@article{doi:10.1139/facets-2016-0069, author = {Qi, Yulin and Luo, Ruoji and Schrader, Wolfgang and Volmer, Dietrich A.}, title = {Application of phase correction to improve the characterization of photooxidation products of lignin using 7 Tesla Fourier-transform ion cyclotron resonance mass spectrometry}, journal = {FACETS}, volume = {2}, number = {}, pages = {461-475}, year = {2017}, doi = {10.1139/facets-2016-0069}, URL = { https://doi.org/10.1139/facets-2016-0069 }, eprint = { https://doi.org/10.1139/facets-2016-0069 } , abstract = { Lignin is the second most abundant natural biopolymer and potentially a valuable alternative energy source for conventional fossil fuels. In this study, Fourier-transform ion cyclotron resonance-mass spectrometry (FTICR-MS) in conjunction with phase correction was applied to study photooxidation products of lignin using a 7 Tesla (T) mass spectrometer. The application of 7 T FTICR-MS has often been inadequate for the analysis of complex natural organic matter because of insufficient resolving power as compared with high-field FTICR, which led to incorrect assignments of elemental formulae and discontinuous plots in graphical and statistical analyses. Here, the application of phase correction to the FTICR mass spectra of lignin oxidation products greatly improved the spectral quality, and thus, readily permitted characterization of photooxidation processes of lignin compounds under simulated solar radiation conditions. } } @article {, author = {Ashfold MNR}, author = {King GA}, author = {Murdock D}, author = {Nix MGD}, author = {Oliver TAA}, author = {Sage AG}, title = {πσ* excited states in molecular photochemistry}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, pages = {1218}, year = {2010} } @article {, author = {Bae E}, author = {Yeo IJ}, author = {Jeong B}, author = {Shin Y}, author = {Shin K-H}, author = {Kim S}, title = {Study of double bond equivalents and the numbers of carbon and oxygen atom distribution of dissolved organic matter with negative-mode FT-ICR MS}, journal = {Analytical Chemistry}, volume = {83}, pages = {4193}, year = {2011} } @article {, author = {Banoub J}, author = {Delmas GH}, author = {Joly N}, author = {Mackenzie G}, author = {Cachet N}, author = {Benjelloun-Mlayah B}, title = {A critique on the structural analysis of lignins and application of novel tandem mass spectrometric strategies to determine lignin sequencing}, journal = {Journal of Mass Spectrometry}, volume = {50}, pages = {5}, year = {2015} } @article {, author = {Beu SC}, author = {Blakney GT}, author = {Quinn JP}, author = {Hendrickson CL}, author = {Marshall AG}, title = {Broadband phase correction of FT-ICR mass spectra via simultaneous excitation and detection}, journal = {Analytical Chemistry}, volume = {76}, pages = {5756}, year = {2004} } @article {, author = {Bobinger S}, author = {Andersson JT}, title = {Photooxidation products of polycyclic aromatic compounds containing sulfur}, journal = {Environmental Science \& Technology}, volume = {43}, pages = {8119}, year = {2009} } @article {, author = {Brinkmann K}, author = {Blaschke L}, author = {Polle A}, title = {Comparison of different methods for lignin determination as a basis for calibration of near-infrared reflectance spectroscopy and implications of lignoproteins}, journal = {Journal of Chemical Ecology}, volume = {28}, pages = {2483}, year = {2002} } @article {, author = {Calvo-Flores FG}, author = {Dobado JA}, title = {Lignin as renewable raw material}, journal = {ChemSusChem}, volume = {3}, pages = {1227}, year = {2010} } @article {, author = {Caravatti P}, author = {Allemann M}, title = {The “infinity cell”: a new trapped-ion cell with radiofrequency covered trapping electrodes for Fourier transform ion cyclotron resonance mass