Portable combination of Fourier transform infrared spectroscopy and differential mobility spectrometry for advanced vapor phase analysis.

Designing mobile devices for the analysis of complex sample mixtures containing a variety of analytes at different concentrations across a large dynamic range remains a challenging task in many analytical scenarios. To meet this challenge, a compact hybrid analytical platform has been developed combining Fourier transform infrared spectroscopy based on substrate-integrated hollow waveguides (iHWG-FTIR) with gas chromatography coupled differential mobility spectrometry (GC-DMS). Due to the complementarity of these techniques regarding analyte type and concentration, their combination provides a promising tool for the detection of complex samples containing a broad range of molecules at different concentrations. To date, the combination of infrared spectroscopy and ion mobility techniques remains expensive and bound to a laboratory utilizing e.g. IMS as prefilter or IR as ionization source. In the present study, a cost-efficient and portable solution has been developed and characterized representing the first truly hyphenated IR-DMS system. As a model analyte mixture, 5 ppm isopropylmercaptan (IPM) in methane (CH4) were diluted, and the concentration-dependent DMS signal of IPM along with the concentration-dependent IR signal of CH4 were recorded for all three hybrid IR-DMS systems. While guiding the sample through the iHWG-FTIR or the GC-DMS first did not affect the obtained signals, optimizing the IR data acquisition parameters did benefit the analytical results.

[1]  J. White,et al.  Seleniranium Ions Undergo π-Ligand Exchange via an Associative Mechanism in the Gas Phase. , 2017, The Journal of organic chemistry.

[2]  H. Löhmannsröben,et al.  IR-MALDI ion mobility spectrometry , 2016, Analytical and Bioanalytical Chemistry.

[3]  Cristina E Davis,et al.  Supervised semi-automated data analysis software for gas chromatography / differential mobility spectrometry (GC/DMS) metabolomics applications , 2016, International Journal for Ion Mobility Spectrometry.

[4]  B. Mizaikoff,et al.  Online analysis of H2S and SO2 via advanced mid-infrared gas sensors. , 2015, Analytical chemistry.

[5]  J. Miller,et al.  Statistics and chemometrics for analytical chemistry , 2005 .

[6]  Boris Mizaikoff,et al.  iHWG-ICL: Methane Sensing with Substrate-Integrated Hollow Waveguides Directly Coupled to Interband Cascade Lasers , 2016 .

[7]  T. Rizzo,et al.  Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin. , 2015, Physical chemistry chemical physics : PCCP.

[8]  D. W. Scott,et al.  2-propanethiol: experimental thermodynamic studies from 12 to 500/sup 0/K. The chemical thermodynamic properties from 0 to 1000/sup 0/K , 1954 .

[9]  Melissa D. Krebs,et al.  Species-specific bacteria identification using differential mobility spectrometry and bioinformatics pattern recognition. , 2005, Analytical chemistry.

[10]  Melissa D. Krebs,et al.  Detection of biological and chemical agents using differential mobility spectrometry (DMS) technology , 2005, IEEE Sensors Journal.

[11]  N. Coggeshall,et al.  Infrared Absorption Studies of Carbon-Hydrogen Stretching Frequencies in Sulfurized and Oxygenated Materials , 1951 .

[12]  Z. Mester,et al.  Review of applications of high-field asymmetric waveform ion mobility spectrometry (FAIMS) and differential mobility spectrometry (DMS). , 2007, The Analyst.

[13]  Erkinjon G. Nazarov,et al.  Resistively heated temperature programmable silicon micromachined gas chromatography with differential mobility spectrometry , 2012, International Journal for Ion Mobility Spectrometry.

[14]  Cristina E Davis,et al.  Two-dimensional wavelet analysis based classification of gas chromatogram differential mobility spectrometry signals. , 2009, Analytica chimica acta.

[15]  G. Glish,et al.  Probing Mobility-Selected Saccharide Isomers: Selective Ion-Molecule Reactions and Wavelength-Specific IR Activation. , 2015, The journal of physical chemistry. A.

[16]  Jeffrey T. Roberts,et al.  Surface chemistry of aerosolized silicon nanoparticles: evolution and desorption of hydrogen from 6-nm diameter particles. , 2007, Journal of the American Chemical Society.

[17]  Michael J Schirle,et al.  Coupling a branch enclosure with differential mobility spectrometry to isolate and measure plant volatiles in contained greenhouse settings. , 2016, Talanta.

