Analysis of gas chromatography/mass spectrometry data for catalytic lignin depolymerization using positive matrix factorization

Gao, Yu; Walker, Michael J.; Barrett, Jacob; Hosseinaei, Omid; Harper, David P.; Ford, Peter C.; Williams, Brent J.; Foston, Marcus

doi:10.1039/c8gc01474d

Cited by 10 publications

(7 citation statements)

References 61 publications

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“…9 Further details and characterization can be found in the Supporting Information. The observed Cu/Mg/Al molar ratio of 0.62/2.48/1.0 was consistent with the molecular formula Cu 1.2 Mg 4.8 Al 2 CO 3 (OH) 16 •4(H 2 O), and the BET surface area was 158 m 2 /g, which is consistent with the previous report. 9 Supporting Information Figure S1 shows the volume distribution of spherical pores as a function of the pore radii in CuPMO with a mean radius of the radial distribution of 109 Å based on the SANS analysis.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…We, and other research groups, have studied lignin disassembly via catalytic hydrogenolysis in alcohol solvents using a CuPMO catalyst. − Prior to catalyzing aryl ether hydrogenolysis, Cu within CuPMO promotes both alcohol reforming and water–gas shift reactions, resulting in a H 2 generation during the reaction. The generated H 2 can provide the necessary reducing equivalents for hydrogenolysis and hydrodeoxygenation reactions.…”

Section: Introductionmentioning

confidence: 99%

“…The generated H 2 can provide the necessary reducing equivalents for hydrogenolysis and hydrodeoxygenation reactions. Further, the CuPMO catalyst in the presence of H 2 converts lignin into an organic liquid composed mostly of aromatic compounds without coke or char formation. , In this paper, we chose to use CuPMO-mediated lignin disassembly due to the extensive ex situ characterization of CuPMO and lignin depolymerization products in published reports by our group and others. − …”

Section: Introductionmentioning

confidence: 99%

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Structural Evolution of Lignin Using In Situ Small-Angle Neutron Scattering during Catalytic Disassembly

Zhang,

Yang,

Ponukumati

et al. 2024

ACS Sustainable Chem. Eng.

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A fundamental understanding of the solution behavior of lignin under reaction conditions is required for the rational design of porous heterogeneous catalysts that minimize the mass-transfer limitations on lignin depolymerization kinetics. In situ and ex situ small-angle neutron scattering (SANS) methods were used to study the structural changes of lignin during non-catalytic solvolysis reactions in deuterated methanol (MeOH-d 4) and catalytic reactions in the presence of copper-containing porous metal oxide (CuPMO) and MeOH-d 4. The results indicate that at room temperature, lignin adopted a rigid and stretched conformation that becomes more spherical, flexible, and folded when heated to the reaction temperature of 250 °C. In the presence of CuPMO, the volume fraction of small lignin particles (<50 Å) in the reactor is higher than under solvolysis conditions, while the median radius of this fraction of lignin particles is smaller. The SANS data were analyzed using a population balance model and found that two reaction processes dominate: disassembly of large lignin aggregate particles (>50 Å) and condensation of small lignin particles (<50 Å). The study also suggests that the cooling and quenching step in the ex situ experiments alters the small lignin (<50 Å) particle size distribution.

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Section: ■ Materials and Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Structural Evolution of Lignin Using In Situ Small-Angle Neutron Scattering during Catalytic Disassembly

Zhang,

Yang,

Ponukumati

et al. 2024

ACS Sustainable Chem. Eng.

Self Cite

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“…Running PMF on chromatographic data may be able to generate species-specific mass spectra for compounds that cannot be obtained directly. PMF has been applied in the past to GC-MS data (Zhang et al, 2014(Zhang et al, , 2016Gao et al, 2018), but not to High Performance Liquid Chromatography (HPLC) data, which is better suited for oxidized SOA species than GC, to our knowledge. AMS detection following HPLC separation has been conducted previously (Farmer et al, 2010) to explore AMS spectra of the separate compounds, but not for quantification.…”

mentioning

confidence: 99%

A multi-instrumental approach for calibrating two real-time mass spectrometers using high performance liquid chromatography and positive matrix factorization

Schueneman,

Day,

Kim

et al. 2024

Preprint

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Abstract. Obtaining quantitative information from real-time soft-ionization aerosol instruments such as an Extractive Electrospray time-of-flight Mass Spectrometer (EESI) can be challenging, due to many individual species having different, and often hard to predict, sensitivities. Directly calibrating is time-consuming and relevant standards are often hard to obtain. In addition, the molecular identities of many of the sampled species may be ambiguous. Bulk OA sensitivities are sometimes used to estimate molecular sensitivities, but different types of OA can have bulk sensitivities that vary by a factor of ~10. A system to separate the compounds present in complex samples can enable their direct calibration. Here, high performance liquid chromatography (HPLC) followed by aerosol formation via atomization was combined with online, 1 Hz measurements to calibrate the EESI and a High Resolution Aerosol Mass Spectrometer (AMS) for compounds present in a secondary organic aerosol (SOA) mixture. Pure compounds were used to test the method and characterize its uncertainties. Pure compound calibration factors were consistent within ±20 % for direct atomization vs. HPLC separation, which is far superior to the orders of magnitude sensitivity differences that are possible with EESI. For species that were not well separated by chromatography, Positive Matrix Factorization (PMF) based on AMS spectra was used to test its ability to separate overlapping species. In two test cases, further separation was achieved using PMF, but derived sensitivities from direct and HPLC calibrations varied by up to a factor of 2.

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“…β-β, β-5, 5-5'), as quais são apresentadas na Figura 4B. 43,44 46 Será destacada nesta tese, a química de desidratação de carboidratos para a produção de derivados furânicos como blocos construtores.…”

Section: Química De Biomassaunclassified

Síntese de novos líquidos iônicos e misturas eutéticas a partir de matérias-primas renováveis para conversão química de biomassa

Rodrigues Gomes

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Com imensa gratidão, eu agradeço as pessoas que contribuíram nessa trajetória desses últimos 4 anos, sem vocês essa história não seria a mesma, MUITO OBRIGADO!!! Primeiramente, eu agradeço aos meus pais, Edson e Rose, por todo o apoio que recebo em cada etapa de minha vida, nada disso teria sido conquistado se não fosse o amor incondicional, educação e dedicação de vocês. Minha família, minha fortaleza, meu porto seguro, amo vocês.À minha família, por sempre estarem presente por mais distante que eu esteja, em especial minha vó Dulce, tia Jana, tio Mané, tio Dir, vocês fazem parte dessa conquista. Em memória aos meus queridos avós, vô Tião, vô Pedro e vó Nilda, saudades.Ao Professor Julio Pastre, por esses anos de orientação, por contribuir para o meu desenvolvimento pessoal.A todos os membros do Pastre Group, em especial ao Henrique Marçon, Renan Rodini,

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Analysis of gas chromatography/mass spectrometry data for catalytic lignin depolymerization using positive matrix factorization

Abstract: Various catalytic technologies are being developed to efficiently convert lignin into renewable chemicals.

Cited by 10 publications

References 61 publications

Structural Evolution of Lignin Using In Situ Small-Angle Neutron Scattering during Catalytic Disassembly

Structural Evolution of Lignin Using In Situ Small-Angle Neutron Scattering during Catalytic Disassembly

A multi-instrumental approach for calibrating two real-time mass spectrometers using high performance liquid chromatography and positive matrix factorization

Síntese de novos líquidos iônicos e misturas eutéticas a partir de matérias-primas renováveis para conversão química de biomassa

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