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Mass Spectrometry in Life Sciences: A Theme Issue Dedicated to Professor Gérard Hopfgartner

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (31 July 2024) | Viewed by 21142

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Research group of Pharmaco-Toxicological Analysis (PTA Lab), Department of Pharmacy and Biotechnology (FaBiT), Alma Mater Studiorum - University of Bologna, Via Belmeloro 6, 40126 Bologna, Italy
Interests: bioanalysis; liquid chromatography; mass spectrometry; method validation; microsampling; sample treatment; central nervous system drugs; drugs of abuse; doping agents; natural products
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Special Issue Information

Dear Colleagues,

Gérard Hopfgartner studied chemistry at the University of Geneva (Switzerland) and received his Ph.D. degree in 1991 in the field of organic geochemistry and mass spectrometry. From 1991 to 1992, he was postdoctoral fellow with Prof. Jack Henion at Cornell University (Ithaca, NY) and worked in the field of atmospheric pressure ionization LC-MS/MS. After his postdoctoral stay, he joined F. Hoffmann-La Roche in Basel (Switzerland), where he worked for ten years on the application of LC-MS in drug discovery and development by heading the LC-MS group and the bioanalytical section in the DMPK Department. In 2002, he moved to the School of Pharmaceutical Sciences at the University of Geneva and Lausanne (Switzerland) as Full Professor of Analytical Sciences and Mass Spectrometry, working in the field of life sciences for the development and application of novel mass spectrometry approaches with and without separation techniques. At the Department of Inorganic and Analytical Chemistry of the University of Geneva Professor Hopfgartner leads the research group of Life Sciences Mass Spectrometry. His research interests focus on the application and the development of novel hyphenated mass spectrometry approaches in the field of life sciences from elements to proteins, integrating the role of new technologies, workflow, and software for the analysis of molecules of biological interest. The main objective of his studies is to develop innovative analytical tools and solutions, where mass spectrometry plays a central role, which will benefit the detection and understanding of disease, and the discovery and development of appropriate therapeutics. In addition to the application of separation sciences (GC, LC, SFC) combined to mass spectrometry, disruptive approaches based on MALDI or ion mobility for high throughput, multiplexed and innovative analyses of biomarkers, and pharmaceuticals are also among the main fields of investigation of Professor Hopfgartner. His current research efforts include separation sciences, sample preparation, automation, bioanalysis, metabolism, metabolomics, analytical proteomics, toxicology, high-resolution mass spectrometry, ion mobility mass spectrometry, data-independent acquisition techniques (SWATH), MS/MS spectra interpretation, ionization, data analysis, and mass spectrometry imaging.

This Special Issue of Molecules, in honor of Prof. Gérard Hopfgartner, welcomes manuscripts describing original work as well as review articles.

The Guest Editor will be pleased to accept and review manuscripts that address the topics listed below, but not restricted to them.

Dr. Laura Mercolini
Guest Editor

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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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • Mass spectrometry
  • High-resolution mass spectrometry
  • Ion mobility mass spectrometry
  • Mass spectrometry imaging
  • Matrix-assisted laser desorption/ionization mass spectrometry
  • Data independent acquisition mass spectrometry
  • Metabolism
  • Metabolomics
  • Proteomics
  • Lipidomics
  • Analytical toxicology
  • Sample collection
  • Sample preparation
  • Liquid chromatography
  • Supercritical fluid chromatography
  • Bioanalysis
  • Automation

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Published Papers (6 papers)

