Article
Chemistry, Analytical
Ying Zhang, Bei Gao, Luis Valdiviez, Chao Zhu, Tara Gallagher, Katrine Whiteson, Oliver Fiehn
Summary: Stable isotope tracers are commonly used with gas chromatography coupled to mass spectrometry for enzyme activity and metabolic pathway studies. In this research, three commercially available instruments were used to analyze samples from a stable isotope labeling study on Rothia mucilaginosa metabolism. The study found that all three GC-MS instruments can be used for stable isotope tracing studies, with high-resolution GC-QTOF MS offering additional capabilities in identifying the chemical structures of unknown compounds.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Chu -Fan Wang, Liang Li
Summary: Chemical isotope labeling (CIL) LC-MS is a powerful tool for metabolome analysis that offers improved coverage and accuracy. This study compares quadrupole time-of-flight (QTOF) and Orbitrap mass spectrometers for metabolite detection in CIL LC-MS. The results show that instrument type has a significant effect on metabolite detection, and combining data from different instruments can increase the number of detected peak pairs.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Analytical
Sonia Abreu, Sylvie Heron, Audrey Solgadi, Florent Joffre, Alain Tchapla, Pierre Chaminade
Summary: A new analytical approach for triacylglycerol fatty acyls distribution analysis using NPLC coupled with APPI(+)-HRMS was presented in this study. The method showed high efficiency in separating lipid classes and accurately determining fatty acyl composition in complex lipid extracts.
ANALYTICA CHIMICA ACTA
(2021)
Article
Agriculture, Multidisciplinary
Johannes Wellmann, Conny Traenkner, Nicolas Dostert, Esther-Corinna Schwarze, Silke Hillebrand, Jakob P. Ley, Peter Winterhalter
Summary: A workflow for comprehensive semi-polar metabolite profiling was developed and validated using liquid chromatography coupled with electrospray ionization ion mobility quadrupole time-of-flight mass spectrometry. This workflow has the capability to distinguish different cultivars of Hydrangea macrophylla ssp. serrata and obtain a list of metabolites responsible for the differentiation. Suspect screening of phenyldihydroisocoumarins provides valuable information for the biosynthesis of phyllodulcin.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Biochemical Research Methods
Jacob W. McCabe, Benjamin J. Jones, Thomas E. Walker, Robert L. Schrader, Adam P. Huntley, Jixing Lyu, Nathan M. Hoffman, Gordon A. Anderson, Peter T. A. Reilly, Arthur Laganowsky, Vicki H. Wysocki, David H. Russell
Summary: This study presents a digital-waveform dual-quadrupole mass spectrometer to improve the performance of a drift tube FT-IMS high-resolution Orbitrap mass spectrometer in studying large proteins and protein complexes. The dual-quadrupole analyzer allows for low-energy collisional activation of ions and precise mass selection using digital-waveform technology, enhancing the capabilities of the instrument at a lower cost compared to traditional RF drivers.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Prasad Phapale, Andrew Palmer, Rose Muthoni Gathungu, Dipali Kale, Britta Brugger, Theodore Alexandrov
Summary: EMBL-MCF is an open LC-MS/MS spectral library with over 1600 fragmentation spectra from 435 authentic standards of endogenous metabolites and lipids. It features chromatographic profiles acquired with different LC-MS methods and coverage of different adduct ions. The library contains many biologically important metabolites and unique metabolites and lipids compared to other public libraries.
JOURNAL OF PROTEOME RESEARCH
(2021)
Article
Chemistry, Applied
Suo Decheng, fan xia, Xiao Zhiming, Wei Shulin, Wang Shi, Wang Peilong
Summary: The method developed enables rapid screening and quantification of progesterone and progestins in milks using UHPLC QE HF HRMS. It meets the validation requirements for veterinary drug residue detection in the EU and China, and has been successfully applied to detect trace levels of progesterone and monitor residual progestins in real milk.
Article
Chemistry, Analytical
Estrella Sanz Rodriguez, Kyra Wood, Paul R. Haddad, Brett Paull
Summary: This study presents a simple, rapid, and reliable method for determining boron in aqueous solutions using suppressed ion chromatography coupled to electrospray ionisation-triple quadrupole mass spectrometry. The method achieved a low limit of detection and demonstrated excellent analytical performance.
