Pub Date : 2024-01-03DOI: 10.30744/brjac.2179-3425.point-of-view-janobrega.n42
Joaquim Nóbrega
In 2010, in the first BrJAC Editorial, Kubota emphasized: “We are launching BrJAC – Brazilian Journal of Analytical Chemistry to open a discussion about the real role of the Analytical Chemistry for the development of the country and bring the improvement of the life quality. BrJAC is an Analytical Chemistry journal whose goal is to debate, discuss, show trends, and needs with opinion editorials and interviews with renowned investigators, besides publishing scientific papers from the academic and industry, fulfilling the idealistic purpose of a group of people to achieve actual academic industrial integration towards innovation and technical-scientific development.”1 In this same issue I had the opportunity to write a Point of View and I stated: “The launching of Brazilian Journal of Analytical Chemistry (BrJAC) is a milestone with full potential to expand the flow of knowledge. The integration of academy and industry is a must and BrJAC will certainly play a major role in putting them in contact.”2 After a relatively short span of time (just 13 years!), it is amazing to think about how much was accomplished. As announced since the beginning, each issue has a great combination of reviews, scientific articles, points of view, letters, sponsors’ reports, releases, news, and interviews. This list of contents is part of the identity of BrJAC and each section plays a special role. Of course, articles are the core of any scientific journal, but to create and consolidate bridges we need to integrate academia and industry, so different forms of communication are in the BrJAC fingerprint. And how could we move ahead without listening to well-known analytical chemists? Fortunately, since its beginning, BrJAC has opened its pages for interviews. We began in 2010 with Prof. Carol Hollingworth Collins (Institute of Chemistry, State University of Campinas)3 and travelled all the way to Dr. Joanna Szpunar (National Research Council of France, CNRS) in the last issue.4 I have no doubt that important landmarks of the history of analytical chemistry in Brazil were revealed in a colloquial atmosphere in these interviews. Recently, Marco Arruda, the Editor-in-Chief, posted a letter on the journal website entitled, “From dream to reality”5 and invited us to celebrate the indexation of BrJAC by Clarivate and its starting impact factor of 0.7. Certainly, the Brazilian community in analytical chemistry has a lot to celebrate and it is amazing to reach this point when we think about the challenges along the 13-year road (and please keep counting!). In his letter, Marco Arruda mentioned challenges related to logistics, economy, ethics, and scientific quality. Surely, these are critical aspects. We live in an increasingly complex society full of opportunities and challenges. I am not thinking about political turmoil, social inequalities, and climate crisis. You know how big these challenges are. However, I would like to mention two other major challenges that we have coped
{"title":"BrJAC 2023 – Growing and Building Bridges","authors":"Joaquim Nóbrega","doi":"10.30744/brjac.2179-3425.point-of-view-janobrega.n42","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.point-of-view-janobrega.n42","url":null,"abstract":"In 2010, in the first BrJAC Editorial, Kubota emphasized: “We are launching BrJAC – Brazilian Journal of Analytical Chemistry to open a discussion about the real role of the Analytical Chemistry for the development of the country and bring the improvement of the life quality. BrJAC is an Analytical Chemistry journal whose goal is to debate, discuss, show trends, and needs with opinion editorials and interviews with renowned investigators, besides publishing scientific papers from the academic and industry, fulfilling the idealistic purpose of a group of people to achieve actual academic industrial integration towards innovation and technical-scientific development.”1 In this same issue I had the opportunity to write a Point of View and I stated: “The launching of Brazilian Journal of Analytical Chemistry (BrJAC) is a milestone with full potential to expand the flow of knowledge. The integration of academy and industry is a must and BrJAC will certainly play a major role in putting them in contact.”2 After a relatively short span of time (just 13 years!), it is amazing to think about how much was accomplished. As announced since the beginning, each issue has a great combination of reviews, scientific articles, points of view, letters, sponsors’ reports, releases, news, and interviews. This list of contents is part of the identity of BrJAC and each section plays a special role. Of course, articles are the core of any scientific journal, but to create and consolidate bridges we need to integrate academia and industry, so different forms of communication are in the BrJAC fingerprint. And how could we move ahead without listening to well-known