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Applied Analytical Chemistry: Second Edition
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Applied Analytical Chemistry: Second Edition

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

Deadline for manuscript submissions: 31 May 2025 | Viewed by 11531

Special Issue Editor

Dr. Petr Bednar

E-Mail Website
Guest Editor
Dept Analyt Chem, Reg Ctr Adv Technol & Mat, Fac Sci, Palacky University, 17 Listopadu 12, 77146 Olomouc, Czech Republic
Interests: analytical chemistry; liquid chromatography; hyphenation of separation techniques (LC, CE) with mass spectrometry; natural compounds analysis; study of metabolism; analysis of archaeological samples; chiral separation; desorption/ionization mass spectrometry; ion mobility mass spectrometry; study of equilibrium reactions using retention and migration data
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Analytical Chemistry as a scientific field is a good example of the connection of fundamental research in chemical, physical, and biological branches to demands of practice. The mutual stimulation of fundamental and applied research makes analytical chemistry a dynamically developing area. The current high level of mechanical engineering and microelectronics is accelerating advancements in instrumental analytical techniques. Approaches to analytical data processing are being improved under the dictation of their increasing volume and with the possibilities of dramatically developing informatics. The optimization and validation of analytical procedures are becoming quicker and automated. However, sophisticated instrumentation, although supported by artificial intelligence, is not self-saving. Experience and thorough knowledge of possibilities and risks throughout the whole analytical procedure from the design of the experiment to the sampling, sample treatment, and analysis and data processing remain essential for successful research to be achieved. The integration of the entire analytical process and its transfer into practice is the subject of applied analytical chemistry.

This Special Issue aims to cover recent progress and trends in applied analytical chemistry. Papers focused on novel sampling and sample treatment procedures and the utilization of up-to-date techniques and methods in analytical practice are welcome to be submitted. Moreover, progressive approaches in the design of experiments and data processing proven in real situations fit within the scope of this Special Issue. Emphasis should be placed on the integrity of the whole analytical process. This Special Issue is open to all types of analytical techniques and the application of their (synergistic) combinations, with particular focus on the following, but not limited to, areas:

  • Food production;
  • Forensic practice and archaeology;
  • Environmental monitoring;
  • Clinical practice;
  • Quality control in industry;
  • Analysis of plant material.

Dr. Petr Bednar
Guest Editor

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

  • food production
  • forensic practice and archaeology
  • environmental monitoring
  • clinical practice
  • quality control in industry
  • analysis of plant material

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Related Special Issue

Published Papers (7 papers)

