| The Conference is organized under Honorable Auspices of  |
The Conference is organized under
Honorable Auspices of
Mayor of Poznañ Ryszard Grobelny  |
Additional support
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Our Main Sponsors:
SUNDAY, 4 MARCH 2012
13:00-16:30 Lecture Hall 3
16:30-17:15 Coffee Break
17:00-17:15 Lecture Hall 1
18:45- 19:15 Lecture Hall 1
19:15-23:00 Pavillion 15
MONDAY, 5 MARCH 2012
8:30-9:20 Lecture Hall 1
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 2
12:30-13:30 Lecture Hall 1 Lunch Seminar Bruker
12:30-13:30 Lecture Hall 2 Lunch Seminar Leco
13:30-15:00 Poster Session 1 a, b
15:00-15:30 Coffee Break
15:30-16:20 Lecture Hall 1
16:20-18:00 Lecture Hall 2
16:20-18:00 Lecture Hall 1
18:00-19:30 PS 2: Poster Session 1 a, b
TUESDAY, 6 MARCH 2012
8:30-9:20 Lecture Hall 1
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 1
12:30-13:30 Lecture Hall 1 Lunch Seminar Agilent
12:30-13:30 Lecture Hall 2 Lunch Seminar Waters
13:30-15:00 Poster Session 2 a, b
15:00-15:30 Coffee Break
15:30-16:15 Lecture Hall 1
18:00-19:30 Poster Session 2 a, b
20:00-23:30 Pavillion 15
WEDNESDAY, 7 MARCH 2012
8:30-9:20 Lecture Hall 1
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 1
12:30-13:30 Lecture Hall 1 Lunch Seminar Thermo
12:30-13:30 Lecture Hall 2 Lunch Seminar AB Sciex
13:30-14:00 Lecture Hall 1
Workshop 1
Fundamentals of Mass Spectrometry
(Organizers: D. Kuck, Bielefeld; W. Danikiewicz, Warszawa)
Presentators: Witold Danikiewicz, Michael Mormann, Dietmar Kuck and Magdalena Zimnicka
13:30 Introduction
13:35 "Gas-phase Ions: Where Mass Spectrometry Begins"
Witold Danikiewicz
Institute of Organic Chemistry, Polish Academy of Sciences, Warszawa
14:10 "Gas-phase ion separation: Mass analysers"
Michael Mormann
Institute for Medicinal Physics and Biophysics, University of Münster, Münster
14:45 Coffee break
15:05 "Some Physicochemical Aspects of Gas-phase Ion Fragmentation"
Dietmar Kuck
Department of Chemistry, Bielefeld University, Bielefeld
15:40 "Fragmentation Mechanisms of Bioorganic Ions"
Magdalena Zimnicka
Institute of Organic Chemistry, Polish Academy of Sciences, Warszawa
16:15 Final Discussion
16:30 End
13:00-16:30 Lecture Hall 3
Workshop 3
Desorption Ionization – An Introduction to FD and MALDI (Organizers J.H. Gross; Heidelberg; H.B.
Linden Heidelberg, M. Karas Frankfurt)
13:30-16:30 Lecture Hall 1Desorption Ionization – An Introduction to FD and MALDI (Organizers J.H. Gross; Heidelberg; H.B.
Linden Heidelberg, M. Karas Frankfurt)
Workshop 1
Fundamentals of Mass Spectrometry (Organizers: D. Kuck, Bielefeld; W. Danikiewicz, Warszawa)
13:30-16:30 Lecture Hall 2Fundamentals of Mass Spectrometry (Organizers: D. Kuck, Bielefeld; W. Danikiewicz, Warszawa)
Workshop 2
Fourier-Transform Mass Spectrometry and Accurate Mass (Organizers: W. Schrader, Mülheim;
P. Stefanowicz, Wrocław)
13:00-16:30 Lecture Hall 4Fourier-Transform Mass Spectrometry and Accurate Mass (Organizers: W. Schrader, Mülheim;
P. Stefanowicz, Wrocław)
Workshop 4
Mass Spectrometry Imaging (Organizers: B. Spengler, A. Roempp, Giessen)
Mass Spectrometry Imaging (Organizers: B. Spengler, A. Roempp, Giessen)
16:30-17:15 Coffee Break
17:00-17:15 Lecture Hall 1
Opening Ceremony
Session Chair: M. STOBIECKI
Session Chair: J. GROTEMEYER
17:15-18:15 Lecture Hall 1Session Chair: M. STOBIECKI
Session Chair: J. GROTEMEYER
Wolfgang Paul Lecture
Session Chair: J. GROTEMEYER and M. STOBIECKI
MICHAEL L. GROSS, Professor, Department of Chemistry, Professor of Immunology and Internal
Medicine, Washington University School of Medicine
Can Mass Spectrometry Play a Role in Structural Biology?