[18]  Reza Ehsani,et al.  Detection of Huanglongbing disease using differential mobility spectrometry. , 2014, Analytical chemistry.

[19]  Paula R. Fortes,et al.  Optimized design of substrate-integrated hollow waveguides for mid-infrared gas analyzers , 2014 .

[20]  B. Mizaikoff,et al.  Toward the quantification of the 13CO2/12CO2 ratio in exhaled mouse breath with mid-infrared hollow waveguide gas sensors , 2011, Analytical and Bioanalytical Chemistry.

[21]  E. Constant,et al.  FAIMS-MS-IR spectroscopy workflow: a multidimensional platform for the analysis of molecular isoforms , 2017, International Journal for Ion Mobility Spectrometry.

[22]  J. Mantese,et al.  Effect of water vapor and formaldehyde detection with differential mobility spectrometry , 2012, International Journal for Ion Mobility Spectrometry.

[23]  R. Marks,et al.  Effect of the humidity on analysis of aromatic compounds with planar differential ion mobility spectrometry , 2015, International Journal for Ion Mobility Spectrometry.

[24]  M. Quack,et al.  Survey of the high resolution infrared spectrum of methane ((12)CH4 and (13)CH4): partial vibrational assignment extended towards 12,000 cm(-1.). , 2014, The Journal of chemical physics.

[25]  Boris Mizaikoff,et al.  Monitoring of hydrogen sulfide via substrate-integrated hollow waveguide mid-infrared sensors in real-time. , 2014, The Analyst.

[26]  G. Lothian Beer's law and its use in analysis. A review , 1963 .

[27]  J. Vieillard,et al.  Atmospheric Solid Analysis Probe-Ion Mobility Mass Spectrometry: An Original Approach to Characterize Grafting on Cyclic Olefin Copolymer Surfaces. , 2015, Langmuir : the ACS journal of surfaces and colloids.

[28]  J. D. Tate,et al.  Instrumental Resolution Considerations for Fourier Transform Infrared Gas-Phase Spectroscopy , 1997 .

[29]  R. A. Miller,et al.  Quantitative determination of n-alkanethiols in air and in a blended gas mixture of methane with air by gas chromatography/differential mobility spectrometry , 2009 .

[30]  P. Dugourd,et al.  Gas-Phase Structure of Amyloid-β (12 – 28) Peptide Investigated by Infrared Spectroscopy, Electron Capture Dissociation and Ion Mobility Mass Spectrometry , 2013, Journal of The American Society for Mass Spectrometry.

[31]  F. Tureček,et al.  Assigning structures to gas-phase peptide cations and cation-radicals. An infrared multiphoton dissociation, ion mobility, electron transfer, and computational study of a histidine peptide ion. , 2012, The journal of physical chemistry. B.

[32]  Boris Mizaikoff,et al.  Substrate-integrated hollow waveguides: a new level of integration in mid-infrared gas sensing. , 2013, Analytical chemistry.

[33]  R. A. Miller,et al.  Separation of ions from explosives in differential mobility spectrometry by vapor-modified drift gas. , 2004, Analytical chemistry.

[34]  Boris Mizaikoff,et al.  iPRECON: an integrated preconcentrator for the enrichment of volatile organics in exhaled breath , 2015 .

[35]  K. Pagel,et al.  An infrared spectroscopy approach to follow β-sheet formation in peptide amyloid assemblies. , 2017, Nature chemistry.

[36]  S. Guha,et al.  Tumor necrosis factor interaction with gold nanoparticles. , 2012, Nanoscale.

[37]  J. Kauppinen,et al.  Nonlinearity of Beer's Law in Gas-Phase FT-IR Spectroscopy , 2001 .

[38]  B. Mizaikoff,et al.  iCONVERT: an integrated device for the UV-assisted determination of H2S via mid-infrared gas sensors. , 2015, Analytical chemistry.

[39]  O. A. von Lilienfeld,et al.  Water on BN doped benzene: a hard test for exchange-correlation functionals and the impact of exact exchange on weak binding. , 2014, The Journal of chemical physics.

[40]  Michael Schivo,et al.  Design-of-experiment optimization of exhaled breath condensate analysis using a miniature differential mobility spectrometer (DMS). , 2008, Analytica chimica acta.

[41]  Michael Z. Kamrath,et al.  Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase. , 2016, Journal of the American Chemical Society.