Article
Chemistry, Analytical
Li-Hong Ye, Juan Yang, Fang-Ming Liu, Jun Cao
Summary: A method for identification and difference analysis of active compounds in different species of hawthorn using ultrahigh-performance liquid chromatography coupled with mass spectrometry was proposed. The study investigated and optimized various parameters for separation and response, and successfully distinguished different species of hawthorn using mass spectrometry data combined with multivariate analysis.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Analytical
Max L. Feuerstein, Ruwan T. Kurulugama, Stephan Hann, Tim Causon
Summary: This work focused on implementing ion mobility and a prototype quadrupole driver in data independent acquisition for non-targeted metabolomics to improve confidence in identity confirmation workflows. By combining hardware performance and software tools, 87 metabolites were identified using new acquisition and data processing approaches.
ANALYTICA CHIMICA ACTA
(2021)
Article
Biochemical Research Methods
Ying Shi, Huang-Fei Jin, Yan-Hua Jiao, Ting-Hong Fei, Fang-Ming Liu, Jun Cao
Summary: A unique and effective two-dimensional liquid chromatography system was established for the analysis of bioactive components in honeysuckle. The system utilized optimized conditions, columns, flow rates, and organic solvents to improve chromatographic resolution. 57 compounds were identified by mass spectrometry, and it was found that the composition of honeysuckle varied significantly among different regions. Additionally, most samples exhibited potent alpha-glucosidase inhibitory activity, which is beneficial for drug quality evaluation.
JOURNAL OF CHROMATOGRAPHY A
(2023)
Article
Chemistry, Analytical
Xiaowei Zhang, Xinpeng Diao, Luya Li, Yuqian Zhang, Man Liao, Guohua Zhang, Lantong Zhang
Summary: This study analyzed the metabolic profile of ginkgolide B using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry, and identified a total of 53 different metabolites. The biotransformation route of ginkgolide B was determined, providing useful information for further research on its pharmacology and mechanism.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Analytical
Carlo Kwiezinski, Christian Weller, Dominik van Pinxteren, Martin Brueggemann, Stephan Mertes, Frank Stratmann, Hartmut Herrmann
Summary: A method using ion chromatography coupled to high-resolution Orbitrap mass spectrometry was developed to quantify highly-polar organic compounds in aqueous filter extracts of atmospheric particles. The method offers advantages over existing ones and enables a detailed analysis of organic marker compounds in atmospheric aerosol particles. With its minimal sample preparation, beneficial figures of merit, and broad range of accessible compounds, including very polar ones, the new method shows promise for future research in this field.
JOURNAL OF SEPARATION SCIENCE
(2021)
Article
Chemistry, Analytical
Travis M. Falconer, Birgit Schneider, Carsten Baessmann, Karin Wendt, Artem Filipenko
Summary: The use of trapped ion mobility spectrometry (TIMS) in conjunction with liquid chromatography (LC) and electrospray ionization tandem mass spectrometry (MS/MS) was explored for the analysis of PDE-5 inhibitor analogs. Six out of eight compounds were resolved by LC and TIMS, while the remaining two isomers were distinguished by unique product ions in the MS/MS spectrum. The LC separation corresponded to differences in substitution on the piperazine moiety of the PDE-5 inhibitors, while the TIMS separation corresponded to the position of a nitrogen atom in the fused ring region of the molecules.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Analytical
Xiao-wei Zhang, Yu-ting Chen, Xue Feng, Lu-ya Li, Ke-wei Song, Yu-peng Sun, Guo-hua Zhang, Lan-tong Zhang
