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Journal articles on the topic 'LC IMS QTOF spectrometer'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Ayça, AKÇA UÇKUN, ÖZALP ÖZEN Berna, BİLGEN ÇINAR Serap, et al. "Characterization of phenolic compounds, sterols and geographical fingerprint of Memecik extra-virgin olive oils according to their geographical locations by using LC IMS QTOF Mass Spectrometry." World Journal of Advanced Research and Reviews 13, no. 3 (2022): 170–84. https://doi.org/10.5281/zenodo.6408027.

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Memecik olive oil variety which cultivated in six different locations were evaluated the effects of geographical locations on the chemical characterization of in the southwest of Turkey. The agricultural ecological map of each location was created using GIS. Olive oil samples were analyzed fatty acid, sterol and phenolic. Moreover, LC IMS QTOF spectrometer and Progenesis QI software were used to determine the geographical fingerprints of olive oil samples in different locations. Results showed that oil qualities of all locations differ significantly depending on olive growing area (p <0.05)

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Ayça AKÇA UÇKUN, Berna ÖZALP ÖZEN, Serap BİLGEN ÇINAR, et al. "Characterization of phenolic compounds, sterols and geographical fingerprint of Memecik extra-virgin olive oils according to their geographical locations by using LC IMS QTOF Mass Spectrometry." World Journal of Advanced Research and Reviews 13, no. 3 (2022): 170–84. http://dx.doi.org/10.30574/wjarr.2022.13.3.0171.

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Memecik olive oil variety which cultivated in six different locations were evaluated the effects of geographical locations on the chemical characterization of in the southwest of Turkey. The agricultural ecological map of each location was created using GIS. Olive oil samples were analyzed fatty acid, sterol and phenolic. Moreover, LC IMS QTOF spectrometer and Progenesis QI software were used to determine the geographical fingerprints of olive oil samples in different locations. Results showed that oil qualities of all locations differ significantly depending on olive growing area (p <0.05)

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UÇKUN, Ayça AKÇA, Berna ÖZALP ÖZEN, Serap Bilgen ÇINAR, Serap USTAOĞLU, Betül ÖZDEMİR, and Nergiz Demirta. "Effects of Geographical Location on Chemical Characterization of Erkence Ekstra Virgin Olive Oil in the West of Turkey." EAS Journal of Nutrition and Food Sciences 4, no. 1 (2022): 18–27. http://dx.doi.org/10.36349/easjnfs.2022.v04i01.003.

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Erkence olive oil variety which cultivated in six different locations (Gödence, Orhanlı, Kavakdere, Gölcük, Ulamış, Beyler) were evaluated the effects of geographical locations on the chemical characterization of in the Seferihisar region in the west of Turkey. The agricultural ecological map of each location was created using GIS (Geographic İnformation System). Olive oil samples were analyzed fatty acid, sterol and phenolic. In addition, LC IMS Qtof spectrometer and Progenesis QI software were used to determine the geographical fingerprints of olive oil samples in different locations. In gen

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Uckun, Ayca Akca. "Characterisation of Phenolic Compounds, Sterols and Geographical Fingerprint of Çekişte Extra-Virgin Olive Oils According to their Geographical Locations by Using LC IMS QTOF Mass Spectrometry." Agriculture and Food Sciences Research 8, no. 2 (2021): 20–29. http://dx.doi.org/10.20448/journal.512.2021.82.20.29.

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In this context, aim of this study is to determine the effect of Çekişte olive oils in different locations and show differences on geographical locations while taking geographical indication label. Çekişte olive oil variety which cultivated in six different locations (Birgi, Bademli, Beyazit, Yeniceköy, Zeytinlik, Uzumlu) were evaluated the effects of geographical locations on the chemical characterization of in the southwest of Turkey. The agricultural ecological map of each location was created using GIS. Olive oil samples were analyzed fatty acid, sterol and phenolic. Moreover, LC IMS Qtof

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Prianichnikov, Nikita, Heiner Koch, Scarlet Koch, et al. "MaxQuant Software for Ion Mobility Enhanced Shotgun Proteomics." Molecular & Cellular Proteomics 19, no. 6 (2020): 1058–69. http://dx.doi.org/10.1074/mcp.tir119.001720.

