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Contributions CONFERENCE SERIES Armin Hansel, Jürgen Dunkl Contributions 8th International Conference on Proton Transfer Reaction Mass Spectrometry and its Applications innsbruck university press CONFERENCE SERIES innsbruck university press Armin Hansel Jürgen Dunkl Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck Local Organizing Committee: Armin Hansel, Jürgen Dunkl, Sandra Naschberger Institute for Ion Physics and Applied Physics, University of Innsbruck, Austria Thomas Karl – Session Chair of Applications in Environmental Science Institute of Atmospheric and Cryospheric Sciences, University of Innsbruck, Austria Franco Biasioli – Session Chair of Applications in Food Science Fondazione Edmund Mach di San Michele all‘Adige, Italy Jonathan Beauchamp – Session Chair of Applications in Health Science Fraunhofer-Institut für Verfahrenstechnik und Verpackung IVV, Freising, Germany Jens Herbig – Session Chair of Applications in the Industry Ionicon Analytik Ges.m.b.H., Innsbruck, Austria © innsbruck university press, 2019 Universität Innsbruck 1st edition All rights reserved. www.uibk.ac.at/iup ISBN 978-3-903187-46-7 8th 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 Innsbruck, Austria 4 th February – 8 th February, 2019 Contents Foreword ............................................................................................................................................. 15 PTR-MS .............................................................................................................................................. 17 Armin Hansel Applications in Environmental Science Accretion product formation from RO2 radical self- and cross-reactions ......................................... 20 T. Berndt, W. Scholz, B. Mentler, L. Fischer, H. Herrmann, M. Kulmala, and A. Hansel Variability of OH reactivity in a rapeseed field: Results from the COV3ER experiment in April 2017 ........................................................................ 24 S. Bsaibes, V. Gros, F. Truong, C. Boissard, D. Baisnee, R. Sarda-Estève, N. Zannoni, F. Lafouge, R. Ciuraru, P. Buysse, L. Gonzaga, and B. Loubet Eddy-Covariance Measurements in NO+ mode ................................................................................. 27 Martin Graus, Sarah Graf, Marcus Striednig, Arianna Peron, Thomas Karl Effect of agricultural practices on volatile organic compound (VOC) emissions from winter wheat .............................................................................................................. 32 J. Kammer, F. Lafouge, C. Décuq, R. Ciuraru, C. Bedos, D. Baisnée, N. Bonnaire, S. Bsaibes, P. Buysse, B. Durand, J.-E. Petit , R. Sarda-Estève, F. Truong, V. Gros and B. Loubet Aromatic Compounds in the Urban Atmosphere: Analysis of total carbon and gas and particle phase oxidation products ........................................................................................................ 36 Frank N. Keutsch, Alexander Zaytsev, Martin Breitenlechner, Abigail Koss, Christopher Lim, James Rowe and Jesse H. Kroll Vertical Divergence of Reactive Trace Gases – Comparisons for three different photochemical environments .............................................................................................................. 39 Saewung Kim, Alex Guenther, Roger Seco, Dasa Gu, Dianne Sanchez, Daun Jeong Understanding abiotic stress effects on carbon partitioning between plant primary and secondary metabolism by combined PTR-TOF-MS, IRIS and GC-MS-C-IRMS measurements ....................... 40 Jürgen Kreuzwieser, Ines Bamberger, Lukas Fasbender, Michel Grün, Lucas Mahlau, Ana Maria Yáñez-Serrano, Katarzyna M. Romek, and Christiane Werner Estimation of wood burning and traffic contributions to VOC in Paris region .................................. 44 Baptiste Languille, Valerie Gros, Jean-Eudes Petit, Olivier Favez, François Truong, Roland Sarda-Estève, Vincent Michoud and Gilles Foret 8 Contents Oxidation of volatile organic compounds as the major source of formic acid in a mixed forest canopy ..................................................................................................................... 48 Hariprasad D. Alwe, Dylan B. Millet, Xin Chen, Jonathan D. Raff, Zachary Payne, and Kathryn Fledderman The detection of organic peroxy radicals and study of their autoxidation by proton-transfer ionization ................................................................................................................ 49 Barbara Nozière, David R. Hanson, and Luc Vereecken Total OH reactivity changes above the Amazon rainforest during an El Niño event .......................... 