analytical chemists? Fortunately, since its beginning, BrJAC has opened its pages for interviews. We began in 2010 with Prof. Carol Hollingworth Collins (Institute of Chemistry, State University of Campinas)3 and travelled all the way to Dr. Joanna Szpunar (National Research Council of France, CNRS) in the last issue.4 I have no doubt that important landmarks of the history of analytical chemistry in Brazil were revealed in a colloquial atmosphere in these interviews. Recently, Marco Arruda, the Editor-in-Chief, posted a letter on the journal website entitled, “From dream to reality”5 and invited us to celebrate the indexation of BrJAC by Clarivate and its starting impact factor of 0.7. Certainly, the Brazilian community in analytical chemistry has a lot to celebrate and it is amazing to reach this point when we think about the challenges along the 13-year road (and please keep counting!). In his letter, Marco Arruda mentioned challenges related to logistics, economy, ethics, and scientific quality. Surely, these are critical aspects. We live in an increasingly complex society full of opportunities and challenges. I am not thinking about political turmoil, social inequalities, and climate crisis. You know how big these challenges are. However, I would like to mention two other major challenges that we have coped","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"1 4","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139389059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-03DOI: 10.30744/brjac.2179-3425.ar-45-2023
G. Vettorello, Lucas Schmidt, Daniel Kuhn, Bruno da Silva, A. Weber, S. Cordeiro, Guilherme Henn, Bruna Costa, Jéssica dos Santos, Joana Willrich, Cristiano Pereira, Alexandre Rieger, C. Steffens, E. Ethur, E. D. de Freitas, L. Hoehne
Current Brazilian legislation for the treatment of drinking water does not require analysis for micropollutants such as the antibiotic amoxicillin. However, the presence of these compounds in the environment is directly linked to bacterial resistance, and the development of methodologies focusing on their removal is necessary. A few alternatives, such as Advanced Oxidative Processes, have already been proposed and, more recently, studies have shown that certain enzymes, like peroxidases, have the ability to degrade micropollutants in the presence of hydrogen peroxide (H2O2). In this sense, the present study aims to evaluate the enzymatic degradation of 25 mg L-1 amoxicillin using peroxidase. For the specific method, amoxicillin solutions were fed to a batch reactor and different concentrations of peroxidase combined with varying H2O2 concentrations (0.5, 1.0, and 2.5 mmol L-1) were added. Reactions occurred for 9 hours. All samples were analyzed by liquid chromatography coupled with mass spectrometry, and the residual toxicity was assessed using Daphnia magna. The results showed around 50% degradation of the drug, and byproducts originating from amoxicillin were identified. Toxicological tests indicated that the byproducts were minimally toxic to the microcrustacean, highlighting the importance of evaluating the safety of proposed treatments.
{"title":"Degradation of the Micropollutant Amoxicillin using Enzymatic Treatment and Evaluation of Resulting Byproducts","authors":"G. Vettorello, Lucas Schmidt, Daniel Kuhn, Bruno da Silva, A. Weber, S. Cordeiro, Guilherme Henn, Bruna Costa, Jéssica dos Santos, Joana Willrich, Cristiano Pereira, Alexandre Rieger, C. Steffens, E. Ethur, E. D. de Freitas, L. Hoehne","doi":"10.30744/brjac.2179-3425.ar-45-2023","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.ar-45-2023","url":null,"abstract":"Current Brazilian legislation for the treatment of drinking water does not require analysis for micropollutants such as the antibiotic amoxicillin. However, the presence of these compounds in the environment is directly linked to bacterial resistance, and the development of methodologies focusing on their removal is necessary. A few alternatives, such as Advanced Oxidative Processes, have already been proposed and, more recently, studies have shown that certain enzymes, like peroxidases, have the ability to degrade micropollutants in the presence of hydrogen peroxide (H2O2). In this sense, the present study aims to evaluate the enzymatic degradation of 25 mg L-1 amoxicillin using peroxidase. For the specific method, amoxicillin solutions were fed to a batch reactor and different concentrations of peroxidase combined with varying H2O2 concentrations (0.5, 1.0, and 2.5 mmol L-1) were added. Reactions occurred for 9 hours. All samples were analyzed by liquid chromatography coupled with mass spectrometry, and the residual toxicity was assessed using Daphnia magna. The results showed around 50% degradation of the drug, and byproducts originating from amoxicillin were identified. Toxicological tests indicated that the byproducts were minimally toxic to the microcrustacean, highlighting the importance of evaluating the safety of proposed treatments.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"53 12","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139388319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-03DOI: 10.30744/brjac.2179-3425.letter-jnaozuka.n42
