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Molecules
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Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis
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Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis

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

Deadline for manuscript submissions: 31 December 2024 | Viewed by 1306

Special Issue Editors

Dr. Małgorzata Dołowy

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Guest Editor
Department of Analytical Chemistry, Faculty of Pharmaceutical Sciences in Sosnowiec, Medical University of Silesia in Katowice, Jagiellońska 4, 41-200 Sosnowiec, Poland
Interests: drug analysis; instrumental methods; liquid chromatography; bioactive compounds; product quality; QSPR; QSAR
Prof. Dr. Josef Jampilek

E-Mail Website
Guest Editor
1. Department of Analytical Chemistry, Faculty of Natural Sciences, Comenius University, Ilkovicova 6, 84215 Bratislava, Slovakia
2. Department of Chemical Biology, Faculty of Science, Palacky University, Olomouc, Slechtitelu 27, 78371 Olomouc, Czech Republic
Interests: medicinal chemistry; drug design; structure–activity relationships; pharmaceutical analysis; polymorphism; drug bioavailability; ADME; nanoparticles; nanoformulations; controlled/targeted delivery
Special Issues, Collections and Topics in MDPI journals
Dr. Katarzyna Bober-Majnusz

E-Mail Website
Guest Editor
Department of Analytical Chemistry, Faculty of Pharmaceutical Sciences in Sosnowiec, Medical University of Silesia in Katowice, Jagiellońska 4, 41-200 Sosnowiec, Poland
Interests: drug analysis; liquid chromatography; densitometry; QSPR; QSAR; chemometrics

Special Issue Information

Dear Colleagues,

It is a pleasure to invite you to submit original articles, communications, and review papers to a Special Issue of Molecules entitled “Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis”. The development of new drugs for various diseases, as well as the production of innovative food products, requires the use of effective analytical methods at different stages, i.e., from the synthesis and confirmation of the identity of biologically active compounds as ingredients of drugs or food to the quality control of finished food and pharmaceutical products. Quality control methods are essential in the pharmaceutical and food industries to ensure patient and consumer safety. The use of chromatographic techniques in combination with other methods such as spectrometry allows for accurate separation/identification/quantification of many bioactive compounds as potential components of drugs and food. The most commonly used methods for the separation and quantification of different drugs and food ingredients in complex mixtures are liquid chromatography, thin-layer chromatography (TLC) and high-performance liquid chromatography (HPLC) in combination with classical detectors such as UV–Vis,  fluorescence and diode array detection or gas chromatography (GC) with flame ionization detection, respectively. However, the advent of modern detection systems in HPLC or GC, respectively, such as mass spectrometry (HPLC-MS) alone or coupled with nuclear magnetic resonance (HPLC-NMR), is more efficient for the detection and complete characterization of the structure of drugs and food components at low concentrations compared to these systems. Therefore, the purpose of this Special Issue is to present new, high-quality research and knowledge concerning the application of chromatographic and spectrometric methods for accurate separation, identification and quantification of various natural and synthetic bioactive compounds as potential drugs and food components. This includes but is not limited to:

  • chromatographic methods (TLC, HPLC, GC) in the analysis of natural and synthetic bioactive components of pharmaceuticals and food;
  • chromatographic techniques in the analysis of new drug substances;
  • spectrometry in the pharmaceutical and food analysis;
  • method development for quality control of food and pharmaceuticals;
  • food safety control;
  • QSPR and QSAR investigations.

