:30 pm
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Poster Hall, Poster #246
Utilization of GCxGC-TOFMS to Screen for Potential Metabolite Differences in Pooled Samples from Lean, Fat, and Obese Zucker Rat Plasma
Presenters: John R. Heim, Jeff Patrick, Joe Binkley, of LECO Corporation
Thursday, June 9 – 10:30 am-2:30 pm
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Poster Hall, Poster #253
Free Amino Acid Quantitation in Corn Leaf Tissue using Desorption Electrospray Ionization (DESI)
Presenters: Leah Riter, Susan MacIsaac, Wayne Brown, Ewa Urbanczyk-Wochniak, of Monsanto; Jeffrey Patrick, Kevin Siek, Viatcheslav Artaev, of LECO Corporation; Brian C. Laughlin, Joseph H. Kennedy, of Prosolia, Inc.
Thursday, June 9 – 10:30 am-2:30 pm
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Poster Hall, Poster #302
Characterization of Siderophores isolated from cell cultures using RPHPLC coupled to Ultra High-resolution Time-of-Flight Mass Spectrometry
Presenters: Nicholas Hall, Jeffrey Patrick, Kevin Siek, Joe Binkley, of LECO Corporation; Jeffrey P. Henderson, Kaveri Chaturvedi, Jan Crowley, of Washington University School of Medicine
Thursday, June 9 – 10:30 am-2:30 pm
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Poster Hall, Poster #335
Comprehensive Detection and Quantitation of Trace Amounts in Complex Matrices Using Ultra-High Resolution TOFMS
Abstract:
High resolution mass spectrometry has grown appreciably in use in the recent past, with availability of new instrumentation being a significant contributor to that growth. Recognition of the value of accurate mass data, ultra-high resolving power, and accurate isotope abundance in compound identification and formula determination has become ever more prominent. Simultaneously, the need for accurate global analysis of regulated compounds in complex matrices has created pressure on analytical chemists to apply better tools in the analysis of these compounds (i.e., environmental toxins). Accurate mass analysis and accurate relative isotope abundance provided by ultra-high resolution TOF serves as the framework for the development of a comprehensive method for the analysis of diverse compounds of environmental interest.
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Characterization of the Compound-Dependent Mechanisms of APCI Using Ultra-High Resolution TOF Mass Spectrometry
Abstract:
Since the inception of atmospheric pressure chemical ionization (APCI) almost 35 years ago, much has been learned in terms of fundamental processes. The complexity of the ionization process is a function of the gas-phase reactions that can occur, preceding the transfer of ions into vacuum and the chemical and physical properties of the molecules involved. Certain analytes can undergo reactions subsequent to the initial ion formation that can reduce signal intensity of the expected ion. In other cases, the ionization mechanism may be shown to be thermodynamically or kinetically controlled. In each of these cases, the appropriate conditions and geometry of the ion source can be selected to optimize signal intensity for the analytes of interest.
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Differential Metabolomic Analysis of Corn Leaf Extracts by Liquid Chromatography - High Resolution Time of Flight Mass Spectrometry (LC-HRT)
Abstract:
Differential metabolomic analysis of plant tissue is important for the development of crops with desirable traits such as increased yield. Metabolomics benefits from using a very sensitive and high resolution mass spectrometer capable of rapidly acquiring signals across a wide mass range, as both known and unknown analytes in these very complex samples may be biologically relevant. Trapping fourier-transformation type instruments have traditionally filled this role. Recent advances have enabled time-of-flight instruments to perform this type of analysis with equal facility. The economic importance of corn as a world-wide food, feed, and fuel crop makes it a relevant example for testing a high performance time-of-flight mass spectrometer for differential metabolomic analysis.