spectrometry}, journal = {Journal of Mass Spectrometry}, volume = {26}, pages = {514}, year = {1991} } @article {, author = {Cho Y}, author = {Qi Y}, author = {O’Connor PB}, author = {Barrow MP}, author = {Kim S}, title = {Application of phase correction to improve the interpretation of crude oil spectra obtained using 7 T Fourier transform ion cyclotron resonance mass spectrometry}, journal = {Journal of the American Society for Mass Spectrometry}, volume = {25}, pages = {154}, year = {2014} } @article {, author = {Comisarow MB}, title = {Comprehensive theory for ion cyclotron resonance power absorption: application to line shapes for reactive and nonreactive ions}, journal = {The Journal of Chemical Physics}, volume = {55}, pages = {205}, year = {1971} } @article {, author = {Comisarow MB}, author = {Marshall AG}, title = {Selective-phase ion cyclotron resonance spectroscopy}, journal = {Canadian Journal of Chemistry}, volume = {52}, pages = {1997}, year = {1974} } @article {, author = {D’Auria M}, author = {Emanuele L}, author = {Racioppi R}, author = {Velluzzi V}, title = {Photochemical degradation of crude oil: comparison between direct irradiation, photocatalysis, and photocatalysis on zeolite}, journal = {Journal of Hazardous Materials}, volume = {164}, pages = {32}, year = {2009} } @article {, author = {Fathalla EM}, author = {Andersson JT}, title = {Products of polycyclic aromatic sulfur heterocycles in oil spill photodegradation}, journal = {Environmental Toxicology and Chemistry}, volume = {30}, pages = {2004}, year = {2011} } @article {, author = {Griffiths MT}, author = {Da Campo R}, author = {O’Connor PB}, author = {Barrow MP}, title = {Throwing light on petroleum: simulated exposure of crude oil to sunlight and characterization using atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry}, journal = {Analytical Chemistry}, volume = {86}, pages = {527}, year = {2014} } @article {, author = {Hanson SK}, author = {Baker RT}, author = {Gordon JC}, author = {Scott BL}, author = {Thron DL}, title = {Aerobic oxidation of lignin models using a base metal vanadium catalyst}, journal = {Inorganic Chemistry}, volume = {49}, pages = {5611}, year = {2010} } @article {, author = {Hasegawa I}, author = {Inoue Y}, author = {Muranaka Y}, author = {Yasukawa T}, author = {Mae K}, title = {Selective production of organic acids and depolymerization of lignin by hydrothermal oxidation with diluted hydrogen peroxide}, journal = {Energy \& Fuels}, volume = {25}, pages = {791}, year = {2011} } @article {, author = {Islam A}, author = {Cho Y}, author = {Yim UH}, author = {Shim WJ}, author = {Kim YH}, author = {Kim S}, title = {The comparison of naturally weathered oil and artificially photo-degraded oil at the molecular level by a combination of SARA fractionation and FT-ICR MS}, journal = {Journal of Hazardous Materials}, volume = {263}, pages = {404}, year = {2013} } @article {, author = {Jonathan Amster I}, title = {Fourier transform mass spectrometry}, journal = {Journal of Mass Spectrometry}, volume = {31}, pages = {1325}, year = {1996} } @article {, author = {Kendrick E}, title = {A mass scale based on CH2 = 14.0000 for high resolution mass spectrometry of organic compounds}, journal = {Analytical Chemistry}, volume = {35}, pages = {2146}, year = {1963} } @article {, author = {Kilgour DPA}, author = {Van Orden SL}, title = {Absorption mode Fourier transform mass spectrometry with no baseline correction using a novel asymmetric apodization function}, journal = {Rapid Communications in Mass Spectrometry}, volume = {29}, pages = {1009}, year = {2015} } @article {, author = {Kilgour DPA}, author = {Wills R}, author = {Qi Y}, author = {O’Connor PB}, title = {Autophaser: an algorithm for automated generation of absorption mode spectra for FT-ICR