Volume: 13

Issue: 53

Contents:

This issue of BrJAC includes an Editorial by Prof. Pedro V. Oliveira (IQ-USP); an Interview with Prof. Renato Zanella (UFSM); a Point of View by Prof. Hugo M. Santos (NOVA University Lisbon); a Letter by Prof. Elcio C. de Oliveira et al. (PUC-Rio); and one Review and four Research Articles. Readers will also find a feature on the 49th RASBQ, sponsor reports and releases, book notices, and a calendar of events.

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Editorial

 

Analytical Chemistry: Innovation, Reliability, and Impact

Prof. Pedro Vitoriano Oliveira
Full Professor at the Institute of Chemistry, University of São Paulo, SP, Brazil

“Analytical chemistry plays a fundamental role in contemporary science by transforming chemical phenomena into reliable information that supports decision-making. Its contribution extends beyond the laboratory, reaching strategic areas such as healthcare, pharmaceutical industry, environmental science, agriculture, and as support for technological development.”

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Interview

 

Professor Renato Zanella kindly granted an interview to BrJAC

Prof. Renato Zanella
Full Professor at the Department of Chemistry, Federal University of Santa Maria, RS, Brazil

“I consider chemistry a career that offers many possibilities for those who have a solid education and specialize in their field of interest. It is a very broad field that allows you to work in attractive areas and achieve professional fulfillment. Opportunities arise for those who are well prepared.”

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Point of View

 

The Proteome is the Prescription: From Static Stratification to Longitudinal Precision Therapeutics

Prof. Hugo M. Santos
Assistant Researcher at NOVA School of Science and Technology, NOVA University Lisbon, Portugal

“I argue that quantitative proteomics, enabled by advances in data-independent acquisition (DIA), dia-PASEF on trapped ion mobility instruments, and high-resolution Astral platforms, is positioned to become a dynamic functional layer within precision therapeutics, complementing rather than replacing genomics. I propose the Proteomic Pathway Response Index (PPRI), a patient-referenced metric summarizing serial proteomic change relative to a prespecified therapeutic target state and intended to report downstream pathway response rather than target occupancy or clinical benefit.”

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Letter

 

Assessment of Performance and Uncertainty in Qualitative Analytical Chemistry: A Metrological Approach based on the Eurachem/CITAC Guide

Ariadne M. S. Rocha¹, Felipe R. Lourenço², Elcio Cruz de Oliveira¹
¹Pontifical Catholic University of Rio de Janeiro, RJ, Brazil
²School of Pharmaceutical Sciences, University of São Paulo, SP, Brazil

“While the aim of "Quantifying Uncertainty in Analytical Measurement" is to provide a standardized framework and methodology for estimating and expressing uncertainty in quantitative analytical measurements, the Eurachem/CITAC guide for qualitative analysis expands the concept of uncertainty to categorical decisions, allowing qualitative analyses to be evaluated with the same metrological and statistical rigor. Published in 2021, the Eurachem/CITAC Guide on Assessment of Performance and Uncertainty in Qualitative Chemical Analysis is considered as a key methodological reference for assessing the reliability of qualitative outcomes...”

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Articles

Review: HPLC-Based Analytical Methods for the Determination of Mycotoxin Contaminants in Medicinal Plants: A Scoping Review

Gelinsk, M. A.; Trindade, G. A. M.; Fanhani, F. C.; Lazo, R. E. L.; Bertol, G.; Pontarolo, R.; Ferreira, L. M.

