Article
Chemistry, Analytical
Lauren M. Bishop, Tong Shen, Oliver Fiehn
Summary: Accurate and reproducible quantification of endogenous lipids is crucial for large-scale lipidomic analyses. Many lipids in liquid chromatography-electrospray ionization-mass spectrometry form various adducts with buffer components, and the mechanisms and conditions affecting adduct formation are poorly understood. Variations in adduct ratios can lead to significant inaccuracies during quantification, and the use of multiple adduct ions improves accuracy compared to using a single adduct ion.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Shai Dagan, Dana Marder, Nitzan Tzanani, Eyal Drug, Hagit Prihed, Lilach Yishai-Aviram
Summary: This study investigated the impact of matrix complexity on nontargeted detection by LC-MS/MS (Orbitrap) analysis. The results showed that detection limits for nontargets were higher in complex matrices and required higher concentrations. A quantitative method was used to assess and compare the complexity of matrices and predict the typical detection limits of unknowns.
ANALYTICAL CHEMISTRY
(2023)
Article
Environmental Sciences
Christina Christia, Giulia Poma, Noelia Caballero-Casero, Adrian Covaci
Summary: In this study, a modified and validated method was used to quantify six newly identified compounds in residential dust in the Flemish region of Belgium. It was found that DiPGDB was the dominant compound, with toddlers being more exposed than adults. No risk for adverse human health effects was observed from the comparison with DNELs.
ENVIRONMENTAL RESEARCH
(2021)
Article
Chemistry, Applied
Wenliang Wu, Meiling Lu, Jiakun Peng, Haipeng Lv, Jiang Shi, Shuguang Zhang, Zhen Liu, Jihua Duan, Dan Chen, Weidong Dai, Zhi Lin
Summary: This study investigated the chemical characteristics of Jianghua Kucha (JHKC), a special tea germplasm in China, and found that it mainly contains high levels of purine alkaloids and methylated flavanols, as well as low levels of flavonol glycosides. Caffeine metabolism, flavonoid biosynthesis, and flavonol and flavone biosynthesis were identified as the most differential metabolic pathways. JHKC can be a valuable resource for breeding tea cultivars with high contents of theacrine, non-epi-form flavanols, and methylated flavanols.
Article
Nutrition & Dietetics
Stefania Noerman, Jyrki K. Virtanen, Marko Lehtonen, Carl Brunius, Kati Hanhineva
Summary: The study aimed to identify fasting serum metabolites associated with whole grain intake in a free-living population. The findings suggested strong associations between whole grain intake and several metabolites, which remained significant even after adjusting for potential confounders. These metabolites have the potential to serve as robust biomarkers for whole grain consumption.
EUROPEAN JOURNAL OF NUTRITION
(2023)
Article
Biochemical Research Methods
Josefine Carlsson, Francesco Iadaresta, Jonas Eklund, Rozanna Avagyan, Conny Ostman, Ulrika Nilsson
Summary: The study investigated the content of organic compounds in twenty-four imported garments on the Swedish market, revealing the presence of potentially hazardous compounds such as benzothiazole and quinoline, with some compounds exceeding regulatory limits. The results indicate insufficient control and prevention of chemicals in imported garments on the Swedish market.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Suping Wang, Xiaojuan Jiang, Rong Ding, Binbin Chen, Haiyan Lyu, Junyang Liu, Chunyan Zhu, Rong Shen, Jiayun Chen, Yun Hong, Yunlong Wu, Jiyang Dong, Caisheng Wu
Summary: Chemical isotope labeling liquid chromatography mass spectrometry (LC-MS) is a new metabolomic strategy for quantifying and characterizing small molecular compounds in biological samples. However, data analysis is challenging due to the large amount of data and interference from biological matrices. To improve efficiency, a new software tool called MS-IDF was developed based on a narrow mass defect filter.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Zhenhua Tian, Luping Sun, Bingqing Chi, Zhen Du, Xiumei Zhang, Yuecheng Liu, Honglei Zhou
Summary: This study investigated the chemical components of Angelica pubescens using ultra high performance liquid chromatography and high-resolution Orbitrap mass spectrometry. Neuraminidase inhibitors were screened by incubating neuraminidase with the extract of Angelica pubescens using affinity ultrafiltration methods. Thirteen small molecules were discovered to interact with neuraminidase for the first time. In vitro testing confirmed the neuraminidase inhibitory activity of certain compounds and the extract. Molecular docking analysis was conducted to predict potential docking positions. This study provides a reference for the medical substance basis in Angelica and the clinical usage of this drug.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(2022)
Article
Nutrition & Dietetics
Youngmin Han, Kyunghye Jang, Unchong Kim, Ximei Huang, Minjoo Kim
Summary: This study aims to determine the nutritional traits of dyslipidemia patients based on metabolite patterns. The findings suggest that consuming sufficient dietary fiber may help dyslipidemia patients maintain metabolic patterns similar to healthy individuals. These findings are important for developing dietary guidelines for dyslipidemia patients.