18:15-18:45 Lecture Hall 1Session Chair: J. GROTEMEYER and M. STOBIECKI
MICHAEL L. GROSS, Professor, Department of Chemistry, Professor of Immunology and Internal
Medicine, Washington University School of Medicine
Can Mass Spectrometry Play a Role in Structural Biology?
Bestowal of the Honoary Membership
Session Chair: J. GROTEMEYER
Bestowal of the Honorary Membership to Prof. Dr. Franz Hillenkamp, Münster
Session Chair: J. GROTEMEYER
Bestowal of the Honorary Membership to Prof. Dr. Franz Hillenkamp, Münster
18:45- 19:15 Lecture Hall 1
Chamber Choir of Polish Academy of Sciences
19:15-23:00 Pavillion 15
Conference Mixer
MONDAY, 5 MARCH 2012
8:30-9:20 Lecture Hall 1
Plenary Lecture 1
Session Chair: W. DANIKIEWICZ
DETLEF SCHRÖDER, Institute of Organic Chemistry and Biochemistry Prague, Czech Republic
Mass spectrometry going towards the condensed phase
9:20-10:10 Lecture Hall 1Session Chair: W. DANIKIEWICZ
DETLEF SCHRÖDER, Institute of Organic Chemistry and Biochemistry Prague, Czech Republic
Mass spectrometry going towards the condensed phase
Wolfgang Paul Award
Session Chair: J.H. GROSS
Introduction: J.H. GROSS, President of the Jury
Lectures from the Awardees: H. WINKLER, A.K. SCHALLEY, T. JASKOLLA, A.K. KARAS
Session Chair: J.H. GROSS
Introduction: J.H. GROSS, President of the Jury
Lectures from the Awardees: H. WINKLER, A.K. SCHALLEY, T. JASKOLLA, A.K. KARAS
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 2
Session 1: Fundamentals of Mass Spectrometry and Instrumentation
Session Chair: D. KUCK
HPLC/FT-ICR MS as an approach for detailed analysis of a crude oil sample. S. Lababidi, W. Schrader
Fragmentation of Xanthene Dyes by Laser Activation and Collision-Induced Dissociation on a High-
Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometer. J. Peters, J. Grotemeyer
Ion Mobility Analysis of Glycans: A Calibration Protocol for Travelling Wave Instruments. Kevin
Pagel, David J. Harvey
Improving Bioanalytical Selectivity by Differential Mobility Spectrometry – Mass Spectrometry.
C. Lenz, S. Kreppenhofer, M. Glueckmann, T. Bienkowski, Y. LeBlanc
Rapid switching (80 Hz) between hard electron- and soft photo-ionization for gas chromatography/
time-off-flight mass spectrometry: Technical realization and applications. R. Zimmermann,
M. Eschner, T. Gröger, M. Gonin
ESI-mass spectrometry for structural characterization of selected aliphatic homo- and copolyester.
G. Adamus, M. Kowalczuk
10:30-12:30 Lecture Hall 1Session Chair: D. KUCK
HPLC/FT-ICR MS as an approach for detailed analysis of a crude oil sample. S. Lababidi, W. Schrader
Fragmentation of Xanthene Dyes by Laser Activation and Collision-Induced Dissociation on a High-
Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometer. J. Peters, J. Grotemeyer
Ion Mobility Analysis of Glycans: A Calibration Protocol for Travelling Wave Instruments. Kevin
Pagel, David J. Harvey
Improving Bioanalytical Selectivity by Differential Mobility Spectrometry – Mass Spectrometry.
C. Lenz, S. Kreppenhofer, M. Glueckmann, T. Bienkowski, Y. LeBlanc
Rapid switching (80 Hz) between hard electron- and soft photo-ionization for gas chromatography/
time-off-flight mass spectrometry: Technical realization and applications. R. Zimmermann,
M. Eschner, T. Gröger, M. Gonin
ESI-mass spectrometry for structural characterization of selected aliphatic homo- and copolyester.
G. Adamus, M. Kowalczuk
Session 2: Proteomics 1
Session Chair: A. SINZ
Quantitative Label-free Mass Spectrometry for Unbiased Profiling of the Human Monocyte Secretome.
M. Groess, H. Luksch, A. Rösen-Wolff, A. Shevchenko, M. Gentzel
A Simple Way to Perform Quantitative Proteomics and Lipidomics Measurements from Small Tissues
Samples. M. Nakade, S. Hebbar, D. Schwudke
Online-Bioaffinity-mass spectrometry: Analytical development and application for structural and
affinity characterisation of immune- and peptide-protein complexes. S. Slamnoiu, C. Vlad, A. Moise,
M. Stumbaum, M. Przybylski
Improved Precision of Quantitative ‘Bottom-up’ Proteomics with Stable Isotope Labeled Proteins as
Internal Standards. A. Konopka, M.E. Boehm, M. Rohmer, M. Karas, W.D. Lehmann
Benchmarking Label-free Quantification using the Meta-Proteome Quantification Standards (MPQS).