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Ion mobility can add a dimension to LC-MS based shotgun proteomics which has the potential to boost proteome coverage, quantification accuracy and dynamic range. Required for this is suitable software that extracts the information contained in the four-dimensional (4D) data space spanned by m/z, retention time, ion mobility and signal intensity. Here we describe the ion mobility enhanced MaxQuant software, which utilizes the added data dimension. It offers an end to end computational workflow for the identification and quantification of peptides and proteins in LC-IMS-MS/MS shotgun proteomics

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de Sousa Dias, Aécio L., Arnaud Verbaere, Emmanuelle Meudec, et al. "Improved Analysis of Isomeric Polyphenol Dimers Using the 4th Dimension of Trapped Ion Mobility Spectrometry—Mass Spectrometry." Molecules 27, no. 13 (2022): 4176. http://dx.doi.org/10.3390/molecules27134176.

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Dehydrodicatechins resulting from (epi)catechin oxidation have been investigated in different foods and natural products, but they still offer some analytical challenges. The purpose of this research is to develop a method using ultra-high performance liquid chromatography coupled with trapped ion mobility spectrometry and tandem mass spectrometry (UHPLC−ESI−TIMS−QTOF−MS/MS) to improve the characterization of dehydrodicatechins from model solutions (oxidation dimers of (+)-catechin and/or (−)-epicatechin). Approximately 30 dehydrodicatechins were detected in the model solutions, including dehy

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Claassen, Christin, Jürgen Kuballa, and Sascha Rohn. "Polar Lipids in Starch-Rich Commodities to be Analyzed with LC-MS-Based Metabolomics—Optimization of Ionization Parameters and High-Throughput Extraction Protocols." Metabolites 9, no. 8 (2019): 167. http://dx.doi.org/10.3390/metabo9080167.

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Metabolomics-based approaches are still receiving growing attention with regard to food authenticity testing. Such studies require enormous sample numbers with negligible experimental or analytical variations to obtain statistically reliable results. In this context, an extraction protocol in line with optimized ionization parameters was developed in consideration of potential starch-derived matrix effects focusing on the polar lipids of potatoes. Therefore, well-known extractions (Bligh and Dyer, Folch, Matyash, and a n-hexane-based procedure) were compared in a non-targeted and a targeted ap

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Wyss, Kevin M., Graham C. Llivina, and Angela I. Calderón. "Biochemometrics and Required Tools in Botanical Natural Products Research: A Review." Combinatorial Chemistry & High Throughput Screening 22, no. 5 (2019): 290–306. http://dx.doi.org/10.2174/1386207322666190704094003.

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This review serves to highlight the role of chemometrics and biochemometrics in recent literature as well as including a perspective on the current state of the field, as well as the future needs and possible directions. Specifically examining the analytical methods and statistical tools that are available to chemists, current applications of QTOF-MS, Orbitrap-MS, LC with PDA/UV detectors, NMR, and IMS coupled MS are detailed. Of specific interest, these techniques can be applied to botanical dietary supplement quality, efficacy, and safety. Application in natural products drug discovery, indu

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Fauchere, Camille, Markoulina Berger-Gryllaki, and Farshid Sadeghipour. "Investigation of Drug-Packaging Interactions with Mass Spectroscopy Detectors: A Meta-Synthesis of the Literature." Pharmaceutical Technology in Hospital Pharmacy 4, no. 1 (2019): 3–14. http://dx.doi.org/10.1515/pthp-2018-0027.

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Abstract Background The production of hospital-compounded medicines with a longer shelf life raises questions about drug-packaging interactions, especially desorption events involving extractables and leachables (E/L). A meta-synthesis of the literature was performed to describe which mass spectrometer is suitable for identifying and quantifying E/L. Methods A meta-synthesis of studies focused on the identification or quantification of E/L published between January 1997 and December 2017 was performed. Inclusion criteria were E/L studies dealing with pharmaceutical products, in which mass spec

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Mittermayr, Stefan, Jonathan Bones, Giao N. Le, and Peter O'Gorman. "Characterisation of Myeloma Paraprotein Glycosylation Reveals Functional Insights and Increased Sialylation of Residual Polyclonal Antibodies." Blood 126, no. 23 (2015): 1775. http://dx.doi.org/10.1182/blood.v126.23.1775.1775.

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Abstract Background A pathognomonic feature of multiple myeloma is the presence abnormal monoclonal immunoglobulin, of which immunoglobulin G (IgG) paraprotein is the most common. All subclasses of Igs are post-translationally modified by the addition of N-glycans. The added N-glycosylation plays a key role in modulating the structure and function of the antibody. It has been recently demonstrated that high resolution mass spectrometry can facilitate the detection of myeloma associated monoclonal immunoglobulin. Herein, a simple method for the enrichment of monoclonal immunoglobulin from total

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Manis, Cristina, Paola Scano, Anna Nudda, Silvia Carta, Giuseppe Pulina, and Pierluigi Caboni. "LC-QTOF/MS Untargeted Metabolomics of Sheep Milk under Cocoa Husks Enriched Diet." Dairy 2, no. 1 (2021): 112–21. http://dx.doi.org/10.3390/dairy2010011.

