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Molecules
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Mass Spectrometry Analysis III
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Mass Spectrometry Analysis III

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

Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 2276

Special Issue Editors

Dr. Jiang Zhou

E-Mail Website
Guest Editor
College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
Interests: mass spectrometry; biomolecular interaction; G-quadruplex; ion mobility; drug metabolism
Prof. Dr. Ruibing Chen

E-Mail Website
Guest Editor
School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, China
Interests: mass spectrometry; proteomics; RNA-protein interaction; cancer biology; signaling transduction
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Mass spectrometry has been widely used in analytical chemistry and bioanalytical chemistry. During the last few decades, many developments have been achieved as relates to various aspects of mass spectrometry, including ionization methods, new principles and technology in mass instrumentation, sample preparation methods, and data analysis algorithms. Such developments push mass spectrometry towards the frontier of various omics studies (e.g., proteomics, metabolomics, lipidomics, and multiomics) and towards the solution of many complex questions in food science, forensic science, environmental science, medical study, health and nutrition science, etc. This Special Issue will focus on mass-spectrometry-based analyses. Suggested topics include, but are not limited to, the following:

  1. New developments in ionization methods;
  2. New principles and technology in mass instrumentation;
  3. Artificial intelligence for mass spectrometry data analyses;
  4. Application of mass spectrometry in environmental and food science;
  5. Mass spectrometry in clinical diagnoses and biomedical studies;
  6. Mass spectrometry in forensic science and testing;
  7. Mass spectrometry imaging;
  8. Mass-spectrometry-based omics.

Dr. Jiang Zhou
Prof. Dr. Ruibing Chen
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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • ambient ionization
  • MS instrumentation
  • MS imaging
  • ion mobility MS
  • proteomics
  • metabolomics
  • lipidomics
  • biomolecular interaction
  • pharmaceutical analysis
  • food analysis
  • environmental analysis
  • clinical diagnosis
  • forensic testing

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Published Papers (1 paper)

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Research

19 pages, 3664 KiB  
Article
An Ultrafast UPLC–MS/MS Method for Characterizing the In Vitro Metabolic Stability of Acalabrutinib
by Mohamed W. Attwa, Ahmed H. Bakheit, Ali S. Abdelhameed and Adnan A. Kadi
Molecules 2023, 28(20), 7220; https://doi.org/10.3390/molecules28207220 - 23 Oct 2023
Cited by 2 | Viewed by 1873
Abstract
Acalabrutinib, commercially known as Calquence®, is a pharmacological molecule that has robust inhibitory activity against Bruton tyrosine kinase. The medicine in question was carefully developed by the esteemed pharmaceutical company AstraZeneca. The FDA granted authorization on 21 November 2019 for the [...] Read more.
Acalabrutinib, commercially known as Calquence®, is a pharmacological molecule that has robust inhibitory activity against Bruton tyrosine kinase. The medicine in question was carefully developed by the esteemed pharmaceutical company AstraZeneca. The FDA granted authorization on 21 November 2019 for the utilization of acalabrutinib (ACB) in the treatment of small lymphocytic lymphoma (SLL) or chronic lymphocytic leukemia (CLL) in adult patients. The aim of this study was to develop a UPLC–MS/MS method that is effective, accurate, environmentally sustainable, and has a high degree of sensitivity. The methodology was specifically developed with the intention of quantifying ACB in human liver microsomes (HLMs). The methodology described above was subsequently utilized to assess the metabolic stability of ACB in HLMs in an in vitro environment. The validation procedures for the UPLC–MS/MS method in the HLMs were conducted in accordance with the bioanalytical method validation criteria established by the U.S.- DA. The utilization of the StarDrop software (version 6.6), which integrates the P450 metabolic module and DEREK software (KB 2018 1.1), was employed for the purpose of evaluating the metabolic stability and identifying potential hazardous alarms associated with the chemical structure of ACB. The calibration curve, as established by the ACB, demonstrated a linear correlation across the concentration range of 1 to 3000 ng/mL in the matrix of HLMs. The present study conducted an assessment of the accuracy and precision of the UPLC–MS/MS method in quantifying inter-day and intra-day fluctuations. The inter-day accuracy demonstrated a spectrum of values ranging from −1.00% to 8.36%, whilst the intra-day accuracy presented a range of values spanning from −2.87% to 4.11%. The t1/2 and intrinsic clearance (Clint) of ACB were determined through in vitro testing to be 20.45 min and 39.65 mL/min/kg, respectively. The analysis concluded that the extraction ratio of ACB demonstrated a moderate level, thus supporting the recommended dosage of ACB (100 mg) to be administered twice daily for the therapeutic treatment of persons suffering from B-cell malignancies. Several computational tools have suggested that introducing minor structural alterations to the butynoyl group, particularly the alpha, beta-unsaturated amide moiety, or substituting this group during the drug design procedure, could potentially enhance the metabolic stability and safety properties of novel derivatives in comparison to ACB. Full article
(This article belongs to the Special Issue Mass Spectrometry Analysis III)
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