J. Kuharev, P. Brownridge, R. Engelke, W. Thompson, M. Kipping, A. Moseley, J. Dengjel,
R. Beynon, H. Schild, O. Jahn, S. Tenzer
The importance of total system peak capacity for complex proteome analysis. R. Tonge
10:30-12:30 Lecture Hall 3Session Chair: A. SINZ
Quantitative Label-free Mass Spectrometry for Unbiased Profiling of the Human Monocyte Secretome.
M. Groess, H. Luksch, A. Rösen-Wolff, A. Shevchenko, M. Gentzel
A Simple Way to Perform Quantitative Proteomics and Lipidomics Measurements from Small Tissues
Samples. M. Nakade, S. Hebbar, D. Schwudke
Online-Bioaffinity-mass spectrometry: Analytical development and application for structural and
affinity characterisation of immune- and peptide-protein complexes. S. Slamnoiu, C. Vlad, A. Moise,
M. Stumbaum, M. Przybylski
Improved Precision of Quantitative ‘Bottom-up’ Proteomics with Stable Isotope Labeled Proteins as
Internal Standards. A. Konopka, M.E. Boehm, M. Rohmer, M. Karas, W.D. Lehmann
Benchmarking Label-free Quantification using the Meta-Proteome Quantification Standards (MPQS).
J. Kuharev, P. Brownridge, R. Engelke, W. Thompson, M. Kipping, A. Moseley, J. Dengjel,
R. Beynon, H. Schild, O. Jahn, S. Tenzer
The importance of total system peak capacity for complex proteome analysis. R. Tonge
Session 3: Environmental and Pharmaceutical Applications
Session Chair: P. STEFANOWICZ
SPME-MS as a tool for food quality and authenticity assessment. H.H. Jeleń, A. Ziółkowska, M. Majcher
Mass Spectrometry in Sports Drug Testing: Investigating Diagnostic Product Ions of Testosterone by
ESI-CID HRMS and IRMPD spectroscopy. M. Thevis, S. Beuck, S. Höppner, M. Schäfer, J. Held,
J. Oomens, A. Thomas, W. Schänzer
10:30-12:30Session Chair: P. STEFANOWICZ
SPME-MS as a tool for food quality and authenticity assessment. H.H. Jeleń, A. Ziółkowska, M. Majcher
Mass Spectrometry in Sports Drug Testing: Investigating Diagnostic Product Ions of Testosterone by
ESI-CID HRMS and IRMPD spectroscopy. M. Thevis, S. Beuck, S. Höppner, M. Schäfer, J. Held,
J. Oomens, A. Thomas, W. Schänzer
Lecture Hall 3
Forensic Screening of Isobaric Compounds in Crude Samples by Ultrahigh-Resolution UHPLC-QTOF
Technology. A. Ingendoh, M. Macht, P. Decker, C. Baessmann, A. Pelander
Hyphenated techniques for determination of volatile organic compounds in breath. T. Ligor,
E. Trawińska, K. Cieslinski, B. Buszewski
Solid phase microextraction coatings and LC-MSn for determination of drugs and their metabolites in
biological samples. M. Szultka, B. Buszewski
Negative ion tandem mass spectrometry of prenylated fungal metabolites and their derivatives.
R. Heinke, A. Norbert, W. Ludger, S. Jürgen
Forensic Screening of Isobaric Compounds in Crude Samples by Ultrahigh-Resolution UHPLC-QTOF
Technology. A. Ingendoh, M. Macht, P. Decker, C. Baessmann, A. Pelander
Hyphenated techniques for determination of volatile organic compounds in breath. T. Ligor,
E. Trawińska, K. Cieslinski, B. Buszewski
Solid phase microextraction coatings and LC-MSn for determination of drugs and their metabolites in
biological samples. M. Szultka, B. Buszewski
Negative ion tandem mass spectrometry of prenylated fungal metabolites and their derivatives.
R. Heinke, A. Norbert, W. Ludger, S. Jürgen
12:30-13:30 Lecture Hall 1 Lunch Seminar Bruker
12:30-13:30 Lecture Hall 2 Lunch Seminar Leco
13:30-15:00 Poster Session 1 a, b
Instrumentation, Fundamentals of MS, Inorganic and Elemental MS, Imaging MS, Proteomics
Authors of odd numbered posters should be present
Authors of odd numbered posters should be present
15:00-15:30 Coffee Break
15:30-16:20 Lecture Hall 1
Plenary Lecture 2
Session Chair: M. PRZYBYLSKI
THOMAS J.D. JOERGENSEN, University of Southern Denmark, Odense, Denmark
Insights into Protein Structural Dynamics with Hydrogen/Deuterium Exchange Monitored by Mass
Spectrometry.