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Research

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15 pages, 3214 KiB  
Article
Human Mitragynine and 7-Hydroxymitragynine Pharmacokinetics after Single and Multiple Daily Doses of Oral Encapsulated Dried Kratom Leaf Powder
by Marilyn A. Huestis, Martin A. Brett, John Bothmer and Ramsey Atallah
Molecules 2024, 29(5), 984; https://doi.org/10.3390/molecules29050984 - 23 Feb 2024
Cited by 4 | Viewed by 6876
Abstract
Kratom leaves, consumed by millions worldwide as tea or ground leaf powder, contain multiple alkaloids, with mitragynine being the most abundant and responsible for most effects. Mitragynine is a partial µ-opioid receptor agonist and competitive antagonist at κ- and δ-opioid receptors; however, unlike [...] Read more.
Kratom leaves, consumed by millions worldwide as tea or ground leaf powder, contain multiple alkaloids, with mitragynine being the most abundant and responsible for most effects. Mitragynine is a partial µ-opioid receptor agonist and competitive antagonist at κ- and δ-opioid receptors; however, unlike morphine, it does not activate the β-arrestin-2 respiratory depression pathway. Due to few human mitragynine data, the largest randomized, between-subject, double-blind, placebo-controlled, dose-escalation study of 500–4000 mg dried kratom leaf powder (6.65–53.2 mg mitragynine) was conducted. LC-MS/MS mitragynine and 7-hydroxymitragynine plasma concentrations were obtained after single and 15 daily doses. Mitragynine and 7-hydroxymitragynine Cmax increased dose proportionally, and AUC was slightly more than dose proportional. The median mitragynine Tmax was 1.0–1.3 h after single and 1.0–1.7 h after multiple doses; for 7-hydroxymitragynine Tmax, it was 1.2–1.8 h and 1.3–2.0 h. Steady-state mitragynine concentrations were reached in 8–9 days and 7-hydroxymitragynine within 7 days. The highest mean mitragynine T1/2 was 43.4 h after one and 67.9 h after multiple doses, and, for 7-hydroxymitragynine, it was 4.7 and 24.7 h. The mean 7-hydroxy-mitragynine/mitragynine concentration ratios were 0.20–0.31 after a single dose and decreased (0.15–0.21) after multiple doses. These mitragynine and 7-hydroxymitragynine data provide guidance for future clinical kratom dosing studies and an interpretation of clinical and forensic mitragynine and 7-hydroxymitragynine concentrations. Full article
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12 pages, 564 KiB  
Article
A New Heart-Cutting Method for a Multiplex Quantitative Analysis of Steroid Hormones in Plasma Using 2D-LC/MS/MS Technique
by Marcela Kotasova, Ondrej Lacina, Drahomira Springer, Jan Sevcik, Tomas Brutvan, Jana Jezkova and Tomas Zima
Molecules 2023, 28(3), 1379; https://doi.org/10.3390/molecules28031379 - 1 Feb 2023
Cited by 2 | Viewed by 2911
Abstract
The aim of the current research was to develop a simple and rapid mass spectrometry-based assay for the determination of 15 steroid hormones in human plasma in a single run, which would be suitable for a routine practice setting. For this purpose, we [...] Read more.
The aim of the current research was to develop a simple and rapid mass spectrometry-based assay for the determination of 15 steroid hormones in human plasma in a single run, which would be suitable for a routine practice setting. For this purpose, we designed a procedure based on the 2D-liquid chromatography-tandem mass spectrometry with a minimalistic sample pre-treatment. In our arrangement, the preparation of one sample takes only 10 min and can accommodate 40 samples per hour when tested in series. The following analytical run is 18 min long for all steroid hormones. In addition, we developed an independent analytical run for estradiol, significantly increasing the assay accuracy while taking an additional 10 min to perform an analytical run of a sample. The optimized method was applied to a set of human plasma samples, including chylous. Our results indicate the linearity of the method for all steroid hormones with squared regression coefficients R2 ≥ 0.995, within-run and between-run precision (RSD < 6.4%), and an accuracy of 92.9% to 106.2%. The absolute recovery for each analyzed steroid hormone ranged between 101.6% and 116.5%. The method detection limit for 15 steroid hormones ranged between 0.008 nmol/L (2.88 pg/mL) for aldosterone and 0.873 nmol/L (0.252 ng/mL) for DHEA. For all the analytes, the lowest calibration point relative standard deviation was less than 10.8%, indicating a good precision of the assay within the lowest concentration of interest. In conclusion, in this method article, we describe a simple, sensitive, and cost-effective 2D-LC/MS/MS method suitable for the routine analysis of a complex of steroid hormones allowing high analytical specificity and sensitivity despite minimal sample processing and short throughput times. Full article
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10 pages, 1937 KiB  
Article
Volumetric Absorptive Microsampling of Blood for Untargeted Lipidomics
by Camilla Marasca, Maria Encarnacion Blanco Arana, Michele Protti, Andrea Cavalli, Laura Mercolini and Andrea Armirotti
Molecules 2021, 26(2), 262; https://doi.org/10.3390/molecules26020262 - 7 Jan 2021
Cited by 11 | Viewed by 4029
Abstract
In the present, proof-of-concept paper, we explore the potential of one common solid support for blood microsampling (dried blood spot, DBS) and a device (volumetric absorptive microsampling, VAMS) developed for the untargeted lipidomic profiling of human whole blood, performed by high-resolution LC-MS/MS. Dried [...] Read more.
In the present, proof-of-concept paper, we explore the potential of one common solid support for blood microsampling (dried blood spot, DBS) and a device (volumetric absorptive microsampling, VAMS) developed for the untargeted lipidomic profiling of human whole blood, performed by high-resolution LC-MS/MS. Dried blood microsamples obtained by means of DBS and VAMS were extracted with different solvent compositions and compared with fluid blood to evaluate their efficiency in profiling the lipid chemical space in the most broad way. Although more effort is needed to better characterize this approach, our results indicate that VAMS is a viable option for untargeted studies and its use will bring all the corresponding known advantages in the field of lipidomics, such as haematocrit independence. Full article
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Review