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Characterization of Peppermint Essential Oils Grown in Different Areas by Gas Chromatography Ultra High Resolution Time-of-Flight MS (GC-HRT)
Abstract:
Essential oils are hydrophobic liquids that consist of many components to create a complicated matrix which can create difficulty in isolating, identifying, and quantifying constituent analytes. Peppermint essential oils are used in many industries, including perfumes, food flavorings, alternative medicine, and environmentally-friendly insecticides. The capability to determine the identity and concentration of the various components that make up the oils are important in discovering active ingredients and maintaining quality control in products. Gas chromatography –Ultra-High Resolution Time-of-Flight Mass Spectrometry (GC-HRT) is a technique well-suited to analyzing complicated mixtures with semi-volatile organic compounds such as essential oils due to the chromatographic separation of analytes, complementing the powerful MS detector capable of providing 25,000 resolving power.
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Analysis of Persistent Organic Pollutants in Complex Matrices by Gas Chromatography – High Resolution Time-of-Flight Mass Spectrometry (GC-HRT)
Abstract:
Persistent organic pollutants (POPs) are halogenated organic compounds used for decades as pesticides and the manufacture of a variety of commercial goods. Unfortunately, these compounds bioaccumulate, and their unfavorable health and environmental effects have led to their regulation in many countries. Analysis of persistent organic pollutants in environmental or biological samples is challenging due to the wide range of concentrations in nature and because of reductions in signal sensitivities and inadequate chromatographic baselines induced by the major components in complex matrices. In addition, the analysis of POPs can be further complicated by coextracted lower halogenated substances and isomeric compounds. Many of these interfering compounds produce similar mass spectral data and can be present in higher concentrations than targeted compounds.
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Characterizing Small Molecules in Biological Extracts using IntelliXtract Data Processing on High Resolution Accurate Mass Time-of-Flight Data
Abstract:
To detect small molecules in biological extracts, LC/MS performed using high resolution time-of-flight with accurate mass analysis is a powerful technology. Together with advanced data processing algorithms and accurate mass and relative isotope abundance measurements, molecular formulae can be determined and compounds identified. Compounds excreted or secreted by organisms can reveal aspects of their normal metabolism or disease states. Illustrative examples include profiling of plasma to investigate the Zucker rat animal model of obesity/diabetes and probing of bacterial cultures for siderophores, compounds used to scavenge trace metals.
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Qualitative Comparison of Wine Process Samples with UHPLC and Ultra High Resolution TOF-MS
Abstract:
The evaluation, identification and quantitation of flavones, antioxidants and related nutrients, biogenic amines and potential contaminants in wine and other foodstuffs provides valuable information on their nutritional and health values. The transition of winemaking from an art to a more exacting science is dependent upon the detection and understanding of nutrient and flavor loss and accumulation during the processing. In addition, the ability to detect and quantify potential contaminant compounds such as biogenic amines, pesticides, herbicides, fungicides and phytotoxins is also of critical importance. In the present study, ultra-high resolution TOFMS with multiple reflections was utilized to generate fingerprints of several wines and their pre-harvest wine grape juices.
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Characterization of Cannabinomimetic Compounds in Synthetic Cannabis Products by Gas Chromatography-High Resolution Time of Flight Mass Spectrometry (GC-HRT)
Abstract:
"Herbal" synthetic cannabinoid products have garnered a great deal of media attention over the last several months. Countless products, often referred to as "incense" or "spice," are being sold at smoke shops, convenience stores, and online sites. These products are labeled "not for human consumption," but have been reported to have effects similar to cannabis when smoked. These reports have prompted testing in crime laboratories across the country. Some of the products tested have been confirmed to contain cannabinomimetic compounds which were initially developed to test cannabinoid receptors in the brain and other organs. Their identification by unit mass GC-MS instruments can be challenging, as most of these compounds are not present in commercially available mass spectral libraries.
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Accurate Mass HILIC-MS/MS for Metabolomics Analysis of Blood Plasma
Abstract:
Accurate mass information is critical for analyzing the wealth of metabolomics data. Besides mass accuracy, isotope ratio accuracy, MS and MS/MS spectral acquisition rate, and polarity switching, metabolomics data require powerful software for peak finding, mass spectral deconvolution, calculating elemental formulas, and comparisons of sample sets.