Session Chair: M. PRZYBYLSKI
THOMAS J.D. JOERGENSEN, University of Southern Denmark, Odense, Denmark
Insights into Protein Structural Dynamics with Hydrogen/Deuterium Exchange Monitored by Mass
Spectrometry.
16:20-18:00 Lecture Hall 2
Session 4: General Mass Spectrometry
Session Chair: W. DANIKIEWICZ
Circular Dichroism Laser Mass Spectrometry: Report of Recent Progress and Outlook to Future
Projects. U. Boesl, C. Logé, K. Titze
Identification of psychoactive substances by LC-MS/MS-TOF after closing down 1378 smart shops in
Poland. A. Błażewicz, P. Baran, Z. Fijałek
9-aminoacridine: a powerful MALDI matrix – but with pecularities. K. Mueller, U. Jakop, K. Bresler,
A. Nimptsch, B. Fuchs, J. Schiller
Detailed mechanistic studies of a multifunctional catalyst in a one-pot reaction by Electrospray mass
spectrometry. M. Wasim Alachraf, C.E Müller, P.R Schreiner, W. Schrader
16:20-18:00Session Chair: W. DANIKIEWICZ
Circular Dichroism Laser Mass Spectrometry: Report of Recent Progress and Outlook to Future
Projects. U. Boesl, C. Logé, K. Titze
Identification of psychoactive substances by LC-MS/MS-TOF after closing down 1378 smart shops in
Poland. A. Błażewicz, P. Baran, Z. Fijałek
9-aminoacridine: a powerful MALDI matrix – but with pecularities. K. Mueller, U. Jakop, K. Bresler,
A. Nimptsch, B. Fuchs, J. Schiller
Detailed mechanistic studies of a multifunctional catalyst in a one-pot reaction by Electrospray mass
spectrometry. M. Wasim Alachraf, C.E Müller, P.R Schreiner, W. Schrader
16:20-18:00 Lecture Hall 1
Session 5: Proteomics 2
Session Chair: M. KARAS
Characterization of surgical aerosols – Towards mass spectrometry-guided surgery. A. Fendt,
K.P. Hinz, K.C. Schäfer, Z. Takats, B. Spengler
Chemical Phosphorylation of Histidine Residues in Proteins and Peptides Assists in the Analysis of
Acid-labile Phosphorylation Sites. S. König, U.M. Hohenester, K. Ludwig
Systematic study of copper and platinum complexes of peptide-heterocycle conjugates. A. Kluczyk,
K. Paszek, J. Hipner, P. Szczepaniak, D. Bąk, M. Ratajska, P. Stefanowicz, Z. Szewczuk
Affinity – Mass Spectrometry-based Cord Blood Serum Profiling Leads to an IUGR Proteome
Signature. C. Koy, M. Wölter, C. Röwer, T. Reimer, W. Rath, U. Pecks, M.O. Glocker
High-resolution LC-MS Analysis Reveals Novel Cellular Substrates of Clostridium difficile Toxins.
J. Zeiser, R. Gerhard, I. Just, A. Pich
Session Chair: M. KARAS
Characterization of surgical aerosols – Towards mass spectrometry-guided surgery. A. Fendt,
K.P. Hinz, K.C. Schäfer, Z. Takats, B. Spengler
Chemical Phosphorylation of Histidine Residues in Proteins and Peptides Assists in the Analysis of
Acid-labile Phosphorylation Sites. S. König, U.M. Hohenester, K. Ludwig
Systematic study of copper and platinum complexes of peptide-heterocycle conjugates. A. Kluczyk,
K. Paszek, J. Hipner, P. Szczepaniak, D. Bąk, M. Ratajska, P. Stefanowicz, Z. Szewczuk
Affinity – Mass Spectrometry-based Cord Blood Serum Profiling Leads to an IUGR Proteome
Signature. C. Koy, M. Wölter, C. Röwer, T. Reimer, W. Rath, U. Pecks, M.O. Glocker
High-resolution LC-MS Analysis Reveals Novel Cellular Substrates of Clostridium difficile Toxins.
J. Zeiser, R. Gerhard, I. Just, A. Pich
18:00-19:30 PS 2: Poster Session 1 a, b
Instrumentation, Fundamentals of MS, Inorganic and Elemental MS, Imaging MS, Proteomics
Authors of even numbered posters should be present
Authors of even numbered posters should be present
TUESDAY, 6 MARCH 2012
8:30-9:20 Lecture Hall 1
Plenary Lecture 3
Session Chair: MICHAEL W. LINSCHEID
ROBERT B. CODY, JEOL USA, Inc.
DART Mass Spectrometry: Recent Developments and Applications
9:20-10:10 Lecture Hall 1Session Chair: MICHAEL W. LINSCHEID
ROBERT B. CODY, JEOL USA, Inc.