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Research

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22 pages, 12118 KiB  
Article
Modern Comprehensive Metabolomic Profiling of Pollen Using Various Analytical Techniques
by Petra Krejčí, Zbyněk Žingor, Jana Balarynová, Andrea Čevelová, Matěj Tesárek, Petr Smýkal and Petr Bednář
Molecules 2025, 30(5), 1172; https://doi.org/10.3390/molecules30051172 - 5 Mar 2025
Viewed by 564
Abstract
Pollen is a cornerstone of life for plants. Its durability, adaptability, and complex design are the key factors to successful plant reproduction, genetic diversity, and the maintenance of ecosystems. A detailed study of its chemical composition is important to understand the mechanism of [...] Read more.
Pollen is a cornerstone of life for plants. Its durability, adaptability, and complex design are the key factors to successful plant reproduction, genetic diversity, and the maintenance of ecosystems. A detailed study of its chemical composition is important to understand the mechanism of pollen–pollinator interactions, pollination processes, and allergic reactions. In this study, a multimodal approach involving Fourier transform infrared spectrometry (FTIR), direct mass spectrometry with an atmospheric solids analysis probe (ASAP), matrix-assisted laser desorption/ionization (MALDI) and ultra-high-performance liquid chromatography–mass spectrometry (UHPLC-MS) was applied for metabolite profiling. ATR-FTIR provided an initial overview of the present metabolite classes. Phenylpropanoid, lipidic, and carbohydrate structures were revealed. The hydrophobic outer layer of pollen was characterized in detail by ASAP-MS profiling, and esters, phytosterols, and terpenoids were observed. Diacyl- and triacylglycerols and carbohydrate structures were identified in MALDI-MS spectra. The MALDI-MS imaging of lipids proved to be helpful during the microscopic characterization of pollen species in their mixture. Polyphenol profiling and the quantification of important secondary metabolites were performed by UHPLC-MS in context with pollen coloration and their antioxidant and antimicrobial properties. The obtained results revealed significant chemical differences among Magnoliophyta and Pinophyta pollen. Additionally, some variations within Magnoliophyta species were observed. The obtained metabolomics data were utilized for pollen differentiation at the taxonomic scale and provided valuable information in relation to pollen interactions during reproduction and its related applications. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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19 pages, 5735 KiB  
Article
AQbD-Based UPLC-ELSD Method for Quantifying Medium Chain Triglycerides in Labrafac™ WL 1349 for Nanoemulsion Applications
by Alessio Gaggero, Viktoria Marko, Dalibor Jeremic, Carolin Tetyczka, Philippe Caisse and Jesús Alberto Afonso Urich
Molecules 2025, 30(3), 486; https://doi.org/10.3390/molecules30030486 - 22 Jan 2025
Viewed by 1185
Abstract
In response to recent regulatory guidelines, including ICH (International Council for Harmonisation) Q2 (R2) and Q14, we developed a UPLC-ELSD method to quantify Medium-Chain Triglycerides (MCTs) in Labrafac™ WL 1349 for nanoemulsion applications. This procedure, crafted using Analytical Quality by Design (AQbD) principles, [...] Read more.
In response to recent regulatory guidelines, including ICH (International Council for Harmonisation) Q2 (R2) and Q14, we developed a UPLC-ELSD method to quantify Medium-Chain Triglycerides (MCTs) in Labrafac™ WL 1349 for nanoemulsion applications. This procedure, crafted using Analytical Quality by Design (AQbD) principles, addresses not only the validation of the methodology but also the lifecycle management challenges associated with the analysis of lipid-based excipients. Key parameters such as mobile phase composition, organic modifier, column type, flow rate, diluent, and column temperature were optimized to meet regulatory standards and ensure robustness in MCT quantification. Optimal conditions were achieved with a Waters Acquity HSS T3 (100 × 2.1 mm i.d., 1.8 μm) column at 33 °C, using a mixture of methanol (97.5%) and water (2.5%) containing 0.4% of formic acid at a flow rate of 0.41 mL/min. The method demonstrated an excellent fit on a cubic modelization for MCTs over a broad range of concentrations. Forced degradation studies, including hydrolytic (acidic and basic), oxidative, and thermal stress, confirmed the method’s suitability for possible stability scenarios. This validated UPLC method was successfully applied to quantitative analyses of bulk and formulation prototype samples containing MCTs. This AQbD-driven method enhances not only knowledge but also regulatory-compliant and cost-effective excipient control. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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12 pages, 477 KiB  
Article
The Presence of Some Minor Aspergillus and Penicillium Unregulated Mycotoxins in Main Cereals Cultivated in Albania
by Dritan Topi, Zamir Damani, Janja Babič, Breda Jakovac-Strajn and Gabrijela Tavčar-Kalcher
Molecules 2024, 29(22), 5292; https://doi.org/10.3390/molecules29225292 - 9 Nov 2024
Viewed by 1070
Abstract
(1) Background: Food and feed safety legislation does not concern all the mycotoxins generated by Penicillium and Aspergillus spp. Certain mycotoxins, including mycophenolic acid (MPA), cyclopiazonic acid (CPA), penicillic acid (PA), roquefortine C (ROQ C), and gliotoxin (GLI), are regarded as having lower [...] Read more.