JOURNAL OF NUTRITION
(2023)
Article
Veterinary Sciences
Jie Wu, Yong Ye, Jianping Quan, Rongrong Ding, Xingwang Wang, Zhanwei Zhuang, Shenping Zhou, Qian Geng, Cineng Xu, Linjun Hong, Zheng Xu, Enqin Zheng, Gengyuan Cai, Zhenfang Wu, Jie Yang
Summary: This study explored the relationship between pig feed efficiency and fecal metabolites, identifying nine metabolites related to residual feed intake (RFI). These metabolites are involved in multiple metabolic pathways, including lipid metabolism, vitamin D, and glucose metabolism, providing new insights for evaluating commercial pig feed efficiency and developing new feed additives.
PORCINE HEALTH MANAGEMENT
(2021)
Article
Biochemistry & Molecular Biology
Jesus Alfredo Araujo-Leon, Rolffy Ortiz-Andrade, Efren Hernandez-Baltazar, Emanuel Hernandez-Nunez, Julio Cesar Rivera-Leyva, Victor Yanez-Perez, Priscila Vazquez-Garcia, Carla Georgina Cicero-Sarmiento, Juan Carlos Sanchez-Salgado, Maira Rubi Segura-Campos
Summary: This study evaluated and compared the pharmacokinetic parameters of two dosage forms of hesperidin and naringenin: mixture and tablet. The results showed that tablet form did not significantly alter the pharmacokinetic parameters and could be a suitable candidate for drug product development.
Article
Engineering, Environmental
David Spurgeon, Helen Wilkinson, Wayne Civil, Lorraine Hutt, Elena Armenise, Natalie Kieboom, Kerry Sims, Tim Besien
Summary: Semi-quantitative GC-MS and LC-MS measurements were used to assess the overall magnitude and contribution of organic chemicals to mixture hazard in groundwater and surface waters. The analysis showed that the hazard from a mixture of substances was higher than that from any single chemical, but the contribution of the most important chemical to the overall mixture effect was not large.
Article
Environmental Sciences
Christina Christia, Giulia Poma, Noelia Caballero-Casero, Adrian Covaci
Summary: This study collected dust samples from 25 homes during different seasons and identified new chemicals that may have been applied to indoor goods, released into the indoor environment, and accumulated in dust. The study found that higher temperatures in summer may facilitate the release of certain chemicals into the indoor environment.
Article
Chemistry, Analytical
Elif Yazici, Suleyman Bodur, Sezin Erarpat, Ulas Emre Arslan, Sezgin Bakirdere
Summary: Acrylamide, a potentially neurotoxic and carcinogenic compound, is commonly found in environmental bodies due to industrial usage. This study compared different calibration strategies and proposed a highly accurate and precise method, LC-ID4-MS/MS, to quantify acrylamide in wastewater samples. The ID4 strategy showed superior accuracy and precision compared to EC and ISC methods.
MICROCHEMICAL JOURNAL
(2023)
Article
Engineering, Environmental
Isabelle Neuwald, Matthias Muschket, Daniel Zahn, Urs Berger, Bettina Seiwert, Till Meier, Jochen Kuckelkorn, Claudia Strobel, Thomas P. Knepper, Thorsten Reemtsma
Summary: HILIC and SFC coupled to HRMS were used to search for PM chemicals in surface waters, identifying 64 compounds with high polarity and low molecular weight. The discovery of novel water contaminants suggests that the universe of PM chemicals in the environment has been scarcely explored.