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28 pages, 2743 KiB  
Review
Innovative Solid-Phase Extraction Strategies for Improving the Advanced Chromatographic Determination of Drugs in Challenging Biological Samples
by Mohammadreza Mahdavijalal, Carmine Petio, Giovanni Staffilano, Roberto Mandrioli and Michele Protti
Molecules 2024, 29(10), 2278; https://doi.org/10.3390/molecules29102278 - 12 May 2024
Cited by 3 | Viewed by 1565
Abstract
In the past few decades, considerable scientific strides have been made in the subject of drug analysis in human biological samples. However, the risk caused by incorrect drug plasma levels in patients still remains an important concern. This review paper attempts to investigate [...] Read more.
In the past few decades, considerable scientific strides have been made in the subject of drug analysis in human biological samples. However, the risk caused by incorrect drug plasma levels in patients still remains an important concern. This review paper attempts to investigate the advances made over the last ten years in common sample preparation techniques (SPT) for biological samples based on solid sorbents, including solid-phase extraction (SPE) and solid-phase micro-extraction (SPME), and in particular in the field of molecularly imprinted polymers (MIPs), including non-stimuli-responsive and stimuli-responsive adsorbents. This class of materials is known as ‘smart adsorbents’, exhibiting tailored responses to various stimuli such as magnetic fields, pH, temperature, and light. Details are provided on how these advanced SPT are changing the landscape of modern drug analysis in their coupling with liquid chromatography-mass spectrometry (LC-MS) analytical techniques, a general term that includes high-performance liquid chromatography (HPLC) and ultra-high performance liquid chromatography (UHPLC), as well as any variation of MS, such as tandem (MS/MS), multiple-stage (MSn), and high-resolution (HRMS) mass spectrometry. Some notes are also provided on coupling with less-performing techniques, such as high-performance liquid chromatography with ultraviolet (HPLC-UV) and diode array detection (HPLC-DAD) detection. Finally, we provide a general review of the difficulties and benefits of the proposed approaches and the future prospects of this research area. Full article
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12 pages, 267 KiB  
Review
LC-MS/MS Application in Pharmacotoxicological Field: Current State and New Applications
by Cristian D’Ovidio, Marcello Locatelli, Miryam Perrucci, Luigi Ciriolo, Kenneth G. Furton, Isil Gazioglu, Abuzar Kabir, Giuseppe Maria Merone, Ugo de Grazia, Imran Ali, Antonio Maria Catena, Michele Treglia, Luigi T. Marsella and Fabio Savini
Molecules 2023, 28(5), 2127; https://doi.org/10.3390/molecules28052127 - 24 Feb 2023
Cited by 13 | Viewed by 3880
Abstract
Nowadays, it is vital to have new, complete, and rapid methods to screen and follow pharmacotoxicological and forensic cases. In this context, an important role is undoubtedly played by liquid chromatography-tandem mass spectrometry (LC-MS/MS) thanks to its advanced features. This instrument configuration can [...] Read more.
Nowadays, it is vital to have new, complete, and rapid methods to screen and follow pharmacotoxicological and forensic cases. In this context, an important role is undoubtedly played by liquid chromatography-tandem mass spectrometry (LC-MS/MS) thanks to its advanced features. This instrument configuration can offer comprehensive and complete analysis and is a very potent analytical tool in the hands of analysts for the correct identification and quantification of analytes. The present review paper discusses the applications of LC-MS/MS in pharmacotoxicological cases because it is impossible to ignore the importance of this powerful instrument for the rapid development of pharmacological and forensic advanced research in recent years. On one hand, pharmacology is fundamental for drug monitoring and helping people to find the so-called “personal therapy” or “personalized therapy”. On the other hand, toxicological and forensic LC-MS/MS represents the most critical instrument configuration applied to the screening and research of drugs and illicit drugs, giving critical support to law enforcement. Often the two areas are stackable, and for this reason, many methods include analytes attributable to both fields of application. In this manuscript, drugs and illicit drugs were divided in separate sections, with particular attention paid in the first section to therapeutic drug monitoring (TDM) and clinical approaches with a focus on central nervous system (CNS). The second section is focused on the methods developed in recent years for the determination of illicit drugs, often in combination with CNS drugs. All references considered herein cover the last 3 years, except for some specific and peculiar applications for which some more dated but still recent articles have been considered. Full article
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Other