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The aim of this work was to evaluate, by an untargeted metabolomics approach, changes of milk metabolites induced by the replacement of soybean hulls with cocoa husks in the ewes’ diet. Animals were fed with a soybean diet integrated with 50 or 100 g/d of cacao husks. Milk samples were analyzed by an ultra high performance liquid chromatograph coupled to a time of flight mass spectrometer (UHPLC-QTOF-MS) platform. Multivariate statistical analysis showed that the time of sampling profoundly affected metabolite levels, while differences between treatments were evident at the fourth week of samp

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Ron, Izhar, Hagay Sharabi, Amalia Zaltsman, et al. "Non-Contact, Continuous Sampling of Porous Surfaces for the Detection of Particulate and Adsorbed Organic Contaminations by Low-Temperature Plasma Coupled to Ion Mobility Spectrometer." Sensors 23, no. 4 (2023): 2253. http://dx.doi.org/10.3390/s23042253.

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Chemical analysis of hazardous surface contaminations, such as hazardous substances, explosives or illicit drugs, is an essential task in security, environmental and safety applications. This task is mostly based on the collection of particles with swabs, followed by thermal desorption into a vapor analyzer, usually a detector based on ion mobility spectrometry (IMS). While this methodology is well established for several civil applications, such as border control, it is still not efficient enough for various conditions, as in sampling rough and porous surfaces. Additionally, the process of th

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Luetragoon, Thitiya, Rungnapa Pankla Sranujit, Chanai Noysang, et al. "Bioactive Compounds in Moringa oleifera Lam. Leaves Inhibit the Pro-Inflammatory Mediators in Lipopolysaccharide-Induced Human Monocyte-Derived Macrophages." Molecules 25, no. 1 (2020): 191. http://dx.doi.org/10.3390/molecules25010191.

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Moringa oleifera (MO) is an important plant for traditional medicine. The present study aimed to identify the MO active phytochemical compounds for their ability against inflamed macrophages. An ethyl acetate extract fraction of MO was fractionation by flash column chromatography. Human macrophages were stimulated by Lipopolysaccharide and then treated with fractions of MO to examine their anti-inflammatory activity and cellular mechanism. The active fractions were analyzed by liquid chromatography with electrospray ionization quadrupole time-of-flight mass spectrometer (LC-ESI-QTOF-MS). MO tr

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Mabasa, X. E., L. M. Mathomu, N. E. Madala, E. M. Musie, and M. T. Sigidi. "Molecular Spectroscopic (FTIR and UV-Vis) and Hyphenated Chromatographic (UHPLC-qTOF-MS) Analysis and In Vitro Bioactivities of the Momordica balsamina Leaf Extract." Biochemistry Research International 2021 (September 28, 2021): 1–12. http://dx.doi.org/10.1155/2021/2854217.

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Momordica balsamina (M. balsamina) is a medicinal herb comprising health-promoting secondary metabolites. This study was aimed to profile bioactive compounds in the methanolic extract of M. balsamina leaves using molecular spectroscopic (UV-Vis and FTIR) and hyphenated chromatographic (UHPLC-qTOF-MS) techniques and evaluate the biological (in vitro anti-inflammatory and cytotoxicity) activities of the extract. The preliminary phytochemical screening tests revealed the presence of cardiac glycosides, flavonoids, saponins, tannins, and terpenoids. The UV-Vis profile revealed various absorption b

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Kulyyassov, Arman, Saya Makhsatova, and Aruzhan Kurmanbay. "Protein Identification Improvement in Complex Samples Using Higher Frequency MS Acquisition and PEAKS Software." Applied Sciences 15, no. 2 (2025): 666. https://doi.org/10.3390/app15020666.

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Protein identification in complex biological samples using the shotgun mode of LC-MS/MS is typically enhanced by employing longer LC columns and extended gradient times. However, improved identification rates can also be achieved by optimizing MS acquisition frequencies and employing advanced software, without increasing analysis time, thus maintaining the throughput of the method. To date, we found only one study in the literature examining the influence of MS acquisition frequency on protein identification, specifically using two ion trap mass spectrometer models. This study aims to address

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Parisis, Nikolaos A., Panoraia Bousdouni, Aikaterini Kandyliari, et al. "Development and Validation of a Simple and Cost-Effective LC-MS/MS Method for the Quantitation of the Gut-Derived Metabolite Trimethylamine N-Oxide in Human Plasma of Healthy and Hyperlipidemic Volunteers." Molecules 30, no. 11 (2025): 2398. https://doi.org/10.3390/molecules30112398.