(1) Background: Food and feed safety legislation does not concern all the mycotoxins generated by Penicillium and Aspergillus spp. Certain mycotoxins, including mycophenolic acid (MPA), cyclopiazonic acid (CPA), penicillic acid (PA), roquefortine C (ROQ C), and gliotoxin (GLI), are regarded as having lower toxicity levels, and hence are not included in food and feed legislation. It is obvious that xenobiotics, including mycotoxins, exert synergistic harmful health effects on human and animal when exposed through food and feed. (2) Methods: The presence of these substances in maize and wheat grown in Albania across two consecutive harvesting seasons was investigated by liquid chromatography and mass spectrometry (LC-MS/MS). (3) Results: The findings indicated the presence of these mycotoxins in maize grain but not in wheat grain. In the 2014 season, they exhibited a higher contamination incidence than in the 2015 season. The most commonly detected mycotoxin was MPA, followed by CPA and ROQ C toxin, while PA and GLI were not detected. The MPA revealed a concentration range of 72.9–3447 μg/kg, with a mean value of 1064 μg/kg. Mycophenolic acid was detected in the maize samples collected during the 2015 season. (4) Conclusions: These findings suggest that focusing the investigation only on “controlled” mycotoxins will not produce a proper risk assessment and may not adequately address the possible harmful impacts of mycotoxins on human and animal health due to mycotoxins’ co-occurrence. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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14 pages, 1868 KiB  
Article
Investigating Flavonoids by HPTLC Analysis Using Aluminium Chloride as Derivatization Reagent
by Sharmin Sultana, Md Lokman Hossain, Tom Sostaric, Lee Yong Lim, Kevin J. Foster and Cornelia Locher
Molecules 2024, 29(21), 5161; https://doi.org/10.3390/molecules29215161 - 31 Oct 2024
Cited by 1 | Viewed by 2840
Abstract
This is the first study to report on high performance thin layer chromatography (HPTLC) generated spectrophotometric data to systematically capture flavonoid compounds using optimized derivatization with either AlCl3 or NaNO2-AlCl3-NaOH as visualisation reagents. While the traditional AlCl3 [...] Read more.
This is the first study to report on high performance thin layer chromatography (HPTLC) generated spectrophotometric data to systematically capture flavonoid compounds using optimized derivatization with either AlCl3 or NaNO2-AlCl3-NaOH as visualisation reagents. While the traditional AlCl3 colorimetric method using UV–Vis analysis provides valuable insights into the presence of flavonoids and allows derivation of the total flavonoid content (TFC) of a sample, HPTLC fingerprints obtained after spraying with AlCl3 or NaNO2-AlCl3-NaOH enable the visualization of the various flavonoids present in a sample based on their respective absorption shifts, thus complementing the traditional TFC assay. In this study, 40 different flavonoids representing different classes (flavonols, flavanolols, flavan-3-ol, flavones, flavanones, and isoflavonoids) were analysed. Upon derivatization with AlCl3 most of the investigated flavonoids recorded bathochromic shifts, yielding characteristic λmax values between 370 and 420 nm, while spraying with NaNO2-AlCl3-NaOH triggered hyperchromic shifts, and thus an increase in absorbance intensity in flavonoids with particular substitution patterns. A few non-flavonoid components with structural similarities to flavonoids (e.g., rosmarinic acid, gallic acid, aspirin, salicylic acid) served as the negative control in this study to determine whether the derivatization reagents allowed exclusive detection of flavonoids. The method was then applied to the analysis of flavonoid containing supplements as well as red clover honey to demonstrate the method’s application in the analysis of natural products. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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17 pages, 2426 KiB  
Article
Regulatory Effects of Chlormequat Chloride on the Yield and Chemical Composition of Angelica sinensis Radix
by Honghan Qin, Juan Xu, Xiaojun Ma, Rongchang Wei and Zuliang Luo
Molecules 2024, 29(19), 4725; https://doi.org/10.3390/molecules29194725 - 6 Oct 2024
Viewed by 1167
Abstract
Chlormequat chloride (CCC), as a commonly used plant growth regulator in the production of rhizomatous medicinal herbs, can effectively control the bolting phenomenon in Angelica sinensis, significantly increasing the yield of underground rhizomes (medicinal part). However, its specific effects on the intrinsic [...] Read more.
Chlormequat chloride (CCC), as a commonly used plant growth regulator in the production of rhizomatous medicinal herbs, can effectively control the bolting phenomenon in Angelica sinensis, significantly increasing the yield of underground rhizomes (medicinal part). However, its specific effects on the intrinsic quality of Angelica sinensis, especially medicinal components, require further investigation. The objective of this study is to conduct a thorough examination of CCC residue and its influence on the yield and medicinal components of Angelica sinensis. By spraying different concentrations of CCC on Angelica sinensis, we systematically monitored the final yield of Angelica sinensis Radix (ASR) in each treatment group and the residual concentration of CCC in ASR. Using UPLC-QTOF-MS technology, we conducted an in-depth analysis of the metabolic profile of ASR. Subsequently, UFLC-MS/MS was employed to accurately quantify the changes in the content of nine key active components in ASR. The results of this study indicate that the application of CCC significantly improves the yield of ASR, with the best effect observed at 0.1 g/L, resulting in a yield increase of 24.8%. Meanwhile, the residual amount of CCC in ASR is positively correlated with the application concentration, with the residual levels as high as 7.12 mg/kg in the high-concentration treatment group. Metabolomic analysis preliminarily identified 21 chemical components in ASR, including four organic acids and 13 phthalides. It is worth noting that the quantitative analysis results indicate significant changes in active components such as butylphthalide, Z-ligustilide, and ferulic acid after the application of CCC. Specifically, high-concentration CCC significantly increased the content of butylphthalide and levistolide A, while low-concentration CCC significantly promoted the accumulation of coniferyl ferulate and senkyunolide A, accompanied by a significant decrease in Z-ligustilide and ferulic acidy. In conclusion, while CCC use can increase yield, the associated increase in residues and imbalanced composition ratios may threaten the quality and safety of ASR. Therefore, it is crucial to control the amount of CCC used rationally to balance yield enhancement and quality assurance. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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Review