Mycotoxins are toxic substances produced by fungi and can occur in medicinal plants. Among them are aflatoxins, ochratoxins, fumonisins, zearalenone, and deoxynivalenol, which can be quantified by HPLC analysis. The objective of this scoping review was to evaluate HPLC-based analytical methods using fluorescence detection and diode-array detection (HPLC-FLD and HPLC-DAD) for the quantification of mycotoxins in medicinal plants. The study was conducted in accordance with the Joanna Briggs Institute recommendations. 3,939 articles were identified, of which 30 were selected for review. Among the selected papers, 27.6% were published in China, where the use of medicinal plants is common due to Traditional Chinese Medicine. Of the 30 articles, 23 investigated aflatoxins, a group of mycotoxins with the highest health risk. Furthermore, 60% of the publications mention the development of an analytical method for only a single group of mycotoxins, highlighting the difficulty of developing multi-mycotoxin methods with the detector used. Of the articles included in the scoping review, 90% involve solvent extraction followed by immunoaffinity columns. Mobile phases consist mostly of a composition of water, methanol, and acetonitrile in varying proportions. Half of the articles reported performing analytical method validation, with the main parameters evaluated being limit of detection, limit of quantification, precision, and linearity.

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Article: Study of Extractables in High-Density Polyethylene Packaging: Evaluation of the Impact of Excipients Propylene Glycol, Mint Flavor, and Benzalkonium Chloride on the Leaching Process of Semi-volatile Additives

da Cunha, V. M. G.; de Medeiros, L. D.; Pugliesi, F.; de Oliveira, B.; Sussulini, A.

The study of extractables and leachables has become increasingly important in the pharmaceutical industry, with growing concerns about minimizing impurity risks in final products. Polymeric materials are widely used in pharmaceutical packaging due to their many advantages, but they can also introduce impurities. These materials often contain low molecular mass additives that may migrate into the product during storage and shelf life. This issue is particularly critical in liquid pharmaceutical formulations, which are more prone to interactions with packaging materials. In this context, the present work evaluates the extractive potential of selected excipients - benzalkonium chloride, propylene glycol, and mint flavor - in aqueous formulations stored in high-density polyethylene (HDPE) containers. The main goal is to compare the physicochemical properties of these excipients in the formulation with the additives extracted from the packaging. In summary, benzalkonium chloride (the excipient with the highest log P value) demonstrated the greatest extraction power, through the extraction of 7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione, palmitic acid, and stearic acid. The mint aroma and propylene glycol contributed only to the extraction of 7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione (the additive with the lowest log P value). Therefore, the novelty of this study lies in its empirical approach to correlating the physicochemical parameters of excipients with leachables, providing a predictive framework for leaching behavior in the pharmaceutical industry.

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Article: Development of an Electrochemical Sensor for the Treatment of Scaling in the Presence of Herniaria hirsuta

Tahiri, Y.; Haddouchy, H.; Oukbab, M.; El Qouatli, S. E.; Najih, R.; Chtaini, A.

The formation of calcium carbonate (CaCO3) scale presents a significant challenge in various industrial systems, impairing efficiency and increasing maintenance costs. In pursuit of environmentally friendly solutions, this study investigates the chelating potential of Herniaria hirsuta extract a plant known for its rich phytochemical profile against Ca²⁺ ions, using an electrochemical approach. A natural phosphate-modified carbon paste electrode (NPM-CPE) was developed and characterized via cyclic voltammetry (CV), square wave voltammetry (SWV), and electrochemical impedance spectroscopy (EIS). The NPM-CPE sensor demonstrated enhanced electrochemical performance and clear detection of Ca²⁺ ions through defined redox peaks. Upon introduction of the Herniaria hirsuta extract, these signals were significantly attenuated, indicating effective complexation and chelation of calcium ions. The EIS results further confirmed this interaction by showing increased electron transfer resistance in the presence of the plant extract. These findings highlight the potential of Herniaria hirsuta as a green, cost-effective agent for scale prevention and underscore the synergy between natural resources and electrochemical sensing technologies for sustainable industrial applications.

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Article: Comprehensive Extraction Optimization and LC-MS Validation for Detection of Illicit and Prescription Opioids in Human Urine

Ndikumana, E.; Pandey, A.; Dixit, A.; Soni, A.; Mahankar, N.