Dr. Małgorzata Dołowy
Prof. Dr. Josef Jampilek
Dr. Katarzyna Bober-Majnusz
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

  • pharmaceutical analysis
  • chromatography
  • HPLC
  • TLC
  • GC
  • food quality control
  • bioactive compounds
  • spectrometry
  • QSAR
  • QSPR

Published Papers (2 papers)

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Research

12 pages, 1650 KiB  
Article
Evaluation of Physicochemical Properties of Ipsapirone Derivatives Based on Chromatographic and Chemometric Approaches
by Wiktor Nisterenko, Damian Kułaga, Mateusz Woziński, Yash Raj Singh, Beata Judzińska, Karolina Jagiello, Katarzyna Ewa Greber, Wiesław Sawicki and Krzesimir Ciura
Molecules 2024, 29(8), 1862; https://doi.org/10.3390/molecules29081862 - 19 Apr 2024
Viewed by 312
Abstract
Drug discovery is a challenging process, with many compounds failing to progress due to unmet pharmacokinetic criteria. Lipophilicity is an important physicochemical parameter that affects various pharmacokinetic processes, including absorption, metabolism, and excretion. This study evaluated the lipophilic properties of a library of [...] Read more.
Drug discovery is a challenging process, with many compounds failing to progress due to unmet pharmacokinetic criteria. Lipophilicity is an important physicochemical parameter that affects various pharmacokinetic processes, including absorption, metabolism, and excretion. This study evaluated the lipophilic properties of a library of ipsapirone derivatives that were previously synthesized to affect dopamine and serotonin receptors. Lipophilicity indices were determined using computational and chromatographic approaches. In addition, the affinity to human serum albumin (HSA) and phospholipids was assessed using biomimetic chromatography protocols. Quantitative Structure–Retention Relationship (QSRR) methodologies were used to determine the impact of theoretical descriptors on experimentally determined properties. A multiple linear regression (MLR) model was calculated to identify the most important features, and genetic algorithms (GAs) were used to assist in the selection of features. The resultant models showed commendable predictive accuracy, minimal error, and good concordance correlation coefficient values of 0.876, 0.149, and 0.930 for the validation group, respectively. Full article
(This article belongs to the Special Issue Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis)
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18 pages, 2364 KiB  
Article
Design of Experimental Approach for Development of Rapid High Performance Liquid Chromatographic Process for Simultaneous Estimation of Metoprolol, Telmisartan, and Amlodipine from Formulation: Greenness and Whiteness Evaluation
by Mahesh Attimarad, Mohammed Jassim Alali, Hussain Ali Alali, Dana Hisham Alabdulmuhsin, Aljohara Khalid Alnajdi, Katharigatta Narayanaswamy Venugopala and Anroop B. Nair
Molecules 2024, 29(5), 1087; https://doi.org/10.3390/molecules29051087 - 29 Feb 2024
Viewed by 646
Abstract
The design of an experimental approach, the Box–Behnken design, was implemented to optimize the chromatographic condition to develop a rapid HPLC procedure for quantification of a ternary mixture of metoprolol (MET), telmisartan (TEL), and amlodipine (AML) from the formulation. The perturbation plots, contour, [...] Read more.
The design of an experimental approach, the Box–Behnken design, was implemented to optimize the chromatographic condition to develop a rapid HPLC procedure for quantification of a ternary mixture of metoprolol (MET), telmisartan (TEL), and amlodipine (AML) from the formulation. The perturbation plots, contour, and 3D response surface pictures were developed to study the impact of each variable on the analytes’ retention time and the probable interaction between the parameters with fewer chromatographic runs. The optimized HPLC method separated the three analytes within 5 min with excellent selectivity and peak shape on a Zorbax C18 HPLC column using acetonitrile and phosphate buffer (20 mM, pH 5.8) with isocratic elution at a 1.1 mL/min flowrate. A wavelength 230 nm was utilized to monitor the elute. The validation of proposed method demonstrated a wide linearity range of 10–200 µg/mL for MET and TEL and 5–50 µg/mL for AML along with an excellent correlation coefficient. The correctness of the HPLC approach was further confirmed by excellent recovery of the added amount of analytes utilizing the standard addition technique. The recommended HPLC approach was employed safely for quality assurance of the formulation, because the evaluation of the method’s greenness and whiteness confirmed the environmentally friendly nature of the approach. Full article
(This article belongs to the Special Issue Chromatography and Spectrometry in Food Safety and Pharmaceutical Analysis)
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