Article
Chemistry, Multidisciplinary
Yao Qian, Xiangyu Guo, Yunfang Wang, Zheng Ouyang, Xiaoxiao Ma
Summary: A mobility-modulated sequential dissociation (MMSD) strategy was developed for mass spectrometry imaging, enabling spatial lipidomics capable of multiplexed MS/MS imaging of 24 structurally distinct lipids. The method revealed a potential biomarker in a human hepatocellular carcinoma tissue.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemical Research Methods
Robert L. C. Voeten, Bram van de Put, Jan Jordens, Ynze Mengerink, Ron A. H. Peters, Rob Haselberg, Govert W. Somsen
Summary: The TIMS-QTOFMS technique, combined with ESI, is capable of distinguishing between linear and branched isomeric polyester oligomers. By providing both mobility and m/z data, TIMS-MS allows for the construction of EIMs showing conformational differences among isomers, with branching information obtained in less than 1 minute of analysis time.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Multidisciplinary Sciences
Teruyuki Hara, Atsunori Sonoi, Takuya Handa, Masayuki Okamoto, Eri Kaneko, Reiko Ikeda, Taichi Habe, Hidetake Fujinaka, Shigeto Inoue, Tetsuo Ichikawa
Summary: The study revealed that immersion in an unsaturated fatty acid salt solution effectively removes biofilms on dentures, aiding in the elimination of Candida. The localization of the fatty acid salt at the biofilm/denture-resin interface was identified as a crucial factor for removal efficacy.
SCIENTIFIC REPORTS
(2021)
Article
Biochemical Research Methods
Carla Kirschbaum, Kim Greis, Maike Lettow, Sandy Gewinner, Wieland Schoellkopf, Gerard Meijer, Gert von Helden, Kevin Pagel
Summary: This study successfully investigates unsaturated fatty acid double bond isomers in the gas phase without chemical treatment or modification of the ion source, by forming non-covalent adducts. Combining cryogenic gas-phase infrared spectroscopy, ion mobility-mass spectrometry, and computational modeling, subtle differences between double bond isomers are revealed, confirming three-dimensional geometries constrained by non-covalent ion-molecule interactions. The research explores new avenues for distinguishing lipid double bond isomers and sets the stage for further investigations utilizing coordinating cations to increase resolution.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Review
Chemistry, Analytical
Daniel G. Delafield, Gaoyuan Lu, Cameron J. Kaminsky, Lingjun Li
Summary: Mass spectrometry-based biomolecular analyses have become popular in research settings. Gas phase ion separation techniques provide a fourth dimension of analysis, enabling rapid characterization and high throughput profiling. This review highlights the latest developments and applications of high-end ion-mobility enabled instruments and their advantages for biomolecular research.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Applied
Minna Juvonen, Edwin Bakx, Henk Schols, Maija Tenkanen
Summary: This study investigated the potential of using TWIMS and CID-TWIMS-MS/MS to separate cereal-derived isomeric arabinoxylanoligosaccharides (A)XOS. The triand pentasaccharide isomers were distinguishable by the ATDs of the precursor ions, while CID-TWIMS-MS/MS could effectively separate isomeric fragment ions produced from tetra- and pentasaccharide (A)XOS. The base peak mobility spectrum was also introduced as a practical tool for (A)XOS fingerprinting.
Article
Chemistry, Multidisciplinary
Karen E. Butler, Yoshihiko Takinami, Adam Rainczuk, Erin S. Baker, Blaine R. Roberts
Summary: Native mass spectrometry combined with IMS-MS technology can be used to study the tertiary and quaternary structure of proteins, validate other structural determination methods, and provide more comprehensive structural information.
FRONTIERS IN CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jan Leipert, Philipp T. Kaulich, Max K. Steinbach, Britta Steer, Konrad Winkels, Christine Blurton, Matthias Leippe, Andreas Tholey
Summary: Researchers have developed a sample preparation method based on protein aggregation and acidic elution, allowing for sensitive protein identification analysis of single nematodes on a digital microfluidics device. Compared to in-tube sample preparation, this method increases proteoform identifications by 46%. Label-free quantification also reveals changes in proteoform abundance that cannot be distinguished by bottom-up proteomics. This workflow facilitates proteoform-focused analysis on limited availability samples.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Analytical
Katie M. Kohoutek, Peter de B. Harrington
Summary: Electrospray ionization ion mobility mass spectrometry (ESI-IMS-MS) is a rapidly progressing analytical technique that examines complex compounds in the gas phase. It separates isomers, provides structural information, and quantitatively identifies various compounds in biological samples. ESI-IMS-MS has wide applications in pharmaceutical, environmental, and manufacturing industries.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2023)
Article
Polymer Science
Kewei Ren, Yunting Tsai
Summary: Unsaturated polyester resin (UP) mixed with hardeners exhibited thermal runaway reactions, which were studied to prevent UP explosion. Results showed that a mixing proportion of 3:1 provided a safer polymerization process for UP.