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Trimethylamine N-oxide (TMAO) is a gut microbial metabolite of dietary precursors, including choline and carnitine. Elevated levels of TMAO in human plasma have been associated with several diseases such as cardiovascular, diabetes mellitus, chronic kidney disease, neurological disorders, and cancer. This has led to an increased interest in the accurate determination of TMAO in human blood, for which a reliable, cost-effective and sensitive analytical method should be established. LC-MS/MS has emerged as a powerful tool for the determination of TMAO due to its high sensitivity, specificity, an

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Yasen, Subinuer, Chengrui Li, Siyuan Wang, et al. "Comprehensive Characterization of Triterpene Saponins in Rhizoma Panacis Japonici by Offline Two-Dimensional Liquid Chromatography Coupled to Quadrupole Time-of-Flight Mass Spectrometry." Molecules 29, no. 6 (2024): 1295. http://dx.doi.org/10.3390/molecules29061295.

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Rhizoma Panacis Japonici (RPJ) is an ancient herbal medicine from China that has long been employed for its medicinal benefits in relieving arthritis physical debility and diverse afflictions. The primary bioactive constituents found in RPJ are triterpene saponins, which exhibit numerous pharmacological actions, including anti-inflammatory, antioxidant, and immunomodulating effects. The present study established a straightforward and effective approach for characterizing triterpene saponins in RPJ. An offline HILIC × RP LC/QTOF-MS method was developed, along with a self-constructed in-house da

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Zhang, Wen, Lili Gong, Song Yang, et al. "Lipidomics Profile Changes of Type 2 Diabetes Mellitus with Acute Myocardial Infarction." Disease Markers 2019 (November 16, 2019): 1–7. http://dx.doi.org/10.1155/2019/7614715.

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The morbidity and mortality of cardiovascular disease (CVD)/acute myocardial infarction (AMI) of type 2 diabetes mellitus (T2DM) patients are extremely higher than those without T2DM. Biomarkers can be used to predict the occurrence of acute myocardial infarction, thus effectively reducing the incidence of CVD events, particularly in T2DM patients. Lipids have been shown to be biomarkers and potential therapeutic targets for human diseases. The aim of our study was to investigate the prognostic value of lipid biomarkers for predicting AMI in T2DM patients. A total of 420 subjects were recruite

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Taira, Shu, Akari Ikeda, Yuki Sugiura, et al. "Pyrylium based derivatization imaging mass spectrometer revealed the localization of L-DOPA." PLOS ONE 17, no. 8 (2022): e0271697. http://dx.doi.org/10.1371/journal.pone.0271697.

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Simultaneous imaging of l-dihydroxyphenylalanine (l-DOPA), dopamine (DA) and norepinephrine (NE) in the catecholamine metabolic pathway is particularly useful because l-DOPA is a neurophysiologically important metabolic intermediate. In this study, we found that 2,4,6-trimethylpyrillium tetrafluoroborate (TMPy) can selectively and efficiently react with target catecholamine molecules. Specifically, simultaneous visualization of DA and NE as metabolites of l-DOPA with high steric hinderance was achieved by derivatized-imaging mass spectrometry (IMS). Interestingly, l-DOPA showed strong localiza

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Wurth, Rachel, Coleman Turgeon, ZinandrÃ©Stander, et al. "367 Designing an Untargeted Metabolomics Assay to Detect Biomarkers for Inborn Errors of Metabolism in the Clinical Laboratory." Journal of Clinical and Translational Science 7, s1 (2023): 109. http://dx.doi.org/10.1017/cts.2023.405.

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OBJECTIVES/GOALS: To develop an untargeted metabolomics assay that can holistically characterize the small molecule signatures of different inborn errors of metabolism (IEM) for biomarker discovery and identification of novel IEMs, with the goal of implementing the assay into the clinical laboratory to improve testing efficiency. METHODS/STUDY POPULATION: A hydrophilic interaction liquid chromatography (HILIC) column and reverse phase (RP) column were assembled in tandem on a SCIEX X500B quadrupole time-of-flight (QTOF) system to create a dual liquid chromatography (LC), tandem mass spectromet

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Shahid, Mohammad, Udai B. Singh, and Mohammad Saghir Khan. "Metabolomics-Based Mechanistic Insights into Revealing the Adverse Effects of Pesticides on Plants: An Interactive Review." Metabolites 13, no. 2 (2023): 246. http://dx.doi.org/10.3390/metabo13020246.

