4th International Conference on Proton Transfer Reaction Mass Spectrometry and its Applications

326 Pages·2009·5.377 MB·English

by  Tilmann D. Märk, Birgit Holzner

CONFERENCE SERIES
Series Editors: Tilmann D. Märk, Birgit Holzner
iup • innsbruck university press
Local Organizing Committee:
Armin Hansel
Sandra Naschberger
Martin Breitenlechner
Jürgen Dunkl
© innsbruck university press, 2009
Universität Innsbruck, Vizerektorat für Forschung
1st edition
All rights reserved.
Cover design: Gregor Sailer
Produced: Fred Steiner, Rinn – Book on Demand
www.uibk.ac.at/iup
ISBN 978-3-902571-99-1
4th International Conference on Proton Transfer Reaction
Mass Spectrometry and its Applications
Contributions
Editors:
Armin Hansel
Jürgen Dunkl
Institut für Ionenphysik und Angewandte Physik
der Leopold-Franzens-Universität Innsbruck
Technikerstr. 25
A-6020 Innsbruck, Austria
Obergurgl, Austria
February 16th – February 21st, 2009
PROTON TRANSFER REACTION - MASS SPECTROMETRY
EXPERIENCE INCREDIBLE PERFORMANCE...
IONICON Analytik presents:
Ultra-Sensitive, Real-Time VOC Detector
High-Resolution Time of Flight MS
Detection Limit < 10 pptv
Resolution up to 7000 m/(cid:507)m (FWHM)
Mass Range up to 50,000 amu
Full Mass Range Acquisition in a Split-Second
...AND GET EXTRAORDINARY RESULTS
Learn more about the IONICON HRS PTR-TOF-MS
from the abstract “A Commercial High-Resolution,
High-Sensitivity (HRS) PTR-TOF-MS Instrument” in this book.
w w w . P T R M S . c o m
Technikerstrasse 21a | A-6020 Innsbruck | Austria | Tel.: [phone] | Fax.: [phone] | Email: [email protected] | www.PTRMS.com
THE SOLUTION FOR ONLINE TRACE GAS ANALYSIS
NEW High-Temperature PTR Drift Tube for all*
IONICON PTR-MS instruments
Heatable up to 200°C
2.5 Times Faster Gas Exchange Frequency
Immediate Reaction Direct Heating System
Faster Response Times Especially for “Sticky” Compounds
QQuuaadd
Discover the new IONICON HT PTR Drift Tube,
now improving all* IONICON PTR-MS systems,
and see the abstract: “Better Response-Times
with a New High-Temperature PTR Drift Tube”.
*Available as optional configuration with new PTR-MS instruments and as an upgrade for most existing PTR-MS systems. Patent pending.
w w w . P T R M S . c o m
Technikerstrasse 21a | A-6020 Innsbruck | Austria | Tel.: [phone] | Fax.: [phone] | Email: [email protected] | www.PTRMS.com
Providing Expert Solutions for Trace Gas Analysis
Zero-Air Generation
Gas Calibration
simple, automated calibration routine
VOC-free (zero) air generation
portable, standalone device
particularly suited for use with PTR-MS
Versions available
GCU-b: no humidity control (ambient/cylinder air humidity)
GCU-s: variable dry/humid conditions
GCU-a: variable dry/increased humidity, plus CO admixing
2
Specifications
Calibration range:
0.2-250 ppbv (with IONIMED standard gas at ~1 ppmv per compound)
Dilution range:
1:5000 - 1:4 (standard gas flow : zero-air dilution flow)
Zero-air flow:
0.06-2.00 l min-1
Humidity range:
25-95% RH at ambient temp (GCU-s) / up to 38°C (GCU-a) / (not GCU-b)
CO admixing:
2
0-10% v/v (GCU-a only)
www.IONIMED.com
Technikerstrasse 21a | A-6020 Innsbruck | Austria | Tel.: [phone] | Fax.: [phone] | Email: [email protected] | www.IONIMED.com
Providing Expert Solutions for Trace Gas Analysis
PTR-MS: a powerful tool
Simply Breath-Taking for breath analysis
Exhale Exhale Exhale
Inhale Inhale Inhale Inhale
PTR-MS med System:
Simplifying your breath gas research
med System includes:
High-Sensitivity PTR-MS device
online breath sampling system (patent pending)
calibration device
customized data acquisition / evaluation software
System tested in clinical trials
PTR-MS med System:
Available for
purchase or rental
www.IONIMED.com
Technikerstrasse 21a | A-6020 Innsbruck | Austria | Tel.: [phone] | Fax.: [phone] | Email: [email protected] | www.IONIMED.com

Contents

Foreword ................................................................................................................................... 15

1. Plenary Session
Emissions and Chemistry of Atmospheric VOCs: NewInsights from PTR-MS
Measurements Onboard Research Aircraft and from a Tall Tower
Joost de Gouw, Carsten Warneke .......................................................................................... 18

Mass spectrometry in Medicine
Jochen K. Schubert, Wolfram Miekisch, Patricia Fuchs, Sabine Kischkel,
Maren Mieth, Henny Usmawati ............................................................................................. 22

Dynamic flavour analyses using direct MS
Andrew J Taylor, Rebecca Cordell and Robert ST Linforth ................................................. 24