The misuse of opioids, including fentanyl, methadone, and heroin, has increased the demand for reliable and economical toxicological screening techniques. In resource-limited forensic settings, conventional approaches, such as enzymatic hydrolysis combined with tandem mass spectrometry (MS/MS), are often impractical. This study aimed to develop, optimize, and validate a reliable liquid chromatography-mass spectrometry (LC-MS) method for the quantification of eight opioids in urine using a single-quadrupole mass spectrometer. Three sample preparation strategies were comparatively evaluated: enzymatic hydrolysis followed by solid-phase extraction (SPE), liquid–liquid extraction (LLE), and passive chemical hydrolysis followed by SPE. Analyte stability (up to 96 h), carryover, matrix effect (ME), linearity, precision, and accuracy were assessed during method validation in accordance with the guidelines of the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH). The most consistent recovery (RE) was obtained with passive chemical hydrolysis followed by SPE at 54 °C for 6 h, with RE values ranging from 82.0 ± 2.1% to 114.4 ± 3.0%, whereas heroin showed a slightly lower RE (78.0 ± 3.4%) because of partial hydrolysis to 6-monoacetylmorphine and morphine. The method demonstrated excellent linearity, with the coefficient of determination (R2) ranging from 0.991 to 0.998, good precision, expressed as relative standard deviation (%RSD) ≤ 16.8%, and acceptable bias (-13.0% to 18.0%). All analytes exhibited ME values within 80–120%, indicating negligible ion suppression or enhancement. The applicability of the method to real-world samples was confirmed in urine casework: one sample tested positive for tramadol, whereas two were negative, supporting the method’s forensic and clinical utility. Overall, the optimized single-quadrupole LC-MS method provides a reliable, cost-effective, and selective alternative for urinary opioid analysis, suitable for routine use in low-resource laboratories owing to its enzyme-free extraction and reliance on a single-quadrupole mass spectrometer.

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Article: Integration of EDXRF and Chemometrics as a Fast and Green Alternative for Determining the Cation Exchange Capacity of Cerrado Soils Treated with Swine Manure

Barros, A. I.; da Silva, L. V. A.; Babos, D. V.; da Silva, J. B.; Soares, M. R. S.; Weber, O. L. S.

Studies have shown that organic fertilizers derived from liquid swine waste (LSW) can improve several soil chemical properties, including cation exchange capacity (CEC). The determination of CEC is traditionally carried out using chemical methods based on cation extraction, followed by quantification through titrimetry, flame atomic absorption spectrometry (FAAS), or flame photometry. As an alternative to these classical methods, the present study aimed to evaluate energy-dispersive X-ray fluorescence (EDXRF) combined with chemometrics for the determination of CEC. For this purpose, multiple linear regression (MLR) was employed as the multivariate calibration method. The calibration model was built using X-ray intensities obtained by EDXRF and the CEC values determined by the chemical reference method (CEC at pH 7.0). The CEC values determined by the reference method ranged from 4.92 to 10.71 cmolc kg⁻¹. EDXRF analyses indicated a predominance of SiO₂ and Al₂O₃, reflecting the mineralogy of Cerrado soils, which are characterized by intense weathering and the presence of silicate and metal oxide minerals. The developed MLR model showed an adjusted R² of 0.97, indicating a strong correlation between the CEC values obtained by the reference method and those predicted by the model. The root mean square error (RMSE) of 0.40 cmolc kg⁻¹, approximately ten times lower than the lowest CEC value assessed, and the ratio of performance to deviation (RPD) of 5.97 demonstrate the high accuracy of the model. The characteristics of EDXRF, a rapid, non-destructive technique suitable for the analysis of solid samples, combined with MLR proved to be an efficient and environmentally friendly analytical strategy for determining CEC in Cerrado soils amended with LSW under different crops and application periods, in accordance with the principles of green chemistry.

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In Memoriam

Ramon M. Barnes (24.04.1940–06.07.2026)

To remember Prof. Barnes is to remember energy—inexhaustible energy to create and keep knowledge flowing and to help people learn and develop. His exceptional commitment to analytical chemistry was outstanding, reflecting a lifelong dedication to spectrochemical analysis, particularly plasma spectrochemistry. As he said in an interview with The Analytical Scientist in 2021: “I look at my career as one of public service – be it academic, industrial, or educational.”