Article
Chemistry, Analytical
Ludwig R. Sinn, Sven H. Giese, Marchel Stuiver, Juri Rappsilber
Summary: Ion-mobility spectrometry has the potential to solve analytically challenging research questions by adding an extra separation dimension to liquid chromatography-mass spectrometry. By using machine learning, the understanding of field asymmetric waveform ion-mobility spectrometry for the analysis of cross-linked peptides has been deepened and ideal compensation voltages correlating with chromatography fraction number have been identified.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Jake Breen, Mahin Hashemihedeshi, Roshanak Amiri, Frank L. Dorman, Karl J. Jobst
Summary: Gas chromatography multiplexed with cyclic ion mobility mass spectrometry is a comprehensive two-dimensional separation technique that can resolve compounds that would otherwise coelute in a single-dimension separation. The present study demonstrates a method to mitigate wrap-around in cyclic ion mobility, allowing for non-targeted interpretation of experiments while maintaining the benefits of peak capacities.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Javier Sastre Torano, Oier Aizpurua-Olaizola, Na Wei, Tiehai Li, Luca Unione, Gonzalo Jimenez-Oses, Francisco Corzana, Victor J. Somovilla, Juan M. Falcon-Perez, Geert-Jan Boons
Summary: This study introduces a method to identify isomeric N-glycans based on gas phase conformer distributions, using well-defined synthetic glycans for systematic research and calculating CD fingerprints through molecular dynamics simulations to establish a library for structure identification.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Review
Chemistry, Analytical
Hector Guillen-Alonso, Ignacio Rosas-Roman, Robert Winkler
Summary: 3D-printing has revolutionized rapid prototyping in analytical chemistry, particularly in ion studies where custom components and gadgets significantly enhance existing mass spectrometry systems. The fast turnover of design improvements enabled by permissive licenses has led to a community-driven development, offering economic advantages for public research and education.
ANALYTICAL METHODS
(2021)
Article
Food Science & Technology
Sha Yan, Xuan Wang, Minghui Sun, Wenqian Wang, Liming Wu, Xiaofeng Xue
Summary: Royal jelly is a popular nutraceutical with unique lipid composition, including phospholipids and trans-10-hydroxy-2-decenoic acid. This study found that the lipid composition of royal jelly is influenced by its botanical origin.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Multidisciplinary Sciences
Matthieu Leuillier, Thomas Duflot, Severine Menoret, Hind Messaoudi, Zoubir Djerada, Deborah Groussard, Raphael G. P. Denis, Laurence Chevalier, Ahmed Karoui, Baptiste Panthu, Pierre-Alain Thiebaut, Isabelle Schmitz-Afonso, Severine Nobis, Cynthia Campart, Tiphaine Henry, Camille Sautreuil, Serge H. Luquet, Olivia Beseme, Catherine Feliu, Helene Peyret, Lionel Nicol, Jean-Paul Henry, Sylvanie Renet, Paul Mulder, Debin Wan, Laurent Tesson, Jean-Marie Heslan, Angeline Duche, Sebastien Jacques, Frederic Ziegler, Valery Brunel, Gilles J. P. Rautureau, Christelle Monteil, Jean-Luc do Rego, Jean-Claude do Rego, Carlos Afonso, Bruce Hammock, Anne-Marie Madec, Florence Pinet, Vincent Richard, Ignacio Anegon, Christophe Guignabert, Christophe Morisseau, Jeremy Bellien
Summary: The physiological role of the N-terminal phosphatase activity (sEH-P) of soluble epoxide hydrolase (sEH-H) was investigated using CRISPR/Cas9 to generate a knock-in (KI) rat line lacking sEH-P activity. The study found that sEH-P KI rats exhibited decreased metabolism of lysophosphatidic acids, decreased weight and fat mass gain, and increased insulin sensitivity. Moreover, sEH-P KI rats showed increased lipolysis and enhanced energy expenditure, which potentiated brown adipose thermogenesis. Additionally, sEH-P KI rats fed a high-fat diet did not experience weight gain, fat mass accumulation, insulin resistance, or hepatic steatosis, and they also exhibited enhanced cardiac mitochondrial activity and protection against ischemia-reperfusion injury. Overall, the findings highlight the importance of sEH-P in energy and fat metabolism and its potential therapeutic significance in the management of obesity and cardiac complications.