Application of PTR MS in bioprocess monitoring for the production of recombinant proteins
Markus Luchner, Norbert Auer and Karl Bayer .................................................................... 29

2. Applications in Medicine and Biotechnology
Compounds found in exhaled breath of patients suffering from lung cancer
Amann A, Bajtarevic A, Ager C, Schwarz K, Pienz M, Klieber M, Denz H,
Fiegl M, Hilbe W, Weiss W, Lukas P, Jamnig H and Hackl M ............................................ 32

The Viability of Real-Time and Non-Invasive Breath Analysis for Disease Screening
M E O’Hara and C A Mayhew .............................................................................................. 37

Factors affecting breath gas analysis
Bhushan Thekedar, Wilfried Szymczack, Vera Höllriegl, Christoph Hoeschen,
Uwe Oeh, Herwig Paretzke .................................................................................................... 42

Online breath sampling with PTR-MS – A setup for large screening studies
Jens Herbig, Michael Seger, Ingrid Kohl, Gregor Mayramhof, Thorsten Titzmann,
Andreas Preinfalk, Klaus Winkler, Jürgen Dunkl, Bernhard Pfeifer,
Christian Baumgartner and Armin Hansel ............................................................................. 46

Analysis of tuberculosis using PTR-MS
Frans J. M. Harren, Elena Crespo, Marco Steeghs, Simona Cristescu, Arend H. J. Kolk ..... 51

3. Applications in Food Science
Intranasal concentrations of flavors
Hummel T, van Ruth S, Heilmann S, Kriukova I, Frasnelli J ................................................ 54

Use of PTR-MS to predict the shelflife of crackers
Maria Angeles Pozo-Bayón, Jean-Paul Schirlé-Keller, Gary A. Reineccius ......................... 55

Characterising human perception: when physiology deceives analytics
Andrea Buettner, Jonathan Beauchamp ................................................................................. 56

Release of berry and citrus aroma compounds from chewing gum
Kai Sostmann, Rajesh Potineni, Eugene McMillan and Robert N. Antenucci ...................... 61
Coffee Roasting: Exploring the Impact of the Time-Temperature Profile on
the Formation Kinetics of Volatile Organic Compounds by PTR-MS
Chahan Yeretzian, Philippe Pollien and Martin Graus .......................................................... 66

PTR-MS in food authentication
Saskia van Ruth, Alex Koot ................................................................................................... 72

Chemometrics in food research: A new concept of untargeted chemometric profiling of coffee
Christian Lindinger, Philippe Pollien, Ric de Vos, Charles Lambot,
Andreas Rytz and Imre Blank ................................................................................................ 74

Unilever Perspective on Implementation and Application of PTR-MS in Food Research
Aldo Ziere and Lionel Jublot .................................................................................................. 80

Application of PTR-MS to measure perceived freshness of model cakes varying
in different sweetener, fat types and shelf-life
Samuel Heenan, Nazimah Hamid, Jean-Pierre Dufour, Winna Harvey, Conor Delahunty ... 81

Real-Time Insights into Complex Phenomena in Food Science by PTR-MS –
Formation of Furan
Imre Blank, Julia Märk, Philippe Pollien, Christian Lindinger and Tilmann Märk ............... 86

4. Applications in Enviromental Science
PTR-MS in smog chamber research - a review
Armin Wisthaler ..................................................................................................................... 94

Recent PTR-MS activities at NIES: Instrumentation and field measurements
Hiroshi Tanimoto, Satoshi Inomata, Sohiko Kameyama and Urumu Tsunogai .................... 98

PTR-TOF performance during the icebreaker based ASCOS campaign in the high Arctic
Martin Graus, Markus Müller, Thorsten Titzmann, Caroline Leck,
Michael Tjernström and Armin Hansel ................................................................................ 103

Measurement of Aviation Engine Exhaust Emissions using PTR-MS
Berk Knighton ...................................................................................................................... 105

Analysis of secondary organic aerosols by PTR-MS
Josef Dommen, Heidi Hellen, Axel Metzger, Kathrin Gaeggeler and Urs Baltensperger ... 110

A lightweight, high-sensitivity PTRMS for aircraft platforms
Andreas Zahn, Joel Brito, and Detlev Sprung .......................................................................114

Laboratory and Field Measurements of Sesquiterpenes by PTRMS
Saewung Kim, Thomas Karl, Irina Herdlinger, Detlev Helmig, Rei Rasmussen,
Ryan Daly, and Alex Guenther ............................................................................................ 116

PTR-MS measurements of concentrations and fluxes of biogenic VOCs in
the humid tropics - rain forest vs. Oil palm plantation
Pawel K. Misztal, Ben Langford, Chiara F. DiMarco, Gavin J. Philips,
Nick Hewitt, J. Neil Cape, Mathew R. Heal and Eiko Nemitz ............................................ 120

Chemical Flux Measurements Using PTRMS
Thomas Karl ......................................................................................................................... 125

Quantitative long-term measurements: challenges and results from boreal forest
Taina M. Ruuskanen, Risto Taipale, Maija K. Kajos, Pasi Kolari, Johanna Patokoski,
Pertti Hari, Markku Kulmala and Janne Rinne .................................................................... 130