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In plant biology, metabolomics is often used to quantitatively assess small molecules, metabolites, and their intermediates in plants. Metabolomics has frequently been applied to detect metabolic alterations in plants exposed to various biotic and abiotic stresses, including pesticides. The widespread use of pesticides and agrochemicals in intensive crop production systems is a serious threat to the functionality and sustainability of agroecosystems. Pesticide accumulation in soil may disrupt soil–plant relationships, thereby posing a pollution risk to agricultural output. Application of metab

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Kwan, Soon Hong, Nur Hidayah Kaz Abdul Aziz, and Mohd Nazri Ismail. "Bioactive Proteins in Channa striata Promote Wound Healing through Angiogenesis and Cell Proliferation." Protein & Peptide Letters 27, no. 1 (2019): 48–59. http://dx.doi.org/10.2174/0929866526666190730121711.

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Background: Channa striata are speculated to contain bioactive proteins with the ability to enhancing wound healing. It is commonly consumed after surgery for a faster recovery of the wound. Objective: To identify the bioactive proteins and evaluate their ability in cell proliferation and angiogenesis promotion. Material and Methods: Freeze-Dried Water Extracts (FDWE) and Spray-Dried Water Extracts (SDWE) of C. striata were tested with MTT assay using EA.hy926 endothelial cell line and ex-vivo aortic ring assay. Later the proteins were fractionated and analysed using an LC-QTOF mass spectromet

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Tausendfreund, Ingo, and Thomas Gloger. "High concentrations of Spermidine in Drone Milk (Apilarnil)." Apis 2, no. 1 (2025): 42–47. https://doi.org/10.62949/02617046.0871143.

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Spermidine is a biogenic amine. Spermidine induces autophagy and may extend life span, reduce dementia and other common diseases. Therefore, it gained popularity as a food additive derived e.g. from wheat germs. Drone milk or Apilarnil (ApiDrohn®) is a high value hive product extracted from the male larvae and conserved by lyophilisation.Apilarnil is used in traditional apitherapy for versatile applications.In this project the presence of Spermidine in Apilarnil (fresh/different-larva-stages/ dry-techniques/vehicle-solutions) was identified and quantified. A workflow was set up comprising an e

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MANGOYI, Japhet, Mlungisi NGCOBO, Nceba GQALENI, et al. "ACUTE AND SUB-ACUTE TOXICITY OF UTHULI LWEZICHWE™, A TRADITIONAL MEDICINE USED IN THE MANAGEMENT OF DIABETES MELLITUS IN KWAZULU NATAL, SOUTH AFRICA." African Journal of Traditional, Complementary and Alternative Medicines 18, no. 1 (2022): 1–14. http://dx.doi.org/10.21010/ajtcamv18i1.1.

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Background: The number of people using traditional medicines in the management of chronic diseases is increasing. The safety profile of some of the formulations, however, has not been scientifically demonstrated. This study assessed the acute and sub-acute toxicity of Uthuli Lwezichwe™ (UL), a traditional medicine used by a traditional healer in the management of diabetes mellitus. Materials and Methods: In the acute toxicity assay, one female Sprague dawley rat was administered 1000mg/kg body weight (BW) of Uthuli lwezichwe™ and observed for 14 days. In the sub-acute assay, 24 Sprague dawley

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Nacha, Jutamat, Kanjana Soodpakdee, and Sunita Chamyuang. "Nutritional Improvement of Germinated Riceberry Rice (Oryza sativa) Cultivated with Pleurotus ostreatus Mycelium." Trends in Sciences 20, no. 9 (2023): 5574. http://dx.doi.org/10.48048/tis.2023.5574.

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Riceberry rice is a whole grain rice variety, which is rich in vitamin E, anthocyanin, phenolic acids, flavonoids, phytosterol antioxidants and fiber. The nutritional of Riceberry rice could be further improved by germination process, with this process the g-aminobutyric acid (GABA) in rice samples is increased. Furthermore, solid stage fermentation (SSF) of rice and grains with fungi have been employed in the food industry such as rice fermented with Aspergillus oryzae for rice koji production, or soybean fermented with Rhizopus oryzae to produce Tempeh. This fermentation step is not only for

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Xiao, Y., M. Wakefield, M. Gabra, and E. Leung. "B-168 Development and Validation of a Quantitative Ultra-Performance Liquid Chromatography Quadrupole Time-of-Flight (UPLC-QToF) Method for Urine Organic Acid Analysis." Clinical Chemistry 70, Supplement_1 (2024). http://dx.doi.org/10.1093/clinchem/hvae106.528.