DART Mass Spectrometry: Recent Developments and Applications
Mattauch-Herzog Award
Session Chair: M.W. LINSCHEID
Introduction: M.W. LINSCHEID, President of the Jury, Lectures from the awardee: A. Römpp,
Comprehensive and Specific Biological Information at Cellular Resolution by MS Imaging
Session Chair: M.W. LINSCHEID
Introduction: M.W. LINSCHEID, President of the Jury, Lectures from the awardee: A. Römpp,
Comprehensive and Specific Biological Information at Cellular Resolution by MS Imaging
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 1
Session 6: Imaging Mass Spectrometry
Session Chair: BERNHARD SPENGLER
10:30-12:30Session Chair: BERNHARD SPENGLER
Lecture Hall 1
Analysis of colorectal adenocarcinoma samples with Desorption Electrospray Ionization and multivariate
statistical methods. S. Gerbig, O. Golf, J. Balog, J. Denes, Z. Baranyai, A. Zarand, E. Raso,
J. Timar, Z. Takats
Software for 3D MALDI imaging data: visualization and 3D spatial segmentation. D. Trede,
S. Schiffler, M. Becker, S. Wirtz, J. Strehlow, J.H. Kobarg, K. Steinhorst, M. Aichler, S. Heldmann,
A. Walch, H. Thiele, P. Maass, T. Alexandrov
Spatial Proteomics: A new LC-MS/MS Tissue Imaging Workflow providing Protein Distributions and
their Identities in Tissue. M. Becker, M. Schürenberg, C. Lübbert, R. Paape, D. Suckau
Ion yields in UV-MALDI mass spectrometry as a function of laser wavelength and physico-chemical
properties of classical and halogen-substituted matrices. J. Soltwisch, T.W. Jaskolla, F. Hillenkamp,
M. Karas, K. Dreisewerd
Water Ice as a Matrix for the Analysis of Glycosaminoglycans in Infrared Matrix-assisted Laser
Desorption/Ionization Mass Spectrometry. L. Witt, A. Pirkl, K. Dreisewerd, M. Mormann
DART-TOF-MS: A time-saver in analytical chemistry. C.W. Klampfl
10:30-12:30 Lecture Hall 2Analysis of colorectal adenocarcinoma samples with Desorption Electrospray Ionization and multivariate
statistical methods. S. Gerbig, O. Golf, J. Balog, J. Denes, Z. Baranyai, A. Zarand, E. Raso,
J. Timar, Z. Takats
Software for 3D MALDI imaging data: visualization and 3D spatial segmentation. D. Trede,
S. Schiffler, M. Becker, S. Wirtz, J. Strehlow, J.H. Kobarg, K. Steinhorst, M. Aichler, S. Heldmann,
A. Walch, H. Thiele, P. Maass, T. Alexandrov
Spatial Proteomics: A new LC-MS/MS Tissue Imaging Workflow providing Protein Distributions and
their Identities in Tissue. M. Becker, M. Schürenberg, C. Lübbert, R. Paape, D. Suckau
Ion yields in UV-MALDI mass spectrometry as a function of laser wavelength and physico-chemical
properties of classical and halogen-substituted matrices. J. Soltwisch, T.W. Jaskolla, F. Hillenkamp,
M. Karas, K. Dreisewerd
Water Ice as a Matrix for the Analysis of Glycosaminoglycans in Infrared Matrix-assisted Laser
Desorption/Ionization Mass Spectrometry. L. Witt, A. Pirkl, K. Dreisewerd, M. Mormann
DART-TOF-MS: A time-saver in analytical chemistry. C.W. Klampfl
Session 7: Inorganic and Elemental Mass Spectrometry
Session Chair: M. JAROSZ
ToF-SIMS studies of the surface properties of Co/SiO2 catalyst for Fischer-Tropsch synthesis.
J. Grams, A. Ura
Sources of inaccuracy of isotopic ratio measurements by MC ICPMS: Comparison of wet and dry
plasma conditions. R. Anczkiewicz
Determination of Total Mercury Content in Wood Materials Using ICP-MS in Comparison to ICP-OES
with Mercury Cold Vapor Technique. H. Fleischer, K. Thurow
In-vitro investigation of possible intracellular transformations of ruthenium-based anticancer
drug–protein adducts by CE-ICP-MS and ESI-MS. K. Pawlak, M. Matczuk, A. Siwek, L. Xifeng,
S. Aleksenko, A. Timerbaev, M. Jarosz
Binding abilities of copper to phospholipides. J. Jaklová Dytrtová, M. Jakl, D. Schröder
A multi-reflection time-of-flight mass separator for high-resolution beam purification at ISOLTRAP.
R.N. Wolf, for the ISOLTRAP collaboration L. Schweikhard
10:30-12:30 Lecture Hall 3Session Chair: M. JAROSZ
ToF-SIMS studies of the surface properties of Co/SiO2 catalyst for Fischer-Tropsch synthesis.