Summary: In this study, the metabolism of celastrol in vivo and in vitro was comprehensively characterized using ultra-high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry. A total of 43 metabolites were identified and characterized, and it was found that the biotransformation capacity of the intestinal tract exceeded that of the liver. These findings provide a basis for understanding the pharmacological mechanisms of celastrol and have potential implications for clinical applications.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Applied
Bernhard Thalhamer, Markus Himmelsbach, Wolfgang Buchberger
FLAVOUR AND FRAGRANCE JOURNAL
(2017)
Article
Biochemical Research Methods
Lisa Emhofer, Markus Himmelsbach, Wolfgang Buchberger, Christian W. Klampfl
JOURNAL OF CHROMATOGRAPHY A
(2017)
Article
Chemistry, Multidisciplinary
Felix Faschinger, Martin Ertl, Mirjam Zimmermann, Andreas Horner, Markus Himmelsbach, Wolfgang Schoefberger, Guenther Knoer, Hermann J. Gruber
Article
Biology
Florian Hischen, Vladislav Reiswich, Desiree Kupsch, Ninon De Mecquenem, Michael Riedel, Markus Himmelsbach, Agnes Weth, Ernst Heiss, Oskar Armbruster, Johannes Heitz, Werner Baumgartner
Article
Biochemical Research Methods
Bernd Reichl, Markus Himmelsbach, Lisa Emhofer, Christian W. Klampfl, Wolfgang Buchberger
Article
Biochemical Research Methods
Lisa Emhofer, Markus Himmelsbach, Wolfgang Buchberger, Christian W. Klampfl
Article
Food Science & Technology
Ulrike Mueller, Flora Stuebl, Bettina Schwarzinger, Georg Sandner, Marcus Iken, Markus Himmelsbach, Clemens Schwarzinger, Nicole Ollinger, Verena Stadlbauer, Otmar Hoeglinger, Tobias Kuehne, Peter Lanzerstorfer, Julian Weghuber
MOLECULAR NUTRITION & FOOD RESEARCH
(2018)
Article
Biochemical Research Methods
Lisa Emhofer, Markus Himmelsbach, Wolfgang Buchberger, Christian W. Klampfl
JOURNAL OF CHROMATOGRAPHY A
(2019)
Article
Biochemical Research Methods
Boris Sarvin, Markus Himmelsbach, Timur Baygildiev, Oleg Shpigun, Igor Rodin, Andrey Stavrianidi, Wolfgang Buchberger
JOURNAL OF CHROMATOGRAPHY A
(2019)
Article
Biochemical Research Methods
Alexandra Seyer, Franz Mlynek, Markus Himmelsbach, Wolfgang Buchberger, Christian W. Klampfl
JOURNAL OF CHROMATOGRAPHY A
(2020)
Article
Biochemical Research Methods
Pavol Durc, Vera Dosedelova, Frantisek Foret, Jiri Dolina, Stefan Konecny, Markus Himmelsbach, Wolfgang Buchberger, Petr Kuban
JOURNAL OF CHROMATOGRAPHY A
(2020)
Article
Polymer Science
Stephan Schaumueller, Doris Cristurean, Stephan Haudum, George S. Pappas, Markus Himmelsbach, Matthias Bechmann, Oliver Brueggemann, Ian Teasdale
Summary: A facile post-polymerization modification route to functionalized aromatic polyimides was reported via Diels-Alder cycloaddition, resulting in high-performance polymers with value-added functionality such as increased surface area. Exploiting the orthogonality of the reaction, functional groups were inserted along the polymer backbone, showcasing considerable potential in a wide range of advanced materials.
JOURNAL OF POLYMER SCIENCE
(2021)
Article
Polymer Science
Doris Cristurean, Stephan Schaumueller, Paul Strasser, Stephan Haudum, Markus Himmelsbach, Matthias Bechmann, Oliver Brueggemann, Ian Teasdale
Summary: The study presents a solution for preparing novel polyimides using a Diels-Alder reaction, by utilizing alkynes on oligomers containing pre-formed ring-closed imides, extending to insoluble oligoimides and expanding the scope for potential applications.
Article
Chemistry, Organic
Michael Winter, Kirill Faust, Markus Himmelsbach, Mario Waser
ORGANIC & BIOMOLECULAR CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Nicole Meisinger, Lukas Roiser, Uwe Monkowius, Markus Himmelsbach, Raphael Robiette, Mario Waser
CHEMISTRY-A EUROPEAN JOURNAL
(2017)