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Abstract Background Urine organic acid (UOA) analysis is essential for the diagnosis of inborn errors of metabolism (IEMs). Traditionally, UOA analysis is performed with gas chromatography-mass spectrometry (GC-MS) and requires time-consuming sample preparation steps including liquid-liquid extraction and derivatization. The rapid development of Ultra-Performance Liquid Chromatography Tandem Mass Spectrometry (UPLC-MS/MS) in the past few years provides the opportunity to perform UOA analysis with a dilute-and-shoot methodology. We describe the development and validation of a quantitative Ultra

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"The Effect of the Climatic and Topographic Conditions of Different Locations on the Geographical Fingerprints of EVOOS by using LC IMS Qtof Mass Spectrometry." International Journal of Research in Environmental Science 7, no. 3 (2021). http://dx.doi.org/10.20431/2454-9444.0703001.

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Narasimhan, M., P. M. Jones, A. Poling, et al. "B-275 Trends of urine drug testing findings in a pediatric hospital from 2019 to 2023." Clinical Chemistry 70, Supplement_1 (2024). http://dx.doi.org/10.1093/clinchem/hvae106.632.

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Abstract Background Semi-quantitative immunoassays (IA) are commonly used as the initial urine drug screen (UDS), with positive results confirmed by additional testing. However, substantial false negative (FN) rates have been reported in the classes of opioids and amphetamines. In our pediatric hospital, a semi-quantitative comprehensive urine drug testing by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF) MS (referred as QTOF) is offered as either a direct order or a reflexive order following positive IA UDS. The lab also reflexes to run an IA UDS with every direct

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Pavan Kumar, P., Bandi Siva, Kumar Katragunta, et al. "Investigation of Cytotoxic Constituents from Seed Pulp of Entada Phaseoloides and Metabolite Profiling Using UPLC-QTOF-MSE." Journal of AOAC INTERNATIONAL, September 30, 2020. http://dx.doi.org/10.1093/jaoacint/qsaa137.

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Abstract Background Entada phaseoloides (Linn.) Merr. (Family: Fabaceae) is a well-known, traditional, medicinal plant that has been extensively used in the Ayurvedic system of medicine for centuries to combat a wide range of ailments. Objective The goal of this work was to investigate the bioactive constituents from n-butanol extracts of Entada. phaseoloides and develop a method for the comprehensive characterization of saponins using liquid chromatography with an electrospray ionization quadrupole time-of-flight mass spectrometer (LC-ESI-QTOF-MS). Methods A hyphenated technique, ultra-perfor

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Brito de Oliveira Moreira, Olívia, Jéssica Cordeiro Queiroz de Souza, João Marcos Beraldo Candido, et al. "Factorial design applied to LC-ESI-QTOF mass spectrometer parameters for untargeted metabolomics." Analytical Methods, 2023. http://dx.doi.org/10.1039/d3ay00094j.

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Tanaka, Yukari. "Development of High‐Throughput Quantitative Imaging Mass Spectrometry for Analysis of Drug Distribution in Tissues." Journal of Mass Spectrometry 60, no. 5 (2025). https://doi.org/10.1002/jms.5135.

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ABSTRACTMatrix‐assisted laser desorption/ionization–imaging mass spectrometry (MALDI–IMS) is applied in drug discovery and development. A high‐throughput quantitative MALDI–IMS methodology was developed to confirm whether epertinib is superior to lapatinib in penetrating brain metastases using intraventricular injection mouse models (IVMs) of human EGFR2 (HER2)‐positive breast or T790M–EGFR‐positive lung cancer cells. A simple calibration curve was prepared for each compound via spotting standard solutions without using blank tissue sections or blank tissues onto the same glass slide as the ep

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Kumar, Ajay, Narpinder Singh, and Robin Joshi. "Comprehensive characterization of bioactive peptides in rice bran protein hydrolysates: A multi‐platform approach for metabolomic profiling, identification, and molecular docking analysis." Cereal Chemistry, June 6, 2024. http://dx.doi.org/10.1002/cche.10802.

