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Agilent Technologies — Technical Presentation (March 2014)
27 slides from Agilent Technologies's technical presentation, Mar 25, 2014
Slide 1: Structural mass spectrometry for analysis of complex biological samples
Structural mass spectrometry for the analysis of complex biological samples: ion mobility-mass spectrometry for broad-scale systems and synthetic biology John A. McLean Laboratory for Structural Mass Spectrometry Department of Chemistry Vanderbilt Institute for Chemical Biology Vanderbilt Institute
Slide 2: Integrating omics for systems biology
Integrating omics for systems biology Yeast interactome Characterizing, quantifying, and cataloging the biomolecular inventory of a sample at specific dimensions of: (i) Space (e.g. cellular, tissue, or organism level) (ii) Time (e.g. point in the life cycle, healthy vs. diseased state). One of the
Slide 3: On the dimensions of cartography and omics dynamics
On the dimensions of cartography… Suarez Miranda,Viajes de varones prudentes, Libro IV,Cap. XLV, Lerida, 1658: “. . . In that Empire, the Art of Cartography attained such Perfection that the map of a single Province occupied the entirety of a City, and the map of the Empire, the entirety of a Provin
Slide 4: On the dimensions of ion mobility-mass spectrometry
On the dimensions of ion mobility-mass spectrometry… L. S. Fenn and J. A. McLean, Analytical Bioanalytical Chemistry 391, 905-9 (2008).
Slide 5: Molecular structure determines collision cross section
Molecular structure determines collision cross section
Slide 6: Evolution of ion mobility with mass spectrometry
Evolution of ion mobility with mass spectrometry The training of next generation scientists K. M. Hines, J. R. Enders, and J. A. McLean, Encyclopedia of Analytical Chemistry, R. Myers and D. C. Muddiman, Eds., John Wiley & Sons (2012).
Slide 7: Time-dispersive ion mobility-mass spectrometry
Time-dispersive ion mobility-mass spectrometry Charge-to-size and mass-to-charge separations Unifro
Slide 8: Three major types of time-dispersive ion mobility-MS instrumentation
Three major types of time-dispersive ion mobility-mass spectrometry instrumentation Electrodynamic-field ion mobility Electrostatic-field ion mobility (relative collision cross section) (absolute collision cross section) Giles et al, RCMS 18, 2401-2414 (2004) Tang et al, Anal. Chem. 77, 3330-3339 (2
Slide 9: Nesting of analytical timescales
Nesting of Prototype analytical Drift timescales Tube Ion and data Mobility-Mass scaling Spectrometer
Slide 10: UPLC-IM-MS analysis of serum
UPLC-IM-MS analysis of serum
Slide 11: Biomolecular class separations
Biomolecular class separations (Structural selectivity from prevailing structural characteristics of density) lipids 500 Region Extracted for Proteomics Analysis Collision Cross Section (Å2) Collision Cross Section (Å2) peptides Region Extracted for Lipidomics Analysis 400 carbohydrates 300 Region E
Slide 12: Integrated omics
Arrival time distribution (ys) 500 > =) —) 300 nD i=) —) 100 Integrated omics Simultaneous glycoproteomics (glycans and peptides from RNAse b) E jl | (*)Carbohydrates/glycans 1 1 1 1 1 1 200 400 600 800 1000 m/z Arrival time distribution (us) 600 500 400 300 F 200 Simultaneous peptide and lipid prof
Slide 13: Carbohydrates
Carbohydrates Lacto-N-difucohexaose I Mixture of Lacto-N-difucohexaose I & II 60 Fuc Fuc Gal 50 GlcNAc Gal Glc Ion Mobility Drift Time (ms) 1018 1020 1022 1024 1026 1028 Lacto-N-difucohexaose 40 II Mass (Da) Fuc Fuc 30 Gal GlcNAc Gal Glc 20 35 36 37 38 39Lacto-N- 40 41 42 difucohexaose I Drift Time
