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Pharmaceuticals
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Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences
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Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Pharmacology".

Deadline for manuscript submissions: closed (25 November 2024) | Viewed by 4674

Special Issue Editors

Dr. Andrew P. Bowman

E-Mail Website
Guest Editor
AbbVie, Inc., 1 Waukegan Rd, North Chicago, IL 60064, USA
Interests: quantitation; sensitivity; imaging
Dr. Rob J. Vreeken

E-Mail Website
Guest Editor
Division of Imaging Mass Spectrometry, Maastricht MultiModal Molecular Imaging (M4I) Institute, Maastricht University, Maastricht, The Netherlands
Interests: mass spectrometry (imaging); analytical method development; quantitation

Special Issue Information

Dear Colleagues, 

Mass spectrometry metrology is a critical aspect of the pharmaceutical industry as it enables the precise and accurate measurement of drug compounds, metabolites, and impurities. This technology plays a vital role in drug discovery, pharmacokinetics, and clinical research, making it an essential tool for pharmaceutical scientists. 

The Special Issue of Pharmaceuticals aims to showcase the latest developments in mass spectrometry metrology, including new techniques, instrumentation, and data analysis methods. This Special Issue will feature research articles, reviews, and communications that highlight the advancements and applications of mass spectrometry in pharmaceutical sciences. 

We invite you to submit original research and review articles addressing advances in mass spectrometry metrology in its application to the pharmaceutical industry to be published in this Special Issue of Pharmaceuticals. Proposed topics related to the general theme include, but are not limited to, improved techniques for sensitivity, new datamining algorithms to search for metabolites, new technologies for the ionization of pharmaceuticals, and trace analysis of pharmaceuticals in un-dosed populations. 

Yours sincerely,

Dr. Andrew P. Bowman
Prof. Rob J. Vreeken
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • analytical standards
  • calibration
  • quality control
  • reference materials
  • validation
  • impurities
  • stability
  • traceability
  • analytical methods
  • drug analysis

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Further information on MDPI's Special Issue polices can be found here.

Published Papers (3 papers)