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AbstractBackground and ObjectivesTo optimize the utilization of rice by‐products, the rice bran protein hydrolysate (RBPH) was subjected to a process of separation and purification using ultrafiltration and reversed‐phase high‐performance liquid chromatography (RP‐HPLC). Subsequently, the identification of peptide sequences was carried out using mass spectrometer hybrid quadrupole‐time‐of‐flight and nontargeted metabolomic profiling done using UHPLC‐QTOF‐IMS profiling to identify antioxidant and antihypertensive amino acids.FindingsThree novel bioactive peptides, namely, STCCK, FMKSK, and KICI

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Tran, An Chieu, Ngoc Hong Pham, Nhu Phan Huynh Tran, Kiem Hoang Ung Nguyen, Hung Ngoc Le, and Trung Van Phung. "Analysis of chemical components from “white turmeric” (Curcuma sp.) fraction with antioxidant activity by ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF/MS)." Science and Technology Development Journal, 2022. http://dx.doi.org/10.32508/stdj.v25i2.3906.

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Curcuma (Zingiberaceae) is a large rhizomatous herb genus found in tropical and subtropical areas. The biological activities of Curcuma species have been extensively studied. This research concentrated on rapidly determining the phytochemicals with antioxidant activity from Curcuma sp. with the aid of high-resolution mass spectrometry (HRMS). In this study, the antioxidant activity of Curcuma sp. extract and fractions were determined by DPPH assay. Overall, fraction F3 had the highest antioxidant property (IC50 = 20.91 µg/mL), which was then analyzed by UHPLC-Q-TOF/MS in negative electrospray

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Liu, Fang‐Tong, Yue‐Hua Chen, Wen‐Yu Wang, et al. "A Comprehensive Analysis of Volatile and Nonvolatile Components in Berberis fortunei and Its Inhibition Against HT29 Colorectal Cancer Cells Through GC‐IMS, LC‐QTOF‐MS, and Docking‐Based Network Analysis." Phytochemical Analysis, March 4, 2025. https://doi.org/10.1002/pca.3523.

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ABSTRACTIntroductionBerberis fortunei Lindl. (BF) is a medicinal plant widely utilized in East Asia. However, the chemical components present in its roots, stems, and leaves have not been systematically analyzed and compared. The specific active ingredients that inhibit HT29 colorectal cancer cells are still unclear.ObjectiveThe aim of this study is to comprehensively analyze the chemical compositions of BF's roots, stems, and leaves and to evaluate their biological function against HT29 cells.MethodologyGC‐IMS and LC‐QTOF‐MS were employed to analyze the volatile and nonvolatile components of

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Carlos, John, Clarisse Gosset‐Erard, Jean‐Yves Salpin, and Salomé Poyer. "Electron Transfer Dissociation of Alkali‐Cationized Phosphatidylcholines Allows Easy Double Bonds and sn‐1/sn‐2 Localizations." Rapid Communications in Mass Spectrometry 39, no. 4 (2024). https://doi.org/10.1002/rcm.9956.

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ABSTRACTRationaleThe emergence of new mass spectrometry (MS) dissociation methods has highlighted lipid isomers as new biomarkers. Only a few commercial methods without derivatization are available to characterize phosphatidylcholines (PCs) at the isomeric level. We propose to use electron transfer dissociation (ETD) as a method to determine the position of both double bonds and stereo numbering (sn) on glycerol for PC species.MethodsDoubly charged PCs were analyzed using alkali salts to promote the formation of [PC + 2Alk]2+ species. ETD‐MS2 experiments were performed using a quadrupole ion t

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Feitosa, Luís Guilherme Pereira, Juliana Massimino Feres, Camila Capel Godinho, et al. "Characterization of Larvicidal Diterpene Resin Acids in Melipona quadrifasciata Geopropolis via LC‐ESI‐MS/MS, GC–MS and Computational Analysis." Rapid Communications in Mass Spectrometry 39, no. 12 (2025). https://doi.org/10.1002/rcm.10025.

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ABSTRACTRationaleDengue, an arboviral disease transmitted by the Aedes aegypti mosquito, is a major global public health problem challenge. Insecticides based on natural products can provide a good alternative to synthetic agents, as they are safer for both the environment and human health. This study evaluated the activity of geopropolis from stingless bees and Apis mellifera bees on Ae. aegypti, using mass spectrometry approaches to identify compounds with larvicidal potential against Ae. aegypti.MethodsThe larvicidal activity of propolis from stingless bees and A. mellifera, as well as the

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Truver, Michael T., Chris W. Chronister, Amy M. Kinsey, Jennifer L. Hoyer, and Bruce A. Goldberger. "Toxicological Analysis of Fluorofentanyl Isomers in Postmortem Blood." Journal of Analytical Toxicology, March 11, 2022. http://dx.doi.org/10.1093/jat/bkac014.