51 Eva Y. Pfannerstill, Anke C. Nölscher, Ana M. Yáñez-Serrano, Efstratios Bourtsoukidis, Stephan Keßel, Ruud H. H. Janssen, Anywhere Tsokankunku, Stefan Wolff, Matthias Sörgel, Marta O. Sá, Alessandro Araújo, David Walter, Jošt Lavrič, Cléo Q. Dias-Júnior, Jürgen Kesselmeier, and Jonathan Williams Ecosystem-scale BVOC flux measurements at a poplar bioenergy plantation in Lochristi (Belgium) ......................................................................................................................... 52 Miguel Portillo-Estrada and Reinhart Ceulemans A volatile Arctic: Studies on BVOC release from tundra ecosystems ................................................ 53 Riikka Rinnan, Nanna Baggesen, Thomas Holst, Magnus Kramshøj, Tao Li, and Roger Seco VOCs from soil-born fungi and plant-fungi interactions .................................................................... 55 Yuan Guo, Werner Jud, Maaria Rosenkranz, Felix Antritter, Baris Weber, Andrea Ghirardo, Jörg-Peter Schnitzler Source characterization of volatile organic compounds measured by PTR-ToF-MS in Delhi, India .............................................................................................................. 58 Liwei Wang, Jay G. Slowik, Nidhi Tripathi, Deepika Bhattu, Varun Kumar, Urs Baltensperger, Dilip Ganguly, Lokesh K. Sahu, Sachchida N. Tripathi, and Andre S. H. Prevot Significant emissions of volatile chemical products in New York City .............................................. 61 Carsten Warneke, Matthew Coggon, Georgios Gkatzelis, Jessica Gilman and Brian McDonald Comparison of different VOC measurement techniques in Shenzhen, China .................................... 64 Bo Zhu, Chuan Wang, Xiaofeng Huang, Lingyan He Applications in Food Science Dynamic headspace analysis of sunlight flavor during the photochemical oxidation of methionine-riboflavin ...........................................................................................................................68 Mohammad Asaduzzaman, Matteo Scampicchio, Phil J. Bremer, and Patrick Silcock Beyond calibration: misappropriation of the LCU to quantify liquid-phase concentrations of volatiles in aqueous samples ............................................................................................................ 72 Jonathan Beauchamp and Shang Gao Contents 9 Does the tapping dispenser system influence the aroma of beer? ....................................................... 77 Martina Bodner, and Matteo Scampicchio High performing VOC phenomics to improve fruit quality ................................................................ 81 Farneti Brian, Khomenko Iuliia, Giongo Lara, Biasioli Franco Dark chocolates organoleptic differences: a PTR-ToF-MS success story ........................................... 83 Zoé Deuscher, Isabelle Andriot, Etienne Sémon, Sylvie Cordelle, Pascal Schlich, Marie Repoux, Jean-Michel Roger, Renaud Boulanger, Hélène Labouré and Jean-Luc Le Quéré PTRMSomics: a new pipeline for untargeted analysis of PTRMS data based on peak picking methods from a food industry perspective ........................................................................................... 87 Sara I.F.S. Martins, Ana R. Monforte, António C.S. Ferreira PTR-MS opens new avenues for quality control of dairy raw materials in agroindustry ................... 88 Pedrotti M., Khomenko I., Cappellin L., Arveda M., Falchero L., Fontana M., Somenzi M., Fogliano V., and Biasioli F. Use of proton transfer reaction time of flight mass spectrometry to improve understanding of flavor generation in beer .................................................................................................................. 91 Tobi Richter, Patrick Silcock, Graham T. Eyres, Alberto Algarra, Iuliia Khomenko, Phil J. Bremer, Vittorio Capozzi, Franco Biasioli PTR-MS Sampling Techniques for On-line Coffee Analysis .............................................................. 95 Samo Smrke, Anja Rahn, Rodolfo Campos Zanin, and Chahan Yeretzian Exploring volatile profile of apple cultivars by PTR-MS and link with sensory and other instrumental analyses .................................................................................................................. 96 Valentina JL Ting, Patrick Silcock and Phil Bremer A sense of spices by PTR-MS .............................................................................................................. 99 Saskia van Ruth and Isabelle Silvis Applications in Health Science Real time Proton Transfer Reaction and Electronic Nose simultaneous characterization of Plasmodium falciparum released VOCs ......................................................................................
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