J. Naozuka
For several reasons, mainly cost and local productivity, the world population does not have access to a balanced diet that contains all the macro and micronutrients necessary to maintain physiological functions for a healthy life. Nutritional education, supplementation, and consuming enriched (or fortified) foods appear as alternatives to supply daily demands and minimize malnutrition. Adding essential elements as salts (e.g., iron, calcium, and zinc) to ready-to-eat processed foods, such as milk, flour, and juices is already adopted in several countries. The choice of the compound to be added, as well as the transport vehicle (foods), must be very well evaluated since the cost, long-term consumption, and bioavailability of the added chemical species are imperative to ensure the nutritional quality of enriched food.1 Another alternative to produce enriched foods is cultivating an enriched medium (Figure 1), adding essential elements to soil or in nutritive solution (hydroponic procedure), irrigating leaves, or immersing seeds.2 In this case, the chemical species used to the enrich food must be absorbed, translocated, and accumulated in the edible part.2 Studies have shown that the iron enrichment of adzuki beans using iron nitrate or iron chloride was unsuccessful since iron inorganic species interact strongly with the antinutrients (tannins or phytates) present in the roots, forming insoluble complexes and preventing their translocation.3 Alternatives found to overcome this obstacle were enrichment by applying iron complexes with EDTA (ethylenediaminetetra-acetic acid)3 or iron nanoparticles, mainly encapsulated.4 The nanoparticle application has been gaining prominence in agriculture, aiming to carry fertilizer, pesticides, and nutrients to stimulate plant growth and increase macro and micronutrient availability and absorption efficiency.5,6 Besides the interaction between essential elements with antinutrients, evaluating the competition between elemental species is important, because synergistic or antagonistic effects can be observed. In both cases, chemical species must interact with other components present in food or cultivation medium, altering its chemical composition when compared to food cultivated in conventional conditions. The antagonistic effect between selenium and mercury was observed in edible mushrooms, while the synergistic effect was observed with lead and selenium.7,8 Finally, it must be evaluated if the enrichment promotes the production of non-bioavailable or toxic species. Regardless of the food enrichment strategy, it is important to highlight the need to identify and quantify the elemental chemical species in the enriched foods by chemical speciation analysis. In the Figure 1 is shown examples of elemental chemical species; they can differ according to their oxidation states, inorganic forms, and organometallic or isotopic composition.9 For chemical speciation studies, initial fractionation steps (e.g., extraction proce
{"title":"Importance of Elemental Chemical Speciation Studies in Enriched Food: Nutritional Quality, Toxicity, and Economic Improvement","authors":"J. Naozuka","doi":"10.30744/brjac.2179-3425.letter-jnaozuka.n42","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.letter-jnaozuka.n42","url":null,"abstract":"For several reasons, mainly cost and local productivity, the world population does not have access to a balanced diet that contains all the macro and micronutrients necessary to maintain physiological functions for a healthy life. Nutritional education, supplementation, and consuming enriched (or fortified) foods appear as alternatives to supply daily demands and minimize malnutrition. Adding essential elements as salts (e.g., iron, calcium, and zinc) to ready-to-eat processed foods, such as milk, flour, and juices is already adopted in several countries. The choice of the compound to be added, as well as the transport vehicle (foods), must be very well evaluated since the cost, long-term consumption, and bioavailability of the added chemical species are imperative to ensure the nutritional quality of enriched food.1 Another alternative to produce enriched foods is cultivating an enriched medium (Figure 1), adding essential elements to soil or in nutritive solution (hydroponic procedure), irrigating leaves, or immersing seeds.2 In this case, the chemical species used to the enrich food must be absorbed, translocated, and accumulated in the edible part.2 Studies have shown that the iron enrichment of adzuki beans using iron nitrate or iron chloride was unsuccessful since iron inorganic species interact strongly with the antinutrients (tannins or phytates) present in the roots, forming insoluble complexes and preventing their