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19 pages, 1796 KiB  
Review
Advances in Virus Detection Techniques Based on Recombinant Polymerase Amplification
by Shiwen Wu, Wenhan Yu, Xianshu Fu, Xiaoping Yu, Zihong Ye, Mingzhou Zhang, Yulou Qiu and Biao Ma
Molecules 2024, 29(20), 4972; https://doi.org/10.3390/molecules29204972 - 21 Oct 2024
Cited by 1 | Viewed by 2521
Abstract
Recombinase polymerase amplification (RPA) has emerged as a rapid, efficient, and highly sensitive method for nucleic acid amplification, thus becoming a focal point of research in the field of virus detection. This paper provides an overview of RPA, emphasizing its unique double-stranded DNA [...] Read more.
Recombinase polymerase amplification (RPA) has emerged as a rapid, efficient, and highly sensitive method for nucleic acid amplification, thus becoming a focal point of research in the field of virus detection. This paper provides an overview of RPA, emphasizing its unique double-stranded DNA synthesis mechanism, rapid amplification efficiency, and capability to operate at room temperature, among other advantages. In addition, strategies and case studies of RPA in combination with other technologies are detailed to explore the advantages and potential of these integrated approaches for virus detection. Finally, the development prospect of RPA technology is prospected. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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31 pages, 7846 KiB  
Review
Perspectives in Aptasensor-Based Portable Detection for Biotoxins
by Congying Li, Ziyuan Zhu, Jiahong Yao, Zhe Chen and Yishun Huang
Molecules 2024, 29(20), 4891; https://doi.org/10.3390/molecules29204891 - 15 Oct 2024
Cited by 2 | Viewed by 1632
Abstract
Biotoxins are pervasive in food and the environment, posing significant risk to human health. The most effective strategy to mitigate the risk arising from biotoxin exposure is through their specific and sensitive detection. Aptasensors have emerged as pivotal tools, leveraging aptamers as biorecognition [...] Read more.
Biotoxins are pervasive in food and the environment, posing significant risk to human health. The most effective strategy to mitigate the risk arising from biotoxin exposure is through their specific and sensitive detection. Aptasensors have emerged as pivotal tools, leveraging aptamers as biorecognition elements to transduce the specificity of aptamer-target interactions into quantifiable signals for analytical applications, thereby facilitating the meticulous detection of biotoxins. When integrated with readily portable devices such as lateral flow assays (LFAs), personal glucose meters (PGMs), smartphones, and various meters measuring parameters like pH and pressure, aptasensors have significantly advanced the field of biotoxin monitoring. These commercially available devices enable precise, in situ, and real-time analysis, offering great potential for portable biotoxin detection in food and environmental matrices. This review highlights the recent progress in biotoxin monitoring using portable aptasensors, discussing both their potential applications and the challenges encountered. By addressing these impediments, we anticipate that a portable aptasensor-based detection system will open new avenues in biotoxin monitoring in the future. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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