J. Grams, A. Ura
Sources of inaccuracy of isotopic ratio measurements by MC ICPMS: Comparison of wet and dry
plasma conditions. R. Anczkiewicz
Determination of Total Mercury Content in Wood Materials Using ICP-MS in Comparison to ICP-OES
with Mercury Cold Vapor Technique. H. Fleischer, K. Thurow
In-vitro investigation of possible intracellular transformations of ruthenium-based anticancer
drug–protein adducts by CE-ICP-MS and ESI-MS. K. Pawlak, M. Matczuk, A. Siwek, L. Xifeng,
S. Aleksenko, A. Timerbaev, M. Jarosz
Binding abilities of copper to phospholipides. J. Jaklová Dytrtová, M. Jakl, D. Schröder
A multi-reflection time-of-flight mass separator for high-resolution beam purification at ISOLTRAP.
R.N. Wolf, for the ISOLTRAP collaboration L. Schweikhard
Session 8: Metabolomics and Lipidomics
Session Chair: W.D. LEHMANN
Mass Spectrometric Analysis of Spatial Metabolite Distribution Pattern during Barley Grain
Development. M. Peukert, A. Matros, H.P. Mock
Expanding role of in vitro simulation of cytochrome P450 metabolism for drugs of abuse. P. Jakub
Mielczarek, H. Raoof, J. Silberring
Software for Pathway Informed Metabolomics. J. Thiemann
Development of a spectral interconversion algorithm for desorption ionization techniques. O. Golf,
M. Walther-Schmidt, Z. Takáts
Quantification of Phospholipids in Biological Samples Using μLC-FTICR-MS. N. Zehethofer, B. Lindner
Development and validation of a LC-MS/MS method for routine determination of aldosterone and its
application in pediatric endocrinology. A.E. Kulle, C. Wewetzer, P.M. Holterhus, F.G. Riepe
Session Chair: W.D. LEHMANN
Mass Spectrometric Analysis of Spatial Metabolite Distribution Pattern during Barley Grain
Development. M. Peukert, A. Matros, H.P. Mock
Expanding role of in vitro simulation of cytochrome P450 metabolism for drugs of abuse. P. Jakub
Mielczarek, H. Raoof, J. Silberring
Software for Pathway Informed Metabolomics. J. Thiemann
Development of a spectral interconversion algorithm for desorption ionization techniques. O. Golf,
M. Walther-Schmidt, Z. Takáts
Quantification of Phospholipids in Biological Samples Using μLC-FTICR-MS. N. Zehethofer, B. Lindner
Development and validation of a LC-MS/MS method for routine determination of aldosterone and its
application in pediatric endocrinology. A.E. Kulle, C. Wewetzer, P.M. Holterhus, F.G. Riepe
12:30-13:30 Lecture Hall 1 Lunch Seminar Agilent
12:30-13:30 Lecture Hall 2 Lunch Seminar Waters
13:30-15:00 Poster Session 2 a, b
Proteomics, Lipidomics, Metabolomics, Environmental and Pharmaceutical Applications
Authors of odd numbered posters should be present
Authors of odd numbered posters should be present
15:00-15:30 Coffee Break
15:30-16:15 Lecture Hall 1
Plenary Lecture 4
Session Chair: M. STOBIECKI
A. BYRT, former ambassador of Poland in Germany
Biochemistry of Polish – German relations
16:15-16:45 Lecture Hall 1
Agilent Award Lecture
Session Chair: W. SCHRADER
Introduction: W. SCHRADER, President of the Jury
Lecture of the awardee: J. SPROß, Martin-Luther-University Halle-Wittenberg
16:45-17:15 Lecture Hall 1Session Chair: M. STOBIECKI
A. BYRT, former ambassador of Poland in Germany
Biochemistry of Polish – German relations
16:15-16:45 Lecture Hall 1
Agilent Award Lecture
Session Chair: W. SCHRADER
Introduction: W. SCHRADER, President of the Jury
Lecture of the awardee: J. SPROß, Martin-Luther-University Halle-Wittenberg
Special Main Lectures
Session Chair: ZBIGNIEW SZEWCZUK
M. DADLEZ, Institute of Biochemistry and Biophysics, Warszawa
RAGE receptor structure and oligomerisation studied by hydrogen-deuterium exchange monitored by
mass spectrometry
17:15-18:00 Lecture Hall 1Session Chair: ZBIGNIEW SZEWCZUK
M. DADLEZ, Institute of Biochemistry and Biophysics, Warszawa
RAGE receptor structure and oligomerisation studied by hydrogen-deuterium exchange monitored by
mass spectrometry
DGMS Business Meeting
Session Chair: J. GROTEMEYER
17:15-18:00 Lecture Hall 2Session Chair: J. GROTEMEYER
PTSM Business Meeting
Session Chair: P.R. STEFANOWICZ
Session Chair: P.R. STEFANOWICZ
18:00-19:30 Poster Session 2 a, b
Proteomics, Lipidomics, Metabolomics, Environmental and Pharmaceutical Applications
Authors of even numbered posters should be present
Authors of even numbered posters should be present
20:00-23:30 Pavillion 15
Conference Dinner
WEDNESDAY, 7 MARCH 2012
8:30-9:20 Lecture Hall 1
Plenary Lecture 5
Session Chair: J.H. GROSS
JEAN CLAUDE TABET, Université Pierre and Marie Curie, Paris, France
Conformational influence on dissociations of multicharged biological complex systems according to
ion activation mode.