translocation.3 Alternatives found to overcome this obstacle were enrichment by applying iron complexes with EDTA (ethylenediaminetetra-acetic acid)3 or iron nanoparticles, mainly encapsulated.4 The nanoparticle application has been gaining prominence in agriculture, aiming to carry fertilizer, pesticides, and nutrients to stimulate plant growth and increase macro and micronutrient availability and absorption efficiency.5,6 Besides the interaction between essential elements with antinutrients, evaluating the competition between elemental species is important, because synergistic or antagonistic effects can be observed. In both cases, chemical species must interact with other components present in food or cultivation medium, altering its chemical composition when compared to food cultivated in conventional conditions. The antagonistic effect between selenium and mercury was observed in edible mushrooms, while the synergistic effect was observed with lead and selenium.7,8 Finally, it must be evaluated if the enrichment promotes the production of non-bioavailable or toxic species. Regardless of the food enrichment strategy, it is important to highlight the need to identify and quantify the elemental chemical species in the enriched foods by chemical speciation analysis. In the Figure 1 is shown examples of elemental chemical species; they can differ according to their oxidation states, inorganic forms, and organometallic or isotopic composition.9 For chemical speciation studies, initial fractionation steps (e.g., extraction proce","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"14 24","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139388890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-21DOI: 10.30744/brjac.2179-3425.tn-92-2023
Lúcio Logrado, Jez Willian Braga, João Carlos Laboissiere
Banknotes are commonly subjected to chemical analysis in forensic laboratories in the search for post-explosion residues. This matrix presents unique challenges due to the potential presence of target analytes resulting from everyday use, as well as the lack of control samples for comparison. In addition to their relevance in attacks against Automated Teller Machines (ATMs), banknotes are of significant interest when confiscated from suspicious individuals, vehicles, and locations, as they can provide valuable evidence in establishing a connection to this type of crime scene. In such cases, the absence of bulk particles, alternative materials, and control samples is common. This study employed ion chromatography to analyze uncirculated, circulated, and seized banknotes, aiming to determine their ionic profiles. This investigation provides insights into the background levels of target ions in banknotes and aids in the analysis of post-explosion residues. A simple, fast, and precise extraction method was proposed, yielding RSD values below 10% for most analytes in uncirculated banknotes. The study revealed the presence of various ions of interest, some in significant concentrations, even in uncirculated banknotes. PCA analysis demonstrated a clear separation of uncirculated notes based on their banknote value. However, this clustering behavior was not observed in circulated banknotes due to natural variations in analyte concentrations. Interestingly, when uncirculated, circulated, and seized R$ 100 banknotes were analyzed together, the seized samples from an ATM robbery showed a distinct separation from the other groups, indicating the potential for developing classification models.
{"title":"Assessment of Banknotes as a Matrix for Detecting Post-Explosion Residues of Fuel-Oxidizer Explosive Mixtures Using Ion Chromatography","authors":"Lúcio Logrado, Jez Willian Braga, João Carlos Laboissiere","doi":"10.30744/brjac.2179-3425.tn-92-2023","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.tn-92-2023","url":null,"abstract":"Banknotes are commonly subjected to chemical analysis in forensic laboratories in the search for post-explosion residues. This matrix presents unique challenges due to the potential presence of target analytes resulting from everyday use, as well as the lack of control samples for comparison. In addition to their relevance in attacks against Automated Teller Machines (ATMs), banknotes are of significant interest when confiscated from suspicious individuals, vehicles, and locations, as they can provide valuable evidence in establishing a connection to this type of crime scene. In such cases, the absence of bulk particles, alternative materials, and control samples is common. This study employed ion chromatography to analyze uncirculated, circulated, and seized banknotes, aiming to determine their ionic profiles. This investigation provides insights into the background levels of target ions in banknotes and aids in the analysis of post-explosion residues. A simple, fast, and precise extraction method was proposed, yielding RSD values below 10% for most analytes in uncirculated banknotes. The study revealed the presence of various ions of interest, some in significant concentrations, even in uncirculated banknotes. PCA analysis demonstrated a clear separation of uncirculated notes based on their banknote value. However, this clustering behavior was not observed in circulated banknotes due to natural variations in analyte concentrations. Interestingly, when uncirculated, circulated, and seized R$ 100 banknotes were analyzed together, the seized samples from an ATM robbery showed a distinct separation from the other groups, indicating the potential for developing classification models.