A combined liquid chromatography - trapped ion mobility - tandem high-resolution mass spectrometry and multivariate analysis approach for the determination of enzymatic reactivity descriptors in biomass hydrolysates.

Intermediate products such as oxygenated compounds may interfere with bioconversion kinetics of lignocellulosic biomass into bioethanol. This work presents a multidimensional approach, based on liquid chromatography (LC), trapped ion mobility spectrometry (TIMS), tandem high-resolution mass spectrometry (HRMS/MS), and multivariate analysis, for the identification of enzymatic reactivity descriptors in 22 industrial biomass samples, called hydrolysates. The first part of the study is dedicated to the improvement of the chemical diversity assessment of the hydrolysates through an original three-dimensional Van Krevelen diagram displaying the double bond equivalent (DBE) as third dimension.

On-line two-dimensional liquid chromatography hyphenated to mass spectrometry and ion mobility-mass spectrometry for the separation of carbohydrates from lignocellulosic biomass.

Lignocellulosic biomass is a promising resource of renewable energy. Its transformation to ethanol requires efficient pretreatment leading to complex liquid mixtures made of hundreds of oxygenated analytes. A large part of the released compounds belong to the carbohydrates family.

Input of an Off-Line, Comprehensive, Three-Dimensional Method (CPC×SFC/HRMS) to Quantify Polycyclic Aromatic Hydrocarbons in Vacuum Gas Oils.

Heavy polycyclic aromatic hydrocarbons (HPAHs) are known to cause undesirable effects in petroleum hydrocracking processes by deactivating the catalysts and accumulating in the downstream of reactors. Polycyclic aromatic hydrocarbons with less than seven rings (PAHs) naturally contained in vacuum gas oils (VGOs) act as precursors in the HPAHs formation. However, getting a detailed quantitative characterization of such polycyclic hydrocarbons has never been done until now, because of the high chemical complexity of VGOs.

Comprehensive two-dimensional liquid chromatography with inductively coupled plasma mass spectrometry detection for the characterization of sulfur, vanadium and nickel compounds in petroleum products.

The petroleum industry is increasingly concerned with the conversion of vacuum residues as a consequence of decreased conventional crude oil availability. The compositional analysis of heavy oil products has become a key step in conversion processes, but the complexity of these oil matrices tends to increase with their boiling point. In this study, comprehensive two-dimensional liquid chromatography (LCxLC) coupled to inductively coupled mass spectrometry (ICP-MS/MS) is considered with a view to meet new requirements and to bring additional information regarding the species present in these matrices.

Characterization of liquid-liquid extraction fractions from lignocellulosic biomass by high performance liquid chromatography hyphenated to tandem high-resolution mass spectrometry.

The conversion of lignocellulosic biomass is a major challenge in the field of renewable energies and bio-based chemicals. The diversity of biomasses and processes leads to complex products having a wide range of polarities and molecular weights. Nowadays, the molecular description of these oxygenated matrices is still largely incomplete and new analytical strategies are required to have a better understanding of biomass products properties.

Off-line comprehensive size exclusion chromatography × reversed-phase liquid chromatography coupled to high resolution mass spectrometry for the analysis of lignocellulosic biomass products.

Biochemical and thermochemical processes are two pathways to convert lignocellulosic biomass into fuels and chemicals. Both conversion types produce aqueous complex samples containing many oxygenated chemical functions over a wide range of masses. Nowadays, composition of these biomass products is still largely unknown, especially their nonvolatile part (300-1000 Da) mostly made of carbohydrates and their derivatives.

A rational strategy based on experimental designs to optimize parameters of a liquid chromatography-mass spectrometry analysis of complex matrices.

A high number of factors controlled by the experimenter has to be optimized to successfully separate, ionize and detect compounds when analyzing complex matrices by liquid chromatography hyphenated to high resolution mass spectrometry (LC-UV/MS). Key steps to manage such hyphenation are focused on desolvation and ionization processes. In this study, a design of experiments approach was used to optimize decisive parameters (i.

Suitable interface for coupling liquid chromatography to inductively coupled plasma-mass spectrometry for the analysis of organic matrices. 2 Comparison of Sample Introduction Systems.