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Research

15 pages, 1342 KiB  
Article
Qualitative and Quantitative Analysis of Phytochemicals in Sayeok-Tang via UPLC-Q-Orbitrap-MS and UPLC-TQ-MS/MS
by Yu Jin Kim, Seol Jang and Youn-Hwan Hwang
Pharmaceuticals 2024, 17(9), 1130; https://doi.org/10.3390/ph17091130 - 27 Aug 2024
Viewed by 1117
Abstract
Sayeok-tang (SYT) is a traditional herbal formula comprising three medicinal herbs: Glycyrrhiza uralensis, Zingiber officinale, and Aconitum carmichaeli. Several studies have employed liquid chromatography-mass spectrometry (LC-MS) to qualitatively analyze the components and metabolites of SYT in vitro and in vivo; [...] Read more.
Sayeok-tang (SYT) is a traditional herbal formula comprising three medicinal herbs: Glycyrrhiza uralensis, Zingiber officinale, and Aconitum carmichaeli. Several studies have employed liquid chromatography-mass spectrometry (LC-MS) to qualitatively analyze the components and metabolites of SYT in vitro and in vivo; however, studies on quantitative analysis of SYT, which is important for quality control, are absent or limited to only a few components. In this study, ultrahigh-performance liquid chromatography coupled with quadrupole (UPLC-Q)-Orbitrap-MS was used to screen the phytochemicals of SYT, revealing a total of 42 compounds. Among them, 24 compounds were simultaneously quantified within 20 min via UPLC-TQ-MS/MS in the multiple reaction monitoring mode. The developed analytical method was validated for its linearity (r2 ≥ 0.9992), precision (0.36–2.96%), accuracy (−6.52–4.64%), and recovery (94.39–119.07%) for all analytes, exhibiting acceptable results. The validated method was applied in the analysis of SYT extracts, and the 24 compounds were quantified in the range of 0.004–6.882 mg/g (CV ≤ 3.746%). Among them, liquiritin apioside (6.870–6.933 mg/g), glycyrrhizic acid (5.418–5.540 mg/g), and liquiritin (1.303–1.331 mg/g) from G. uralensis were identified as the relatively abundant compounds. The presented validated analytical method is highly promising for the comprehensive quality control of SYT, offering fast, highly sensitive, and reliable analysis. Full article
(This article belongs to the Special Issue Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences)
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23 pages, 2166 KiB  
Article
Unraveling the Bioactive Potential of Camellia japonica Edible Flowers: Profiling Antioxidant Substances and In Vitro Bioactivity Assessment
by Antia G. Pereira, Maria Fraga-Corral, Aurora Silva, Maria Fatima Barroso, Clara Grosso, Maria Carpena, Pascual Garcia-Perez, Rosa Perez-Gregorio, Lucia Cassani, Jesus Simal-Gandara and Miguel A. Prieto
Pharmaceuticals 2024, 17(7), 946; https://doi.org/10.3390/ph17070946 - 15 Jul 2024
Cited by 2 | Viewed by 1766
Abstract
In recent years, the search for novel natural-based ingredients by food and related industries has sparked extensive research aimed at discovering new sources of functional molecules. Camellia japonica, traditionally known as an ornamental plant, has gained attention due to its diverse array [...] Read more.
In recent years, the search for novel natural-based ingredients by food and related industries has sparked extensive research aimed at discovering new sources of functional molecules. Camellia japonica, traditionally known as an ornamental plant, has gained attention due to its diverse array of bioactive compounds with potential industrial applications. Although C. japonica flowers are edible, their phytochemical profile has not been thoroughly investigated. In this study, a phenolic profile screening through an HPLC–ESI-QQQ-MS/MS approach was applied to C. japonica flower extracts, revealing a total of 36 compounds, including anthocyanins, curcuminoids, dihydrochalcones, dihydroflavonols, flavonols, flavones, hydroxybenzoic acids, hydroxycinnamic acids, isoflavonoids, stilbenes, and tyrosols. Following extract profiling, their bioactivity was assessed by means of in vitro antioxidant, antimicrobial, cytotoxic, and neuroprotective activities. The results showed a multifaceted high correlation of phenolic compounds with all the tested bioactivities according to Pearson’s correlation analysis, unraveling the potential of C. japonica flowers as promising sources of nutraceuticals. Overall, these findings provide insight into the valorization of C. japonica flowers from different unexplored cultivars thus diversifying their industrial outcome. Full article
(This article belongs to the Special Issue Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences)
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12 pages, 543 KiB  
Article
An Ultra-Performance Liquid Chromatography–Tandem Mass Spectrometric Method for the Simultaneous Determination of Eighteen Marker Compounds in the Traditional Herbal Formula Bopyeo-Tang
by Chang-Seob Seo
Pharmaceuticals 2024, 17(3), 352; https://doi.org/10.3390/ph17030352 - 8 Mar 2024
Viewed by 1173
Abstract
Bopyeo-tang (BPT), comprising six medicinal plants, has been used for the treatment of respiratory diseases such as pulmonary fibrosis and chronic obstructive pulmonary disease. In this study, we developed and validated a quantitative method for the quality assessment of BPT using ultra-performance liquid [...] Read more.
Bopyeo-tang (BPT), comprising six medicinal plants, has been used for the treatment of respiratory diseases such as pulmonary fibrosis and chronic obstructive pulmonary disease. In this study, we developed and validated a quantitative method for the quality assessment of BPT using ultra-performance liquid chromatography with tandem mass spectrometry (UPLC–MS/MS). Eighteen marker compounds were separated on an Acquity UPLC BEH C18 reversed-phase column (2.1 mm × 100 mm, 1.7 μm) via gradient elution with a 0.1% aqueous formic acid–acetonitrile mobile phase. The multiple-reaction monitoring mode was used to improve analysis speed and accuracy. The coefficients of determination, limits of detection, and limits of quantitation of the 18 marker compounds were 0.9991–0.9996, 0.36–24.45 μg/L, and 1.07–73.35 μg/L, respectively. The recovery was 85.19–110.25%, and the relative standard deviation of precision was ≤9.01%. When applied to a typical BPT sample, the method revealed a range of concentrations from below the quantitative limit (one compound only) to a maximum of 3.20 mg/freeze-dried g. This method will be used for quality control of BPT preparations. Full article
(This article belongs to the Special Issue Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences)
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