Article
Biochemical Research Methods
Ann M. Knolhoff, Jie Zheng, Melinda A. McFarland, Yan Luo, John H. Callahan, Eric W. Brown, Timothy R. Croley
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2015)
Article
Public, Environmental & Occupational Health
Ali K. Hamade, Sandrine E. Deglin, Joe B. McLaughlin, Jonathan R. Deeds, Sara M. Handy, Ann M. Knolhoff
MMWR-MORBIDITY AND MORTALITY WEEKLY REPORT
(2015)
Article
Chemistry, Analytical
Ann M. Knolhoff, Jerry A. Zweigenbaum, Timothy R. Croley
ANALYTICAL CHEMISTRY
(2016)
Review
Biochemical Research Methods
Ann M. Knolhoff, Timothy R. Croley
JOURNAL OF CHROMATOGRAPHY A
(2016)
Article
Biotechnology & Applied Microbiology
Sandra M. Tallent, Jennifer M. Hait, Ann M. Knolhoff, Reginald W. Bennett, Thomas S. Hammack, Timothy R. Croley
JOURNAL OF FOOD SAFETY
(2017)
Article
Chemistry, Multidisciplinary
Gao-Juan Cao, Christine M. Fisher, Xiumei Jiang, Yu Chong, Hui Zhang, Hongyu Guo, Qian Zhang, Jiwen Zheng, Ann M. Knolhoff, Timothy R. Croley, Jun-Jie Yin
Article
Neurosciences
Magalie Martineau, Ting Shi, Julien Puyal, Ann M. Knolhoff, Jerome Dulong, Bruno Gasnier, Juergen Klingauf, Jonathan V. Sweedler, Reinhard Jahn, Jean-Pierre Mothet
JOURNAL OF NEUROSCIENCE
(2013)
Article
Biochemical Research Methods
Ann M. Knolhoff, John H. Callahan, Timothy R. Croley
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2014)
Article
Chemistry, Analytical
Ann M. Knolhoff, Caitlin N. Kneapler, Timothy R. Croley
ANALYTICA CHIMICA ACTA
(2019)
Article
Chemistry, Applied
Ann M. Knolhoff, Christine M. Fisher
Summary: The study found that non-targeted analyses using LC/HR-MS can generate information-rich data sets, but data mining can be labor intensive. Different approaches were examined to reduce the number of compounds needing further investigation, with the use of inherent sample variability to build in-house databases for data reduction. Differential analysis was effective for single ingredient foods, while a combination of approaches was necessary for greater sample complexity.
Article
Chemistry, Analytical
Katherine T. Peter, Allison L. Phillips, Ann M. Knolhoff, Piero R. Gardinali, Carlos A. Manzano, Kelsey E. Miller, Manuel Pristner, Lyne Sabourin, Mark W. Sumarah, Benedikt Warth, Jon R. Sobus
Summary: Non-targeted analysis (NTA) workflows using mass spectrometry are becoming increasingly popular in various disciplines, but there is still a lack of universally accepted reporting standards. To address this issue, researchers have developed the NTA Study Reporting Tool (SRT), which has been shown to be effective in guiding study design, manuscript writing, and evaluating NTA reporting quality through analysis of published articles.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Benjamin J. Place, Elin M. Ulrich, Jonathan K. Challis, Alex Chao, Bowen Du, Kristin Favela, Yong-Lai Feng, Christine M. Fisher, Piero Gardinali, Alan Hood, Ann M. Knolhoff, Andrew D. McEachran, Sara L. Nason, Seth R. Newton, Brian Ng, Jamie Nunez, Katherine T. Peter, Allison L. Phillips, Natalia Quinete, Ryan Renslow, Jon R. Sobus, Eric M. Sussman, Benedikt Warth, Samanthi Wickramasekara, Antony J. Williams
Summary: Non-targeted analysis (NTA) is a rapidly evolving set of mass spectrometry techniques aimed at characterizing complex samples' chemical composition, identifying unknown compounds, and classifying samples. Recent advances are due to improved instrumentation and accessible data analysis tools, with a growing need for community-wide method reporting guidelines. This has led to the formation of the Benchmarking and Publications for Non-Targeted Analysis Working Group (BP4NTA) to address challenges and establish consensus in NTA-related terms and reporting practices.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Gabrielle Black, Charles Lowe, Tarun Anumol, Jessica Bade, Kristin Favela, Yong-Lai Feng, Ann Knolhoff, Andrew Mceachran, Jamie Nunez, Christine Fisher, Kathy Peter, Natalia Soares Quinete, Jon Sobus, Eric Sussman, William Watson, Samanthi Wickramasekara, Antony Williams, Tom Young
Summary: Non-targeted analysis (NTA) using high-resolution mass spectrometry enables the detection and identification of compounds in diverse matrices without prior chemical knowledge. However, there is a need for accessible approaches to map the chemical space in NTA studies. The proposed ChemSpaceTool can help improve method transparency and communication in NTA workflows.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Editorial Material
Chemistry, Analytical
Lewis Botcherby, Ann M. Knolhoff