9:20-10:10 Lecture Hall 1Session Chair: J.H. GROSS
JEAN CLAUDE TABET, Université Pierre and Marie Curie, Paris, France
Conformational influence on dissociations of multicharged biological complex systems according to
ion activation mode.
Waters Award
Session Chair: WOLF D. LEHMANN
Introduction: WOLF D. LEHMANN, Lectures from the awardees: Prof. Dr. F. Lottspeich, Prof. Dr. H.E.
Meyer, Dr. R. Kellner
Session Chair: WOLF D. LEHMANN
Introduction: WOLF D. LEHMANN, Lectures from the awardees: Prof. Dr. F. Lottspeich, Prof. Dr. H.E.
Meyer, Dr. R. Kellner
10:10-10:30 Coffee Break
10:30-12:30 Lecture Hall 1
Session 9: Proteomics 3
Session Chair: M. DADLEZ
Strategies of protease substrate identification by mass spectrometry. V. Frochaux, M. Trusch,
D. Hildebrand, M.W. Linscheid, H. Schlüter
Mass spectrometry in studies of protein denaturation. E. Jankowska, M. Sosnowska, P. Karpowicz,
K. Radziszewska, P. Stefanowicz, A. Szymańska
Acid-catalyzed 18O-labeling – a new tool for peptide and protein quantitation. A. Schlosser, E. Haaf
Specific detection of arginine-derived advanced glycation end-products and their localization in
proteins. R. Schmidt, D. Böhme, D. Singer, R. Hoffmann, A. Frolov
Determination of Catalase Expression by a Targeted UHPLC-MS/MS Based Proteome Analysis.
N. Zänglein, M. Pischetsrieder
How to handle huge amount of mass spectrometric data? A new strategy with the Achroma software.
R.K. Scheerle, C. Kaufmann, M. Krappmann, J. Grassmann, T. Letzel
10:30-12:30 Lecture Hall 2Session Chair: M. DADLEZ
Strategies of protease substrate identification by mass spectrometry. V. Frochaux, M. Trusch,
D. Hildebrand, M.W. Linscheid, H. Schlüter
Mass spectrometry in studies of protein denaturation. E. Jankowska, M. Sosnowska, P. Karpowicz,
K. Radziszewska, P. Stefanowicz, A. Szymańska
Acid-catalyzed 18O-labeling – a new tool for peptide and protein quantitation. A. Schlosser, E. Haaf
Specific detection of arginine-derived advanced glycation end-products and their localization in
proteins. R. Schmidt, D. Böhme, D. Singer, R. Hoffmann, A. Frolov
Determination of Catalase Expression by a Targeted UHPLC-MS/MS Based Proteome Analysis.
N. Zänglein, M. Pischetsrieder
How to handle huge amount of mass spectrometric data? A new strategy with the Achroma software.
R.K. Scheerle, C. Kaufmann, M. Krappmann, J. Grassmann, T. Letzel
Session 10: Environmental and Pharmaceutical Applications
Session Chair: P. KACHLICKI
A milestone in pharmaceutical trace level analysis in water – LC-MS/MS and LC-QTOF. A. Kot-
-Wasik, A. Jakimska, A. Wasik, J. Namieśnik
Nontarget screening with LC-Q-TOF-MS to characterize input and fate of contaminants in surface
waters. C. Zwiener, M. Zedda
Analysis of pharmaceuticals and personal care products in river water samples by UHPLC-TOF.
S. Daugherty, S. Redd
Protein profiling using LC/MS method for identification of genetically modified foods. A.U. Koc-
-Latoszek, J.F. Garcia-Reyes, A. Molina Diaz, M. Trojanowicz
Heck coupling in the gas phase: Examination of the reaction mechanism by ion/molecule reactions and
mass spectrometry. L. Fiebig, H-G. Schmalz, M. Schäfer
Investigation of Figopitant and its Metabolites in Rat Tissue by combining Whole Body Autoradiography
with Liquid-Extraction-Surface-Analysis Mass Spectrometry (LESA-MS). S. Schadt, F. Porbeck,
R. Almeida, S. Kallbach, J. Sandel
10:30-12:30 Lecture Hall 3Session Chair: P. KACHLICKI
A milestone in pharmaceutical trace level analysis in water – LC-MS/MS and LC-QTOF. A. Kot-
-Wasik, A. Jakimska, A. Wasik, J. Namieśnik
Nontarget screening with LC-Q-TOF-MS to characterize input and fate of contaminants in surface
waters. C. Zwiener, M. Zedda
Analysis of pharmaceuticals and personal care products in river water samples by UHPLC-TOF.
