Article
Chemistry, Analytical
Rui Guo, Qisheng Zhong, Jiaqi Liu, Peiming Bai, Zongpeng Wang, Jieling Kou, Peijie Chen, Jie Zhang, Bo Zhang
Summary: In this study, a method called 2D-LC/TQMS was developed for simultaneous analysis of hydrophilic and hydrophobic metabolites using the combination of HILIC and RPLC. The method can detect 417 metabolites involved in various metabolic pathways with good reproducibility, linearity, and wide linear range. It was tested using different biological samples and applied to a bladder cancer case/control study, identifying 30 differential metabolites related to carbohydrate and amino acid metabolism.
ANALYTICA CHIMICA ACTA
(2023)
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
Chemistry, Analytical
G. A. Nagana Gowda, Vadim Pascua, Camerin E. Killion, Rajan K. Paranji, Daniel Raftery
Summary: Phosphorus metabolites play a critical role in cellular function, but their detection and quantification pose challenges. This study presents a method using simple 1D P-31 NMR spectrum to analyze multiple phosphorus metabolites in blood and establish the identification of unknown metabolites. The method provides visualization and quantification of intermediates and products of various metabolic pathways.
ANALYTICAL CHEMISTRY
(2023)
Article
Agriculture, Multidisciplinary
Mengliang Zhang, Yifei Wang, Roderick Moore, Roy Upton, Peter de B. Harrington, Pei Chen
Summary: A metabolomic ratio rule-based classification method was developed for automated differentiation of cinnamon species. The method achieved high accuracy in classifying cinnamon species and offered great value for the authentication and evaluation of cinnamon samples.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Food Science & Technology
Chuanqin Hu, Xinyu Song, Zhenzhen Shao, Yingli Liu, Jing Wang, Baoguo Sun
Summary: Untargeted metabolomics was used in this study to investigate the effects of Mep on the metabolic profile of adipose tissue in Sprague-Dawley rats. Twenty-six differential metabolites and eight major perturbed metabolic pathways were identified, including linoleic acid metabolism, Phenylalanine, tyrosine, and tryptophan biosynthesis, phenylalanine metabolism, arachidonic acid metabolism, Glycine, serine, and threonine metabolism, glycerolipid metabolism, Alanine, aspartate, and glutamate metabolism, and glyoxylate and dicarboxylic acid metabolism. This study provides a solid foundation for understanding the toxic mechanism of Mep.
Article
Biochemistry & Molecular Biology
Chitra Thakur, Nicholas J. Carruthers, Qian Zhang, Liping Xu, Yao Fu, Zhuoyue Bi, Yiran Qiu, Wenxuan Zhang, Priya Wadgaonkar, Bandar Almutairy, Chunna Guo, Paul M. Stemmer, Fei Chen
Summary: This study comprehensively analyzed the role of mdig in triple-negative breast cancer through proteomic analysis. The results revealed that mdig knockout significantly altered the expression of proteins and pathways associated with breast cancer, highlighting its importance in tumorigenicity and invasiveness.
Article
Chemistry, Analytical
Alaa Riezk, Vasin Vasikasin, Richard C. C. Wilson, Timothy M. M. Rawson, James G. G. McLeod, Rishi Dhillon, Jamie Duckers, Anthony E. G. Cass, Alison H. H. Holmes
Summary: This study aimed to establish and validate a rapid and reliable liquid chromatography-tandem mass spectrometry (LC/MS) method for the simultaneous quantification of cefiderocol and meropenem in human plasma of critically ill patients. The method involved protein precipitation using acetonitrile for sample clean-up, followed by reverse phase chromatography using triple quadrupole LC/MS. The developed method showed good linearity, accuracy, and sensitivity for both cefiderocol and meropenem, with stability at different temperatures and protein binding assessed in human plasma.
ANALYTICAL METHODS
(2023)
Article
Pharmacology & Pharmacy
Lihua Zuo, Liwei Liu, Yantao Yang, Jie Yang, Min Chen, Huafeng Zhang, Jian Kang, Xiaojian Zhang, Jiabo Wang, Zhi Sun
Summary: An efficient strategy was proposed for comprehensive metabolite profiling of prucalopride after oral administration in rat plasma, urine, and feces samples. A total of 47 metabolites were tentatively characterized, providing a valuable reference for systematic metabolite profile of drug in vivo. The strategy significantly improved the targeted detection and identification for metabolites in vivo, offering multiple possibilities and preventing blind conjecture of potential metabolites.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Chemistry, Analytical
Patric Lindahl, Grzegorz Olszewski, Mats Eriksson
Summary: The study evaluated and optimized the stability of uranium isotopic ratios measurements using the Agilent 8900 triple quadrupole inductively coupled plasma mass spectrometry (ICP-MS/MS) system. By adjusting the mass filter resolution settings, considerable improvement in precision and accuracy was achieved, with precision of 0.07% for long-term measurement of U-233/U-235 ratios.
JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
(2021)
Article
Environmental Sciences
Yaotian Wang, Haiyan Zhang, Xingwang Hou, Qing Zhang, Weifang Chen, Jianbo Shi, Guibin Jiang
Summary: A sensitive method for simultaneous determination of nine polyCBD congeners in shellfish was developed and applied to samples from markets in eight coastal cities in China. The results showed low contamination of HCBD in the marketed shellfish and fish, laying the groundwork for future research on the environmental behavior and exposure risks of polyCBDs in aquatic biotas.
ENVIRONMENTAL POLLUTION
(2021)
Article
Chemistry, Analytical
Zheng Lv, Boyang Wang, Bianli Wang, Huimin Zhang
Summary: Chicory contains two vital coumarins that have benefits in reducing uric acid. This study investigated the metabolic pathways of these compounds under standard and hyperuricemia conditions, revealing variations in metabolites and suggesting a potential impact of uric acid levels on enzyme activity.
JOURNAL OF SEPARATION SCIENCE
(2023)
Article
Chemistry, Analytical
Wenting Bu, Liang Yang, Lei Tang, Ke Xiong, Youyi Ni, Chuting Yang, Sheng Hu
Summary: Monitoring ultra-trace levels of Tc-99 in environmental samples is crucial for assessing radioactivity and tracing oceanographic processes. We introduced a new method for measuring Tc isotopes using triple quadrupole ICP-MS/MS. By introducing O-2 gas, we were able to eliminate isobaric interference from Mo-97 and achieve high separation between Mo and Tc.
JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
(2022)
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
Nathaniel D. Fletcher, Benjamin T. Manard, Debra A. Bostick, William D. Bostick, Shalina C. Metzger, Brian W. Ticknor, Kayron T. Rogers, Cole R. Hexel
Summary: The analysis of impurities in a uranium ore concentrate (UOC) provides valuable information on the source, production history, and potential intended use. Concentrations of phosphorus and sulfur were determined by mass spectrometry and compared to results from a pyrohydrolysis method. The method allows for the removal of interferences in the analysis of species in UOC materials.
Article
Biochemical Research Methods
Antonio Ferracane, Mariosimone Zoccali, Francesco Cacciola, Tania Maria Grazia Salerno, Peter Q. Tranchida, Luigi Mondello
Summary: The aim of this study was to develop an analytical method for determining multi-pesticide residues in vegetable products using a reduced-scale extraction method and flow-modulated comprehensive two-dimensional gas chromatography-triple quadrupole mass spectrometry. The method showed high recoveries and low limits of detection, making it suitable for trace analyte determination.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Chemistry, Analytical
Xavier Domingo-Almenara, J. Rafael Montenegro-Burke, Carlos Guijas, Erica L. -W. Majumder, H. Paul Benton, Gary Siuzdak
ANALYTICAL CHEMISTRY
(2019)
Article
Chemistry, Analytical
Jingchuan Xue, Xavier Domingo-Almenara, Carlos Guijas, Amelia Palermo, Markus M. Rinschen, John Isbell, H. Paul Benton, Gary Siuzdak
ANALYTICAL CHEMISTRY
(2020)
Letter
Biochemical Research Methods
Jingchuan Xue, Carlos Guijas, H. Paul Benton, Benedikt Warth, Gary Siuzdak
Article
Chemistry, Analytical
Jingchuan Xue, Rico J. E. Derks, Bill Webb, Elizabeth M. Billings, Aries Aisporna, Martin Giera, Gary Siuzdak
Summary: Single quadrupole mass spectrometry with enhanced in-source multiple fragment ion monitoring allows for high sensitivity quantitative mass analyses. The combination of enhanced in-source fragmentation data with established criteria enables accurate quantitative analyses on complex samples, showing similar matrix effects across platforms. A newly developed correlated ion monitoring algorithm enhances specificity and enables detection of coeluting species based on precursor and fragment ion ratios, facilitating high sensitivity analysis on existing single quadrupole instrumentation.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Jingchuan Xue, Rico J. E. Derks, Linh Hoang, Martin Giera, Gary Siuzdak
Summary: Enhanced in-source fragmentation/annotation (EISA) technology has been proven to generate fragment ions matching tandem mass spectrometry data, playing a crucial role in peptide-based proteomic analysis and post-translational modification. The experimental results show that EISA excels in producing accurate fragmentation patterns and has broad application prospects in proteomic data analysis.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Aries Aisporna, H. Paul Benton, Andy Chen, Rico J. E. Derks, Jean Marie Galano, Martin Giera, Gary Siuzdak
Summary: Neutral loss (NL) spectral data is a valuable resource for molecular discovery and similarity analysis. Researchers have created a MS2 to NL converter and developed the METLIN-NL database to enhance unknown identification and complement existing fragment ion databases.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemistry & Molecular Biology
J. Rafael Montenegro-Burke, Bernard P. Kok, Carlos Guijas, Xavier Domingo-Almenara, Clara Moon, Andrea Galmozzi, Seiya Kitamura, Lars Eckmann, Enrique Saez, Gary E. Siuzdak, Dennis W. Wolan
Summary: Untargeted metabolomics of disease-associated intestinal microbiota can detect quantitative changes in metabolite profiles and complement other methodologies to identify altered small-molecule metabolites in inflammation. Several previously uncharacterized anti-inflammatory and inflammation-augmenting metabolites were identified, with phytosphingosine showing the most effective anti-inflammatory activity in vitro. Oral administration of phytosphingosine decreased inflammation in a mouse model of colitis, indicating its potential therapeutic value in inflammatory bowel disease research.