Slide 14: Lipids
Lipids 70 TAA-5 +1 ions 60 N-(CH2CH2CH2CH2CH3)4 Tetraalkylammonium Salts Ion Mobility Drift Time (ms) 50 TAA-16 +2 ions TAA-12 TAA-10 +3 ions 40 TAA-8 +4 ions TAA-7 30 TAA-6 TAA-5 TAA-4 TAA-3 20 10 L-α-phosphotidylethanolamines (PE) 0 0 500 1000 1500 2000 Mass (Da) Distribution of PE lipids derived
Slide 15: Lipids: PE oligomers
Lipids 70 PE oligomers (+1) 60 Ion Mobility Drift Time (ms) 50 PE oligomers (+2) PE 41:N PE 64:N PE 39:N PE 62:N 40 PE 37:N PE 60:N PE 35:N PE 33:N 30 PE 33:(4-2) PE 35:(6-2) PE 37:(8-4) PE 39:(10-6) PE 23:N PE 21:N PE 19:N 20 +Na +K 10 740 750 760 770 780 790 800 810 820 Mass (Da) 0 0 500 1000 1500
Slide 16: Conformational Space Mapping in High Resolution
Conformational Space Mapping in High Resolution Sub-Class Trends in Lipid Data 330 320 Collision Cross Section (Å2) 310 300 Cerebrosides 290 Sphingomyelins Phosphatidylcholines (PC) 280 Phosphatidylserines (PS) Phosphatidylethanolamines (PE) 270 700 800 900 1000 Mass (Da) J. May, C.R. Goodwin, N. La
Slide 17: Dynamic systems biology: Automated robot scientist version 2.0
Dynamic systems biology Automated robot scientist version 2.0 Collaboration with Prof. John Wikswo (VU) and Prof. Hod Lipson (Cornell)
Slide 18: Can leukocytes encode long-term metabolic changes to drug exposure?
Can leukocytes encode long-term metabolic changes to drug exposure? rat cocaine model
Slide 19: Can leukocytes encode long-term metabolic changes to drug exposure?
Can leukocytes encode long-term metabolic changes to drug exposure? rat cocaine model
Slide 20: Cocaine metabolism in rat serum
Cocaine metabolism in rat serum C Collaboration with Prof. Shramm-Saypta (Duke University)
Slide 21: Metabolomic dynamics inspector (MEDI)
Metabolomic dynamics inspector (MEDI) self-organizing feature maps for target prioritization
Slide 22: Can leukocytes encode long-term metabolic changes to drug exposure?
Can leukocytes encode long-term metabolic changes to drug exposure? rat cocaine model
Slide 23: Generalized scheme of the µHuman
Generalized scheme of the µHuman Perfusion Controller MicroClinical Analyzer J. P. Wikswo et al., IEEE Transactions on Biomedical Engineering 60(3), 682-690 (2013).
Slide 24: The µHuman and mHuman in the press…
The µHuman and mHuman in the press…
Slide 25: Integrating biology: Translating data to information
Integrating biology: Translating data to information (Self-organizing maps for untargeted analyses to target identification) Drug discovery using IM-MS Self-organizing maps to elucidate salient molecular features Heat map features direct target species for identification Initially untargeted a
Slide 26: Can we get to systems, synthetic, and chemical biology?
Can we get to systems, synthetic, and chemical biology with integrated omics and informatics? Massautography and imaging mass spectrometry Integrating biology: feature identification (Metabolomics expression inspector (MEDI)) Drug discovery from complex biological Metabolic dynamics of cellular pert
Slide 27: Laboratory for Structural Mass Spectrometry
Laboratory for Structural Mass Spectrometry Prof. Jody C. May Natrural product discovery- Dr. Cody R. Goodwin Prof. Brian Bachmann, VU Chemistry Ms. Kelly Hines Mr. Seth Byers Instrumentation- Mr. Jay Forsythe Dr. John Fjeldsted, Agilent Technologies Ms. Nichole Lareau Dr. George Stafford, Agilent T
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