S. Daugherty, S. Redd
Protein profiling using LC/MS method for identification of genetically modified foods. A.U. Koc-
-Latoszek, J.F. Garcia-Reyes, A. Molina Diaz, M. Trojanowicz
Heck coupling in the gas phase: Examination of the reaction mechanism by ion/molecule reactions and
mass spectrometry. L. Fiebig, H-G. Schmalz, M. Schäfer
Investigation of Figopitant and its Metabolites in Rat Tissue by combining Whole Body Autoradiography
with Liquid-Extraction-Surface-Analysis Mass Spectrometry (LESA-MS). S. Schadt, F. Porbeck,
R. Almeida, S. Kallbach, J. Sandel
Session 11: Fundamentals of Mass Spectrometry and Instrumentation
Session Chair: U. BOESL
Formation and fragmentation of sodiated amino acid cluster ions in the gas phase. M. von Gernler, R.
Kirschbaum, T. Drewello
Increasing Importance of Electrochemistry/Mass Spectrometry in Life Science. A. Kraj, H.J. Brouwer,
N. Reinhoud, P. Mielczarek, J. Silberring, J-P. Chervet
High-resolution time-of-flight mass spectrometry using folded flight path technology for profiling of
steroids and steroid metabolites in urine. J. Wendt, K. Siek, J.S. Patrick, E. Guice
Maldi-ToF Analysis in the study of luminescent polyethers and poluthioeters with the crabazolyl unit
in the substituent for oled applications. A.S. Swinarew, J. Gabor, S. Golba, B. Swinarew
Mechanistic and Analytical Features of Water Ice as a Matrix for IR-MALDI mass spectrometry.
A. Pirkl, J. Soltwisch, F. Draude, K. Dreisewerd
Charge-Tagged Peptides for Sensitive Detection by ESI-MS. Z. Szewczuk, M. Rudowska, R. Bąchor,
M. Cydzik, D. Wojewska, A. Kluczyk, P. Stefanowicz
Session Chair: U. BOESL
Formation and fragmentation of sodiated amino acid cluster ions in the gas phase. M. von Gernler, R.
Kirschbaum, T. Drewello
Increasing Importance of Electrochemistry/Mass Spectrometry in Life Science. A. Kraj, H.J. Brouwer,
N. Reinhoud, P. Mielczarek, J. Silberring, J-P. Chervet
High-resolution time-of-flight mass spectrometry using folded flight path technology for profiling of
steroids and steroid metabolites in urine. J. Wendt, K. Siek, J.S. Patrick, E. Guice
Maldi-ToF Analysis in the study of luminescent polyethers and poluthioeters with the crabazolyl unit
in the substituent for oled applications. A.S. Swinarew, J. Gabor, S. Golba, B. Swinarew
Mechanistic and Analytical Features of Water Ice as a Matrix for IR-MALDI mass spectrometry.
A. Pirkl, J. Soltwisch, F. Draude, K. Dreisewerd
Charge-Tagged Peptides for Sensitive Detection by ESI-MS. Z. Szewczuk, M. Rudowska, R. Bąchor,
M. Cydzik, D. Wojewska, A. Kluczyk, P. Stefanowicz
12:30-13:30 Lecture Hall 1 Lunch Seminar Thermo
12:30-13:30 Lecture Hall 2 Lunch Seminar AB Sciex
13:30-14:00 Lecture Hall 1
Closing Conference.
Session Chair: M. STOBIECKI
Session Chair: J. GROTEMEYER
Session Chair: M. STOBIECKI
Session Chair: J. GROTEMEYER
Workshop 1
Fundamentals of Mass Spectrometry
(Organizers: D. Kuck, Bielefeld; W. Danikiewicz, Warszawa)
Presentators: Witold Danikiewicz, Michael Mormann, Dietmar Kuck and Magdalena Zimnicka
13:30 Introduction
13:35 "Gas-phase Ions: Where Mass Spectrometry Begins"
Witold Danikiewicz
Institute of Organic Chemistry, Polish Academy of Sciences, Warszawa
14:10 "Gas-phase ion separation: Mass analysers"
Michael Mormann
Institute for Medicinal Physics and Biophysics, University of Münster, Münster
14:45 Coffee break
15:05 "Some Physicochemical Aspects of Gas-phase Ion Fragmentation"
Dietmar Kuck
Department of Chemistry, Bielefeld University, Bielefeld
15:40 "Fragmentation Mechanisms of Bioorganic Ions"
Magdalena Zimnicka
Institute of Organic Chemistry, Polish Academy of Sciences, Warszawa
16:15 Final Discussion
16:30 End