Review
Food Science & Technology
Sarah F. Al-Subaie, Abdullah M. Alowaifeer, Maged E. Mohamed
Summary: Pyrrolizidine alkaloids are natural secondary metabolites found in many plants, which can be toxic to humans and mammals. Detecting these alkaloids in food is crucial for food security. This review summarizes the latest advances in extraction and analysis methods, with a focus on chromatographic-based analysis and determinations in food.
Article
Plant Sciences
Mi Zhang, Kouharu Otsuki, Reo Takahashi, Takashi Kikuchi, Di Zhou, Ning Li, Wei Li
Summary: Liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) is a powerful tool for the rapid identification of compounds within natural resources. This study used LC-MS/MS analysis to investigate the presence of structurally diverse daphnane diterpenoids in Wikstroemia indica, significantly contributing to our understanding of bioactive diterpenoids in plants within the Thymelaeaceae family.
Article
Biochemistry & Molecular Biology
Dmitrii Smirnov, Pavel Mazin, Maria Osetrova, Elena Stekolshchikova, Ekaterina Khrameeva
Summary: Lipidomics is a rapidly growing discipline that involves the identification and quantification of thousands of lipids. This paper provides guidelines for analyzing lipidome data obtained using untargeted LC-MS methods, focusing on practical approaches for data analysis. The paper also outlines potential applications of untargeted lipidomics for biological studies and includes a detailed R notebook for data analysis based on xcms software.
Article
Chemistry, Analytical
Jun Sang Yu, Louis-Felix Nothias, Mingxun Wang, Dong Hyun Kim, Pieter C. Dorrestein, Kyo Bin Kang, Hye Hyun Yoo
Summary: This study compared the performance of molecular networking with existing strategies for drug metabolite identification. The results showed that molecular networking exhibited comparable or superior performance in terms of the number of detected metabolites, false positives ratio, and the amount of time and effort required for human labor-based postprocessing.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Yuhui Hong, Sujun Li, Christopher J. Welch, Shane Tichy, Yuzhen Ye, Haixu Tang
Summary: 3DMolMS is a deep neural network model that predicts mass spectra from the 3D conformations of compounds. It achieved an average cosine similarity of 0.691 and 0.478 with experimental MS/MS spectra in positive and negative ion modes, respectively. The model can be fine-tuned to predict spectra acquired by different labs and instruments. Additionally, the molecular representation learned by 3DMolMS can enhance the prediction of chemical properties such as elution time and collisional cross section.
Article
Biochemical Research Methods
Soroosh Gholamizoj, Bin Ma
Summary: SPEQ is a spectrum quality assessment tool that classifies spectra into high-quality and low-quality using a deep neural network, which has demonstrated improved prediction accuracy compared to other models.
Article
Biochemical Research Methods
Long-Hui Liang, Xi Cheng, Hui-Lan Yu, Yang Yang, Xi-Hui Mu, Bo Chen, Xiao-Sen Li, Ji-Na Wu, Long Yan, Chang-Cai Liu, Shi-Lei Liu
Summary: This study introduces a novel method for the quantitative detection of ricin in beverages using isotope-labeled internal standard mass spectrometry. The method allows for rapid and accurate detection of ricin in beverages, while also providing a new strategy for investigating the illegal use of ricin in chemical weapons.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Xintong Sui, Qiong Wu, Xiaozhen Cui, Xi Wang, Luobin Zhang, Nan Deng, Yangyang Bian, Ruilian Xu, Ruijun Tian
Summary: Capillary- and micro-flow liquid chromatography-tandem mass spectrometry (capLC-MS/MS and mu LC-MS/MS) offer an alternative to nano-flow LC-MS/MS with high robustness and throughput. In this study, the capLC-MS/MS and mu LC-MS/MS systems were compared in terms of sensitivity, analysis throughput, separation efficiency, and robustness. The results showed that capLC-MS/MS was more sensitive, while mu LC-MS/MS had higher analysis throughput and separation efficiency. Both systems demonstrated good reproducibility in long-term performance testing.
JOURNAL OF PROTEOME RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Adeeba Khadim, Bibi Zareena, Saddam Hussain, Syed Usama Yaseen Jeelani, Arslan Ali, Syed Ghulam Musharraf
Summary: The present study utilizes an efficient pooling strategy to prepare a high-resolution tandem mass spectrometry library of drugs with different therapeutic properties. The library is validated by analyzing spiked serum samples, and it successfully identifies all compounds based on exact masses, MS/MS data, and retention time.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Biochemical Research Methods
Dianqin Xu, Xiaoyu Zhu, Ji Ren, Shan Huang, Ziwen Xiao, Hongmei Jiang, Yujie Tan
Summary: In this study, tandem mass tags-labeled quantitative proteomic technology and bioinformatics tools were used to analyze exfoliated cervical cells from normal and cervical cancer groups. A cancer-specific protein profile was established, leading to the identification of key proteins related to cervical cancer development. These differentially expressed proteins were found to be involved in various cellular processes and signaling pathways, laying the foundation for understanding the molecular mechanisms of cervical cancer.