JOURNAL OF ADVANCED RESEARCH
(2023)
Article
Environmental Sciences
Ana Teresa Juarez-Facio, Tiphaine Rogez-Florent, Clemence Meausoone, Clement Castilla, Melanie Mignot, Christine Devouge-Boyer, Helene Lavanant, Carlos Afonso, Christophe Morin, Nadine Merlet-Machour, Laurence Chevalier, Francois-Xavier Ouf, Cecile Corbiere, Jerome Yon, Jean-Marie Vaugeois, Christelle Monteil
Summary: Gasoline emissions contain high levels of pollutants, while biofuels represent a promising alternative. However, there is limited research on the health effects of alternative fuels. This study compared the adverse effects of gasoline and biofuel emissions on human bronchial epithelial cells. The results showed that biofuels Surrogates generated toxic effects similar to gasoline Surrogates, possibly through different toxicity pathways.
Article
Astronomy & Astrophysics
Julien Maillard, Nathalie Carrasco, Christopher P. Ruger, Audrey Chatain, Isabelle Schmitz-Afonso, Chad R. Weisbrod, Laetitia Bailly, Emilie Petit, Thomas Gautier, Amy M. McKenna, Carlos Afonso
Summary: Photochemical hazes could form and affect the chemical and radiative balance of exoplanets in the habitable zone, serving as cloud condensation nuclei in the presence of humidity. This study explores the interaction between photochemical hazes and humidity on the organic composition and the generation of prebiotic organic molecules.
Article
Energy & Fuels
Oscar Lacroix-Andrivet, Julie Guillemant, Anna Luiza Mendes Siqueira, Marie Hubert-Roux, Corinne Loutelier-Bourhis, Brice Bouyssiere, Pierre Giusti, Carlos Afonso
Summary: Long-term aging of bitumen leads to the formation of oxidation products, affecting its properties. Aggregations of polar molecules and aliphatic compounds are observed in asphaltene and wax fractions respectively, which can be studied using gel permeation chromatography (GPC). Fourier transform ion cyclotron resonance (FTICR) was used to characterize oxidative aging and ionization sources were used to differentiate between LMW and HMW fractions. Results show that oxidation products are found in LMW fraction, while aggregate molecules in HMW fraction are protected from oxidation.
Article
Biochemical Research Methods
Jason Devaux, Melanie Mignot, Florent Rouviere, Isabelle Francois, Carlos Afonso, Sabine Heinisch
Summary: Bio-oils obtained from biomass conversion are a promising source of energy. However, they require additional treatments before they can be used as biofuels. The characterization of bio-oils is difficult due to their complex compositions. By combining reversed-phase liquid chromatography and supercritical fluid chromatography, the characterization of bio-oils can be improved. The optimized setup was used to analyze microalgae bio-oils and showed good results with high reproducibility and complementarity between the two chromatographic techniques.
JOURNAL OF CHROMATOGRAPHY A
(2023)
Article
Biochemical Research Methods
Maxime Sueur, Julien F. Maillard, Oscar Lacroix-Andrivet, Christopher P. Rueger, Pierre Giusti, Helene Lavanant, Carlos Afonso
Summary: Complex molecular mixtures are common in various research fields, and ultrahigh-resolution mass spectrometry is widely used for their characterization. However, the large amounts of data acquired in this technique require tedious data treatment and visualization. To address this challenge, we developed an open-source software called PyC2MC, which allows for efficient data processing and visualization of complex molecular composition.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Review
Biochemistry & Molecular Biology
Estelle Deschamps, Valentina Calabrese, Isabelle Schmitz, Marie Hubert-Roux, Denis Castagnos, Carlos Afonso
Summary: Pharmaceutical analysis is a complex science that involves various disciplines and covers drug development to its impact on health and the environment. The pharmaceutical industry is heavily regulated, requiring powerful analytical instrumentation and efficient methods. Mass spectrometry, especially ultra-high-resolution mass spectrometry with Fourier transform instruments, has been increasingly used in pharmaceutical analysis for research and routine quality controls. This review summarizes the principles and applications of Fourier transform mass spectrometers in pharmaceutical analysis.
Article
Energy & Fuels
Martha L. Chacon-Patino, Charlotte Mase, Julien Florent Maillard, Caroline Barrere-Mangote, David C. Dayton, Carlos Afonso, Pierre Giusti, Ryan P. Rodgers
Summary: This study characterized the molecular features of loblolly pine bio-oil and its hydrotreated effluents using mass spectrometry techniques. The molecular data revealed compositional changes over time and highlighted the impacts of catalyst fouling or deactivation. The study also identified specific reaction pathways during hydrotreatment and provided important molecular formula information for future bio-oil upgrading research.