MS}, journal = {Analytical Chemistry}, volume = {85}, pages = {3903}, year = {2013} } @article {, author = {Kiyota E}, author = {Mazzafera P}, author = {Sawaya ACHF}, title = {Analysis of soluble lignin in sugarcane by ultrahigh performance liquid chromatography–tandem mass spectrometry with a do-it-yourself oligomer database}, journal = {Analytical Chemistry}, volume = {84}, pages = {7015}, year = {2012} } @article {, author = {Lee JP}, author = {Comisarow MB}, title = {Advantageous apodization functions for magnitude-mode Fourier transform spectroscopy}, journal = {Applied Spectroscopy}, volume = {41}, pages = {93}, year = {1987} } @article {, author = {Lee JP}, author = {Comisarow MB}, title = {Advantageous apodization functions for absorption-mode Fourier transform spectroscopy}, journal = {Applied Spectroscopy}, volume = {43}, pages = {599}, year = {1989} } @article {, author = {Margeot A}, author = {Hahn-Hagerdal B}, author = {Edlund M}, author = {Slade R}, author = {Monot F}, title = {New improvements for lignocellulosic ethanol}, journal = {Current Opinion in Biotechnology}, volume = {20}, pages = {372}, year = {2009} } @article {, author = {Marshall AG}, title = {Theory for ion cyclotron resonance absorption line shapes}, journal = {The Journal of Chemical Physics}, volume = {55}, pages = {1343}, year = {1971} } @article {, author = {Marshall AG}, author = {Roe DC}, title = {Dispersion versus absorption: spectral line shape analysis for radiofrequency and microwave spectrometry}, journal = {Analytical Chemistry}, volume = {50}, pages = {756}, year = {1978} } @article {, author = {Marshall AG}, author = {Comisarow MB}, author = {Parisod G}, title = {Relaxation and spectral line shape in Fourier transform ion resonance spectroscopy}, journal = {The Journal of Chemical Physics}, volume = {71}, pages = {4434}, year = {1979} } @article {, author = {Marshall AG}, author = {Hendrickson CL}, author = {Jackson GS}, title = {Fourier transform ion cyclotron resonance mass spectrometry: a primer}, journal = {Mass Spectrometry Reviews}, volume = {17}, pages = {1}, year = {1998} } @article {, author = {Mathur R}, author = {O’Connor PB}, title = {Artifacts in Fourier transform mass spectrometry}, journal = {Rapid Communications in Mass Spectrometry}, volume = {23}, pages = {523}, year = {2009} } @article {, author = {Mohan D}, author = {Pittman CU}, author = {Steele PH}, title = {Pyrolysis of wood/biomass for bio-oil: a critical review}, journal = {Energy \& Fuels}, volume = {20}, pages = {848}, year = {2006} } @article {, author = {Owen BC}, author = {Haupert LJ}, author = {Jarrell TM}, author = {Marcum CL}, author = {Parsell TH}, author = {Abu-Omar MM}, title = {High-performance liquid chromatography/high-resolution multiple stage tandem mass spectrometry using negative-ion-mode hydroxide-doped electrospray ionization for the characterization of lignin degradation products}, journal = {Analytical Chemistry}, volume = {84}, pages = {6000}, year = {2012} } @article {, author = {Qi Y}, author = {O’Connor PB}, title = {Data processing in Fourier transform ion cyclotron resonance mass spectrometry}, journal = {Mass Spectrometry Reviews}, volume = {33}, pages = {333}, year = {2014} } @article {, author = {Qi Y}, author = {Thompson CJ}, author = {Van Orden SL}, author = {O’Connor PB}, title = {Phase correction of Fourier transform ion cyclotron resonance mass spectra using MatLab}, journal = {Journal of the American Society for Mass Spectrometry}, volume = {22}, pages = {138}, year = {2011} } @article {, author = {Qi Y}, author = {Barrow MP}, author = {Li H}, author = {Meier JE}, author = {Van Orden SL}, author = {Thompson CJ}, title = {Absorption-mode: the next generation of Fourier transform mass spectra}, journal = {Analytical Chemistry}, volume = {84}, pages = {2923}, year = {2012} } @article {, author = {Qi Y}, author = {Witt M}, author = {Jertz R}, author = {Baykut G}, author = {Barrow MP}, author = {Nikolaev EN}, title = {Absorption-mode spectra on the dynamically harmonized Fourier transform ion cyclotron resonance cell}, journal = {Rapid Communications in Mass Spectrometry}, volume = {26}, pages = {2021}, year = {2012} } @article {, author = {Qi Y}, author = {Li H}, author = {Wills RH}, author = {Perez-Hurtado P}, author = {Yu X}, author = {Kilgour DP}, title = {Absorption-mode Fourier transform mass spectrometry: the effects of apodization and phasing on modified protein spectra}, journal = {Journal of the American Society for Mass Spectrometry}, volume = {24}, pages = {828}, year = {2013} } @article {, author = {Qi Y}, author = {Hempelmann R}, author = {Volmer DA}, title = {Shedding light on the structures of lignin compounds: photo-oxidation under artificial UV light and characterization by high resolution mass spectrometry}, journal = {Analytical and Bioanalytical Chemistry}, volume = {408}, pages = {8203}, year = {2016} } @article {, author = {Qi Y}, author = {Hempelmann R}, author = {Volmer DA}, title = {Two-dimensional mass defect matrix plots for mapping genealogical links in mixtures of lignin depolymerisation products}, journal = {Analytical and Bioanalytical Chemistry}, volume = {408}, pages = {4835}, year = {2016} } @article {, author = {Reale S}, author = {Di Tullio A}, author = {Spreti N}, author = {De Angelis F}, title = {Mass spectrometry in the biosynthetic and structural investigation of lignins}, journal = {Mass Spectrometry Reviews}, volume = {23}, pages = {87}, year = {2004} } @article {, author = {Rodgers RP}, author = {McKenna AM}, title = {Petroleum analysis}, journal = {Analytical Chemistry}, volume = {83}, pages = {4665}, year = {2011} } @article {, author = {Simmons BA}, author = {Loqué D}, author = {Ralph J}, title = {Advances in modifying lignin for enhanced biofuel production}, journal = {Current Opinion in Plant Biology}, volume = {13}, pages = {312}, year = {2010} } @article {, author = {Smith DF}, author = {Kilgour DP}, author = {Konijnenburg M}, author = {O’Connor PB}, author = {Heeren RM}, title = {Absorption mode FTICR mass spectrometry imaging}, journal = {Analytical Chemistry}, volume = {85}, pages = {11180}, year = {2013} } @article {, author = {Tolbert A}, author = {Akinosho H}, author = {Khunsupat R}, author = {Naskar AK}, author = {Ragauskas AJ}, title = {Characterization and analysis of the molecular weight of lignin for biorefining studies}, journal = {Biofuels, Bioproducts and Biorefining}, volume = {8}, pages = {836}, year = {2014} } @article {, author = {Torney F}, author = {Moeller L}, author = {Scarpa A}, author = {Wang K}, title = {Genetic engineering approaches to improve bioethanol production from maize}, journal = {Current Opinion in Biotechnology}, volume = {18}, pages = {193}, year = {2007} } @article {, author = {van Krevelen DW}, title = {Graphical-statistical method for the study of structure and reaction processes of coal}, journal = {Fuel}, volume = {29}, pages = {269}, year = {1950} } @article {, author = {Xian F}, author = {Hendrickson CL}, author = {Blakney GT}, author = {Beu SC}, author = {Marshall AG}, title = {Automated broadband phase correction of Fourier transform ion cyclotron resonance mass spectra}, journal = {Analytical Chemistry}, volume = {82}, pages = {8807}, year = {2010} } @article {, author = {Xian F}, author = {Corilo YE}, author = {Hendrickson CL}, author = {Marshall AG}, title = {Baseline correction of absorption-mode Fourier transform ion cyclotron resonance mass spectra}, journal = {International Journal of Mass Spectrometry}, volume = {325–327}, pages = {67}, year = {2012} }