This research presents an unbiased exploration of the practical capabilities and limitations of the Agilent 6530 Q-TOF mass spectrometer and the LECO HRT mass spectrometer with their respective software packages in comparison to freeware data analysis software. In particular, the ability to obtain correct elemental formulas and MS/MS spectra as well as yielding acylcarnitines as biomarkers of physical training in unbiased metabolomics comparisons of mouse plasma was assessed.
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Accurate Isotopic Fine Structure and Relative Isotope Abundance by Ultra-High Resolution Time-of-Flight Mass Spectrometry for Confident Elemental Composition Determination
Abstract:
Ultra-high resolution time-of-flight mass spectrometers can resolve some isotopic fine structure while remaining less susceptible than trapping instruments to space-charge effects that can distort isotopic patterns. Accurate representation of isotopic patterns is key to confident assignment of elemental composition in many applications, including the identification of undesirable substances in environmental or food samples. This presentation discusses the use of an ultra-high resolution time-of-flight mass spectrometer to accurately record the isotopic fine structure of low-level analytes in the presence of intense co-eluting isobars. Cases where accurate representation of isotopic fine structure facilitates unambiguous assignment of elemental composition are shown, and a new metric for operational resolving power is discussed.
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Comprehensive Metabolomic Profiling of Zucker Rat Plasma Using LC and GC Ultra-High Resolution Time-of-Flight Mass Spectrometry and GCxGC-TOFMS
Abstract:
Mass spectrometry has been utilized extensively in the quantitative and qualitative profiling of biological fluids in models of disease. One such disease state is the Zucker rat model of diabetes and obesity. High resolution time-of-flight has been implemented to provide the level of detail needed to define the chemical formula and identity of metabolites detected in these experiments. The combination of complementary separation techniques such as GC and LC in conjunction with accurate mass analysis and accurate relative isotope abundance measurements are employed to provide a rigorous analysis of compounds which show upward and downward changes in concentration in normal versus diseased animals.
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Utilization of GCxGC-TOFMS to Screen for Potential Metabolite Differences in Pooled Samples from Lean, Fat, and Obese Zucker Rat Plasma
Abstract:
This GCxGC-TOFMS research presents the comparison of pooled derivatized plasma samples from lean, fat, and diabetic obese Zucker rats. The small molecule metabolite profiles from the different sample pools were compared for similarity in mass spectral identification, retention time, and analyte variation by peak area. The enhanced chromatographic resolution and peak capacity available with comprehensive two-dimensional chromatography allows the fast acquisition of TOFMS, up to 500 Hz, that will successfully acquire the data density needed to fully characterize low levels of metabolites common in complex sample matrices such as blood plasma. These complex and data rich files were processed with deconvolution algorithms, which deliver qualitative identification as well as multiple component quantification in a single run.
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Free Amino Acid Quantitation in Corn Leaf Tissue using Desorption Electrospray Ionization (DESI)
Abstract:
Since its introduction in 2004, desorption electrospray ionization (DESI) has been shown to be a rapid, sensitive and quantitative tool that has been applied for a variety of analytical challenges. However, this method is not routinely used in agricultural applications. This work is a case study to determine the utility of DESI for small molecule analysis in plant matrices. To examine the applicability of this high-throughput technique, the analytical performance of DESI for free amino acid analysis (FAA) in corn leaf tissue was compared to that of the previously validated HPLC-UV with o-phthaldialdehyde (OPA) derivatization method.
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Characterization of Siderophores isolated from cell cultures using RPHPLC coupled to Ultra High-resolution Time-of-Flight Mass Spectrometry
Abstract:
Siderophores are a class of compounds secreted by microorganisms with the purpose of complexing and scavenging trace metal ions from their environment for use by the microorganism. Characterization of siderophore represents a challenge owing to the presence of a metal ion with their unique isotope register and the complex organic nature of the compounds as well. The identification of the siderophore and its metal ion is an important aspect of understanding their role in metal ion utilization by the microbes. Reversed-phase UPLC and direct infusion analysis are combined to characterize siderophores isolated from bacterial cultures. Accurate mass and in-source CID analysis using a high-resolution time-of-flight mass analyzer (LC-HRT) employing a folded flight path provides details needed for structural identification.
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