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Abstract The opioid epidemic continues to evolve in the USA, with fentanyl the most prevalent synthetic opioid in fatal drug overdoses. Following the scheduling of fentanyl’s core structure in 2018, there was a notable decline in the prevalence of fentanyl analogs in decedents; however, fluorofentanyl began being reported in casework in the winter of 2020. Fluorofentanyl has three positional isomers (para-fluorofentanyl (p-FF), ortho-fluorofentanyl (o-FF) and meta-fluorofentanyl (m-FF)), with the most predominant isomer that has recently emerged in the USA being p-FF. The goal of this study wa

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Barbara, Abramczyk, Pecio Łukasz, Kozachok Solomiia, et al. "Molecular Identification and Pioneering Metabolomic Studies on Diaporthe eres from Fruit Trees in the South-Eastern Poland." November 28, 2022. https://doi.org/10.5281/zenodo.7371706.

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Raw Bruker LC-HRESIMS files (Negative and Positive ionization modes). File details - see the worksheets <em>Sample_coding_inj_order.xlsx</em> Feature tables with QCs obtained from MS-DIAL in NEG (<em>NEG_feature_table_8hosts.csv</em>) and in POS (<em>POS_feature_table_8hosts.csv</em>) used in PCA. Feature tables w/o QCs and with RSD<20% features filtering in NEG (<em>NEG_feature_table_2clusters_QCsrem_RSDrem.csv</em>) and in POS (<em>POS_feature_table_2clusters_QCsrem_RSDrem.csv</em>) used in PCA, PLS-DA and biomarker analysis. Feature table used for generating heatmap in NEG (<em>NEG_featu

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SYROESHKIN, A. V., T. V. PLETENEVA, E. V. USPENSKAYA, et al. "THE THE EFFECT OF THERMAL STERILIZATION AND EXCIPIENTS ON THE STABILITY OF ASCORBIC ACID IN AQUEOUS SOLUTIONS." International Journal of Applied Pharmaceutics, August 6, 2019, 313–16. http://dx.doi.org/10.22159/ijap.2019v11i5.34025.

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Objective: To investigate the thermal stability of aqueous solutions of L-ascorbic acid (AA) and its reactions with excipients for the improvement of the injection forms technology. Methods: Solutions of L-ascorbic acid were prepared using deuterium depleted water (DDW-«light» water, D/H=4 ppm) and natural deionized high-ohmic water (BD, D/H=140 ppm). The optical rotation was observed using an automatic polarimeter Atago POL-1/2. Electrospray tandem mass spectra were recorded by Sciex X500R QTOF. Electronic spectra were recorded by UV-spectrometer Cary 60 (Agilent). Unicellular biosensor

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Huang, Lingyi, Dejan Nikolic, and Richard B. van Breemen. "Hepatic Metabolism of Licochalcone A, a Chalcone from the Licorice Species Glycyrrhiza inflata." FASEB Journal 31, S1 (2017). http://dx.doi.org/10.1096/fasebj.31.1_supplement.822.9.

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IntroductionLicochalcone A is a chalcone natural product that has been isolated from roots of the licorice species, Glycyrrhiza inflata. It shows antimalarial, anticancer, antibacterial, and antiviral (specifically against influenza neuraminidase) properties in vitro. Since little information is available concerning the human bioavailability and metabolism of licochalcone A, we carried out preclinical in vitro hepatic metabolism studies. Several Phase I and phase II metabolites were observed and characterized using high resolution LC‐MS/MS with accurate mass measurement. Based on fragmentation

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Ten-Doménech, Isabel, Victoria Ramos-Garcia, Abel Albiach-Delgado, et al. "Normalization Approaches for Extracellular Vesicle-derived Lipidomic Fingerprints – A Human Milk Case Study." Chemometrics and Intelligent Laboratory Systems 105070 (January 26, 2024). https://doi.org/10.5281/zenodo.8042647.

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<strong>Study aim</strong> The aim of this study was to expand our understanding of the lipidomic profile of HM-EVs, with a specific focus on the data normalization process. <strong>Study desing</strong> HM samples from mothers of preterm (N = 5) and term infants (N = 5) and a pool of donor human milk from 20 mothers (before and after pasteurization) were collected. EVs were isolated by multi-stage ultracentrifugation and characterized in terms of total protein content, total particle count and size, surface tetraspanin profile and protein markers, and morphology. Lipidomic analysis after sing

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