Article
Biochemistry & Molecular Biology
Carlos Guijas, Lucy E. Horton, Linh Hoang, Xavier Domingo-Almenara, Elizabeth M. Billings, Brian C. Ware, Brian Sullivan, Gary Siuzdak
Summary: The microbial-derived metabolite 3-indolepropionic acid (3-IPA) plays an important role in T-cell exhaustion and immunosuppression. Metabolomic analysis reveals that 3-IPA can improve survival rates in mouse models infected with lymphocytic choriomeningitis virus (LCMV) Clone 13 (Cl13). This finding has significant implications for the treatment of autoimmune diseases, type I diabetes, and COVID-19.
Article
Biochemistry & Molecular Biology
Carlos Guijas, Andrew To, J. Rafael Montenegro-Burke, Xavier Domingo-Almenara, Zaida Alipio-Gloria, Bernard P. Kok, Enrique Saez, Nicole H. Alvarez, Kristen A. Johnson, Gary Siuzdak
Summary: Obesity rates have doubled since the 1980s and are closely associated with metabolic diseases. Balancing energy homeostasis by increasing brown-like adipocytes in white adipose tissue (WAT) is a potential therapeutic approach. Zafirlukast, a drug used to treat asthma, has been found to induce the differentiation of white adipocytes into functional brown adipocytes. However, it is toxic to human cells at high dosages. The endogenous metabolite myristoylglycine has been discovered as a potential alternative to zafirlukast in inducing brown adipocyte differentiation.
Article
Ecology
Jennifer L. Goff, Yan Chen, Michael P. Thorgersen, Linh T. Hoang, Farris L. Poole II, Elizabeth G. Szink, Gary Siuzdak, Christopher J. Petzold, Michael W. W. Adams
Summary: Multiple heavy metal contamination is a common global problem that can disrupt microbial biogeochemical cycling. However, there is a lack of studies on the effects of combinations of heavy metals on bacteria. In this study, we assessed the impact of eight metal contaminants on cell processes using a multiomics approach. The combination of metals had unexpected effects on cell physiology, including a disruption of iron homeostasis and decreased activity of important enzymes. This research highlights the need for multi-metal studies to understand the impacts of complex contaminants on microbial systems.
Article
Biochemistry & Molecular Biology
Naseer A. Kutchy, Amelia Palermo, Rong Ma, Zhong Li, Alexandria Ulanov, Shannon Callen, Gary Siuzdak, Sabita Roy, Shilpa Buch, Guoku Hu
Summary: Morphine administration causes distinct metabolic changes, with acute and chronic use leading to different plasma metabolite concentrations. The alterations in metabolites are linked to the development of tolerance to morphine's analgesic effects. The study also identified metabolites that were differentially affected by acute versus chronic morphine use, suggesting that metabolic changes may be mitigated by prolonged exposure to the drug.
Letter
Biochemical Research Methods
Erin S. Baker, Corey Hoang, Winnie Uritboonthai, Heino M. Heyman, Brian Pratt, Michael MacCoss, Brendan MacLean, Robert Plumb, Aries Aisporna, Gary Siuzdak
Editorial Material
Endocrinology & Metabolism
Gary Siuzdak
Summary: Recent advances in mass spectrometry imaging, specifically the development of nano secondary ion mass spectrometry, have made subcellular quantitative analysis a reality, allowing for absolute quantification at the organelle level.
Article
Astronomy & Astrophysics
Cheng Zhu, Andrew M. Turner, Matthew J. Abplanalp, Ralf I. Kaiser, Bill Webb, Gary Siuzdak, Ryan C. Fortenberry
ASTROPHYSICAL JOURNAL LETTERS
(2020)
Article
Biochemistry & Molecular Biology
Benedikt Warth, Amelia Palermo, Nicholas J. W. Rattray, Nathan Lee, Zhou Zhu, Linh T. Hoang, Yuping Cai, Anthony Mazurek, Stephen Dann, Todd VanArsdale, Valeria R. Fantin, David Shields, Gary Siuzdak, Caroline H. Johnson