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7 pages, 843 KiB  
Brief Report
Prevalence of Drugs of Abuse and Cognitive Enhancer Consumption Monitored in Grab Samples and Composite Wastewater via Orbitrap Mass Spectrometry Analysis
by Fabian Frankenfeld, Lea Wagmann, Cathy M. Jacobs and Markus R. Meyer
Molecules 2024, 29(16), 3870; https://doi.org/10.3390/molecules29163870 - 15 Aug 2024
Viewed by 435
Abstract
Wastewater (WW)-based epidemiology is an approach for the objective surveillance of the consumption of (illicit) drugs in populations. The aims of this study were to monitor drugs of abuse, cognitive enhancers, and their metabolites as biomarkers in influent WW. Data obtained from different [...] Read more.
Wastewater (WW)-based epidemiology is an approach for the objective surveillance of the consumption of (illicit) drugs in populations. The aims of this study were to monitor drugs of abuse, cognitive enhancers, and their metabolites as biomarkers in influent WW. Data obtained from different sampling points and mean daily loads were compared with previously published data. The prevalence of analytes was monitored in WW grab samples collected monthly over 22 months at two sampling points and 24 h composite WW samples collected over 2 weeks at a WW treatment plant in the same city. Quantification was performed using a previously validated and published method based on solid-phase extraction followed by liquid chromatography coupled with high-resolution tandem mass spectrometry. Grab samples allowed for frequent detection of ritalinic acid and sporadic detection of drugs of abuse. The daily mean loads calculated for 24 h WW composite samples were in accordance with data published in an international study. Furthermore, loads of amphetamine and methamphetamine increased compared with those observed in a previously published study from 2014. This study showed frequent quantification of ritalinic acid in the grab samples, while drugs of abuse were commonly quantified in the composite WW samples. Daily mean loads were in accordance with trends reported for Germany. Full article
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