JOURNAL OF PROTEOMICS
(2022)
Article
Agriculture, Multidisciplinary
Silvio Uhlig, Oscar Daniel Rangel-Huerta, Hege H. Divon, Elin Rolen, Kari Pauchon, Mark W. Sumarah, Trude Vralstad, Justin B. Renaud
Summary: This study aimed to detect as many peptide ergot alkaloids and indole diterpenoids in ergot sclerotia by using LC-HRMS/MS approach. Specific product ions in MS/MS data sets were used for data extraction, revealing different alkaloids specific for certain species within the Claviceps purpurea complex.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Chemistry, Analytical
Ivan Petr, Ales Pencik, Jakub Styskala, Lenka Tranova, Petra Amakorova, Miroslav Strnad, Ondrej Novak
Summary: The study introduces a novel approach using ultra-high performance supercritical fluid chromatography coupled with tandem mass spectrometry (UHPSFC-MS/MS) for the quantification of plant hormones. Compared to traditional UHPLC-MS/MS methods, this new approach offers a shorter total run time and lower matrix effect.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Hao Zhang, Zongli Huo, Hualiang Liu, Wenliang Ji, Yonglin Zhou
Summary: A sensitive and rapid method was developed for measuring chlorate and perchlorate in freshly brewed coffee using ion chromatography tandem mass spectrometry. The method demonstrated good linearity, recovery rates, and quantification limits for chlorate and perchlorate, and was successfully applied to retail coffee products, revealing the presence of these compounds in the beverages.
MICROCHEMICAL JOURNAL
(2021)
Article
Food Science & Technology
Fulya Tasci, Hale Secilmis Canbay, Mahmut Doganturk
Summary: The study found antibiotic residues in non-compliant milk samples, suggesting that not all milk producers adhere to good veterinary practices.
Article
Pharmacology & Pharmacy
Shyam H. Kamble, Erin C. Berthold, Siva Rama Raju Kanumuri, Tamara I. King, Michelle A. Kuntz, Francisco Leon, Marco Mottinelli, Lance R. McMahon, Christopher R. McCurdy, Abhisheak Sharma
Summary: Speciociliatine, a diastereomer of mitragynine, is rapidly metabolized in liver microsomes and hepatocytes through monooxidation and O-demethylation pathways in various species. The metabolism of speciociliatine is predominantly mediated by CYP3A4, with minor contributions from CYP2D6. Slow metabolism of speciociliatine was observed in human and dog hepatocytes, with a longer half-life compared to other species.
Article
Physics, Atomic, Molecular & Chemical
Kimberly R. Dean, Bert C. Lynn
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2019)
Article
Chemistry, Physical
Xinjie Tong, Mahsa Moradipour, Brian Novak, Poorya Kamali, Shardrack O. Asare, Barbara L. Knutson, Stephen E. Rankin, Bert C. Lynn, Dorel Moldovan
JOURNAL OF PHYSICAL CHEMISTRY B
(2019)
Article
Chemistry, Multidisciplinary
Joseph C. Stevens, Lalitendu Das, Justin K. Mobley, Shardrack O. Asare, Bert C. Lynn, David W. Rodgers, Jian Shi
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2019)
Article
Biophysics
Mahsa Moradipour, Emily K. Chase, M. Arif Khan, Shardrack O. Asare, Bert C. Lynn, Stephen E. Rankin, Barbara L. Knutson
COLLOIDS AND SURFACES B-BIOINTERFACES
(2020)
Article
Chemistry, Multidisciplinary
Mohamad Barekati-Goudarzi, Dorin Boldor, Lavrent Khachatryan, Bert Lynn, Ryan Kalinoski, Jian Shi
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Chemistry, Multidisciplinary
Ryan M. Kalinoski, Wenqi Li, Justin K. Mobley, Shardrack O. Asare, Masoumeh Dorrani, Bert C. Lynn, Xiaowen Chen, Jian Shi
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Biochemical Research Methods
Zachary D. Kelley, Mark A. Lovell, Bert C. Lynn
Summary: The CZE-MS method is faster and more sensitive for PK analysis compared to the traditional UHPLC-MS method, providing more metabolic regulation data. By combining with data processing software, metabolism changes can be monitored and putative metabolites can be observed.
BIOMEDICAL CHROMATOGRAPHY
(2022)
Article
Biotechnology & Applied Microbiology
Dennis T. Rogers, Francois Pomerleau, Zachary Kelley, Dustin Brown, Bert Lynn, Greg A. Gerhardt, John Littleton
Summary: The study identified a novel lobinaline N-oxide compound that interacts with the dopamine transporter in a unique way, potentially useful for treating substance use disorders. Target-directed evolution in plant cells proved successful in selecting mutants that overproduce DAT inhibitors, demonstrating its value in optimizing challenging lead compounds.
JOURNAL OF BIOTECHNOLOGY
(2021)
Article
Chemistry, Physical
Kimberly R. Dean, Brian Novak, Mahsa Moradipour, Xinjie Tong, Dorel Moldovan, Barbara L. Knutson, Stephen E. Rankin, Bert C. Lynn
Summary: This study revealed the inclusion interactions between cyclodextrins and lignin model compounds derived from lignocellulosic biomass degradation products through experiments and simulations, showing substantial differences in binding stability among different linkage types, providing valuable information for environmentally sustainable separation of lignin compounds.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Correction
Nanoscience & Nanotechnology
Jorge A. Belgodere, Syed A. Zamin, Ryan M. Kalinoski, Carlos E. Astete, Joseph C. Penrod, Katie M. Hamel, Bert C. Lynn, Jai S. Rudra, Jian Shi, Jangwook P. Jung
ACS APPLIED BIO MATERIALS
(2021)
Article
Physics, Atomic, Molecular & Chemical
Kimberly R. Dean, Bert C. Lynn
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2020)
Article
Nanoscience & Nanotechnology
Jorge A. Belgodere, Syed A. Zamin, Ryan M. Kalinoski, Carlos E. Astete, Joseph C. Penrod, Katie M. Hamel, Bert C. Lynn, Jai S. Rudra, Jian Shi, Jangwook P. Jung
ACS APPLIED BIO MATERIALS
(2019)