Liquid chromatography (LC) coupled with a specific detection such as inductively coupled plasma-mass spectrometry (ICP-MS/MS) is a technique of choice for elementary speciation analysis for complex matrices. The analysis of organic matrices requires the introduction of volatile solvents into the plasma which is an analytical challenge for this coupling technique. Detection sensitivity can be significantly affected by instrumental limitations.

Centrifugal partition chromatography as a fractionation tool for the analysis of lignocellulosic biomass products by liquid chromatography coupled to mass spectrometry.

The conversion of lignocellulosic biomass into biofuels and bio-products leads to oxygenated matrices having a wide range of polarities and molecular weights. A complete analytical characterization of these complex mixtures is necessary to improve conversion processes. In this study, an innovative centrifugal partition chromatography (CPC) protocol was developed to fractionate aqueous biomass samples with a MTBE-water solvent system, by mixing elution, displacement and extrusion modes in the same run.

Suitable interface for coupling liquid chromatography to inductively coupled plasma-mass spectrometry for the analysis of organic matrices. 1 Theoretical and experimental considerations on solute dispersion.

Liquid chromatography (LC) hyphenated to a specific detection such as inductively coupled plasma-mass spectrometry (ICP-MS) is a technique of choice for elemental speciation analysis. However, various instrumental limitations may considerably reduce the expected sensitivity of the technique. Among those, we were interested by the solute dispersion into the interface located between LC and ICP-MS.

Centrifugal partition chromatography a first dimension for biomass fast pyrolysis oil analysis.

Biomass fast pyrolysis oils contain molecules having a large variety of chemical functions and a wide range of molecular weights (from several tens to several thousand grams per mole). The good knowledge of their complex composition is essential for optimizing the conversion of bio-oils to biofuels, thereby requiring powerful separation techniques. In this work, we investigate the interest of centrifugal partition chromatography (CPC) as a first dimension for the analysis of a bio-oil.

Ultra-high performance supercritical fluid chromatography hyphenated to atmospheric pressure chemical ionization high resolution mass spectrometry for the characterization of fast pyrolysis bio-oils.

Extensive characterization of complex mixtures requires the combination of powerful analytical techniques. A Supercritical Fluid Chromatography (SFC) method was previously developed, for the specific case of fast pyrolysis bio oils, as an alternative to gas chromatography (GC and GC × GC) or liquid chromatography (LC and LC × LC), both separation methods being generally used prior to mass spectrometry (MS) for the characterization of such complex matrices. In this study we investigated the potential of SFC hyphenated to high resolution mass spectrometry (SFC-HRMS) for this characterization using Negative ion Atmospheric Pressure Chemical ionization ((-)APCI) for the ionization source.

Development of a supercritical fluid chromatography method with ultraviolet and mass spectrometry detection for the characterization of biomass fast pyrolysis bio oils.

The characterization of complex mixtures is a challenging issue for the development of innovative processes dedicated to biofuels and bio-products production. The huge number of compounds present in biomass fast pyrolysis oils combined with the large diversity of chemical functions represent a bottleneck as regards analytical technique development. For the extensive characterization of complex samples, supercritical fluid chromatography (SFC) can be alternative to usual separation techniques such as gas (GC) or liquid chromatography (LC).

Potential and limitations of on-line comprehensive reversed phase liquid chromatography×supercritical fluid chromatography for the separation of neutral compounds: An approach to separate an aqueous extract of bio-oil.

On-line comprehensive Reversed Phase Liquid Chromatography×Supercritical Fluid Chromatography (RPLCxSFC) was investigated for the separation of complex samples of neutral compounds. The presented approach aimed at overcoming the constraints involved by such a coupling. The search for suitable conditions (stationary phases, injection solvent, injection volume, design of interface) are discussed with a view of ensuring a good transfer of the compounds between both dimensions, thereby allowing high effective peak capacity in the second dimension.

Development of on-line comprehensive two-dimensional liquid chromatography method for the separation of biomass compounds.

Comprehensive on-line two-dimensional liquid chromatography (on-line LC × LC) was used for the characterization of bio-oils obtained by fast pyrolysis of lignocellulosic biomass. The resulting bio-oil contains a large number of oxygenated chemical families and must therefore be upgraded before being used as drop-in transportation biofuels. The good knowledge of its complex composition is essential for optimizing the mandatory bio-oil upgrading process to biofuels, thereby requiring powerful separation techniques designed to be hyphenated to mass spectrometry detection (LC × LC-MS).