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Feature

Chemistry for National Sovereignty: 49th RASBQ Reaffirms the Strategic Role of Brazilian Science

From June 15 to 18, 2026, the city of Campinas hosted the 49th Annual Meeting of the Brazilian Chemical Society (49th RASBQ). Throughout the program, national sovereignty was addressed from different perspectives, highlighting the importance of scientific research, technological innovation, human resource development, and public policies capable of strengthening national autonomy in strategic areas.

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Sponsor Technical Applications and Instrumentation Updates

The content in this section is the sole responsibility of the sponsors

Sponsor Reports

Comprehensive non-targeted workflow for confident identification of perfluoroalkyl substances (PFAS)

Richard Cochran¹, Ralf Tautenhahn¹, Sarah Choyke², Collin Meyers²

¹Thermo Fisher Scientific, ²Eurofins Environment Testing

Goal: To demonstrate a comprehensive workflow for non-targeted PFAS analysis that combines HRAM sample analysis with the Thermo Scientific™ Orbitrap Exploris™ 240 mass spectrometer and powerful automated data analysis and visualization using Compound Discoverer 3.4 software.

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Screening of PFAS compounds in wastewater using adsorbable organic fluorine with combustion ion chromatography (CIC). Results from U.S. EPA draft Method 1621 Collaboration Study

Terri Christison and Neil Rumachik, Thermo Fisher Scientific

The draft EPA Method 1621 has completed a single laboratory review and a round-robin collaborative study and was issued as an official method in the 90-day review and promulgation stage at the time of publication of this document. In this application note, our results from the collaboration study are presented alongside practical advice that supports successful analyses.

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Optimizing extraction of solids for PFAS - EPA 1633 analytes

Milestone

This application report demonstrates how using the Milestone ETHOS X platform with the XTR rotor simplifies sample preparation for extracting target PFAS compounds from soils, sediments and biosolids helps environmental laboratories address efficiency, regulatory, economic and quality challenges.

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Sponsor Releases

Orbitrap Exploris 240 Mass Spectrometer

Thermo Scientific

Maximize performance and flexibility to expand your experimental capabilities, allowing you to discover more, see more, quantify more, and deliver more confidence and greater insights with even more productivity. With operational simplicity through intelligent data acquisition and processing, discover your fast track to confident results regardless of sample complexity, the depth of insights required or the presence of unknown compounds.

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Cindion™ Combustion Ion Chromatography System

Thermo Scientific

Perform analysis of total halogens and sulfur in difficult-to-analyze samples with the Thermo Scientific™ Cindion™ Combustion Ion Chromatography (C-IC) System. With its unique front-end combustion that incorporates non-detectable PFAS-containing components within the sample pathway, the C-IC system eliminates potential sources of PFAS during analysis to deliver the lowest achievable background levels enabling the most sensitive detection

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ETHOS™ X Microwave Extraction of PFAS

Milestone

Microwave-Assisted Extraction (MAE), widely used in sample preparation for organic pollutant analysis, now extends its capabilities to PFAS. The ETHOS X for PFAS analysis is specifically designed to deliver the highest throughput, processing up to 44 samples per batch. This ensures an efficient workflow and the highest productivity available on the market

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Releases

Pittcon Conference & Expo

Pittcon is a friendly, welcoming environment where analytical chemists at all professional levels meet. Pittcon is a platform for sharing ideas and cooperating to form new ones. At Pittcon, you will find that spark that drives your research, your career, and above all, your scientific perspective forward.

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SelectScience Pioneers online Communication and Promotes Scientific Success

SelectScience informs through trusted lab product reviews, virtual events, thought-leading webinars, features on hot scientific topics, eBooks and more, independent online publisher SelectScience® provides scientists across the world with vital information about the best products and techniques to use in their work.

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CHROMacademy is the leading provider of eLearning for analytical science

For over 10 years, CHROMacademy has increased knowledge, efficiency and productivity across all applications of chromatography.

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