Article
Chemistry, Physical
Julien Florent Maillard, Julien Demeaux, Charlotte Mase, Antonin Gajan, Cecile Tessier, Patrick Bernard, Carlos Afonso, Pierre Giusti
Summary: This article presents a method of molecular imaging of the solid-electrolyte interface (SEI) in lithium-ion batteries using laser desorption ionization (LDI) coupled with Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS). The method allows for the identification and exclusion of suspected molecules in the SEI and the observation of thousands of unknown species, which could contribute to a better understanding of the surface composition.
JOURNAL OF POWER SOURCES
(2023)
Article
Biochemical Research Methods
Charlotte Mase, Julien F. F. Maillard, Simon Marcuz, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti
Summary: Various alternatives to fossil fuels have been developed in recent years, including the production of bio-oils from lignocellulosic-based biomass through pyrolysis. However, bio-oils contain heteroatoms, especially oxygen atoms, which need to be removed by upgrading. This study aims to evaluate the usefulness of laser desorption ionization (LDI) and matrix-assisted laser desorption/ionization (MALDI) techniques on lignocellulosic biomass-based bio-oils. The results showed that MALDI provides more information than LDI, and certain matrices can selectively ionize different compound families.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Materials Science, Multidisciplinary
Sigita Grauzeliene, Anne-Sophie Schuller, Christelle Delaite, Jolita Ostrauskaite
Summary: The objective of this research was to synthesize sustainable polymers with an environmentally friendly strategy combining the benefits of renewable resources, UV curing, and vitrimers. Two biobased monomers were chosen for the preparation of UV-curable resins and tested for suitability in 3D printing. The synthesized vitrimer showed shape memory, weldability, and repairability properties.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Engineering, Mechanical
Oscar Lacroix-Andrivet, Marie Hubert-Roux, Corinne Loutelier Bourhis, Samira Moualdi, Anna Luiza Mendes Siqueira, Carlos Afonso
Summary: Automotive formulated lubricants are composed of 80% base oil and 20% additives, and are exposed to factors like high temperature and oxidation, causing degradation. Fourier transform ion cyclotron resonance mass spectrometry was used to analyze a native lubricant and its different oxidized states. Aging of lubricants was characterized by the consumption of certain additive families and the emergence of oxidation products. Different interaction products were observed, along with additive degradation products.
Article
Chemistry, Inorganic & Nuclear
Liva Dzene, Anne-Sophie Schuller, Frederyck Tidas, Severinne Rigolet, Jocelyne Brendle, Christelle Delaite
Summary: Composite materials exhibit improved properties compared to pristine materials, especially when the filler is homogeneously dispersed in the matrix. This study suggests an innovative approach of forming a talc-like structure directly in a polymer matrix using a silanized polymer as the silicon source. Poly(ethylene glycol) methyl ether of different average molar masses (M-n = 350, 500, 750, 1900 g mol(-1)) were functionalized with (3-isocyanatopropyl)triethoxysilane and added to ethanolic solutions of magnesium nitrate. H-1-Si-29 CPMAS solid state NMR experiments revealed partial condensation of silane compounds, and FTIR analysis confirmed the presence of Si-O and Mg-O bonds, but further evidence is needed to prove the formation of the Si-O-Mg bond and the talc-like structure.
DALTON TRANSACTIONS
(2023)
Article
Polymer Science
Lucile Halbardier, Celine Croutxe-Barghorn, Emile Goldbach, Anne-Sophie Schuller, Xavier Allonas
Summary: This paper aims to fabricate reinforced polymeric objects using DLP 3D printing by combining photo sol-gel and radical photopolymerization processes. The diffusion of humidity was ensured by the choice of the acrylate polymer matrix and was highlighted by ATR-FTIR. Various analyses were conducted to compare the hybrid material to the organic matrix in terms of composition, viscoelasticity, and mechanical properties. A wet thermal treatment combined with a UV post-cure resulted in the highest condensation ratio of the inorganic network within the polymer matrix. The Young's modulus of the hybrid material doubled with only 2.4 wt% of the inorganic phase within the polymer matrix.
Article
Chemistry, Analytical
Hendryk Czech, Olga Popovicheva, Dmitriy G. Chernov, Alexander Kozlov, Eric Schneider, Vladimir P. Shmargunov, Maxime Sueur, Christopher P. Rueger, Carlos Afonso, Viktor Uzhegov, Valerii S. Kozlov, Mikhail V. Panchenko, Ralf Zimmermann
Summary: Plumes from wildfires can travel long distances and pose a threat to populated areas and sensitive ecosystems. The PHOTO-LAC, the largest aerosol chamber in the world, was established to study the chemistry of dense biomass burning plumes in the laboratory. The chamber allows for the investigation of the atmospheric processing of wildfire plumes and the formation of secondary organic aerosols and brown carbon.
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
(2023)