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"18 9‐10","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139167762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-15DOI: 10.30744/brjac.2179-3425.tn-68-2023
Rahul Sharma, Shailendra Kumar
Ammonium Nitrate Fuel Oil (ANFO) is preferred mining explosives in worldwide. It is composed of ammonium nitrate (94-96%) and liquid hydrocarbon as fuel oil (4-6%), which is detonated through an explosive charge. In India, Forensic Science Laboratories received many criminal cases from investigation agencies for chemical analysis of sample as semi-solid materials supposed to be explosive material. In the present study, we developed an Attenuated Total Reflectance - Fourier Transform Infrared Spectroscopy (ATR-FTIR) procedure for easily analyzing the real crime exhibits related to ANFO based explosives. Firstly, semi-solid material is directly used on the ATR. Further, the sample is extracted using appropriate solvents (diethyl-ether/acetone). Extracts are subsequently analyzed on ATR-FTIR in comparison with standards for ammonium nitrate and diesel. The residue after acetone extract is dried and left solid material directly used on ATR for the detection of water-soluble compounds. The results significantly showed the presence of ammonium nitrate with the residue of diesel in a real crime exhibit. Hence, the proposed modify procedure can be advantageous for the rapid detection of diesel components mixed in ammonium nitrate through ATR-FTIR spectroscopy without the use of other chemical or instrumental analysis in a short period of time and also for easily identifying the presence of organic explosives (if any) among different samples received for the forensic opinion.
{"title":"Rapid Prediction of ANFO Based Explosives through ATR-FTIR Analysis – Use of ATR-FTIR in Explosives","authors":"Rahul Sharma, Shailendra Kumar","doi":"10.30744/brjac.2179-3425.tn-68-2023","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.tn-68-2023","url":null,"abstract":"Ammonium Nitrate Fuel Oil (ANFO) is preferred mining explosives in worldwide. It is composed of ammonium nitrate (94-96%) and liquid hydrocarbon as fuel oil (4-6%), which is detonated through an explosive charge. In India, Forensic Science Laboratories received many criminal cases from investigation agencies for chemical analysis of sample as semi-solid materials supposed to be explosive material. In the present study, we developed an Attenuated Total Reflectance - Fourier Transform Infrared Spectroscopy (ATR-FTIR) procedure for easily analyzing the real crime exhibits related to ANFO based explosives. Firstly, semi-solid material is directly used on the ATR. Further, the sample is extracted using appropriate solvents (diethyl-ether/acetone). Extracts are subsequently analyzed on ATR-FTIR in comparison with standards for ammonium nitrate and diesel. The residue after acetone extract is dried and left solid material directly used on ATR for the detection of water-soluble compounds. The results significantly showed the presence of ammonium nitrate with the residue of diesel in a real crime exhibit. Hence, the proposed modify procedure can be advantageous for the rapid detection of diesel components mixed in ammonium nitrate through ATR-FTIR spectroscopy without the use of other chemical or instrumental analysis in a short period of time and also for easily identifying the presence of organic explosives (if any) among different samples received for the forensic opinion.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"3 12","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139000957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-15DOI: 10.30744/brjac.2179-3425.ar-91-2023
Bruno Rocha, M. Gallimberti, Marília Souza, João Ximenez, A. Martino-Andrade, José Domingo, F. Barbosa Jr.
In recent years, the number of epidemiological studies on phthalates that can inform and help update health risk assessments has grown rapidly. Developing reliable and rapid analytical methods for determining phthalate monoesters (m-PAEs) is an important biomonitoring tool for assessing exposure. In this study, a fast and sensitive method was developed to determine 15 m-PAEs in human urine samples as effective biomarkers for exposure assessment. Air-assisted dispersive liquid-liquid microextraction and liquid chromatography coupled to mass spectrometry were used. In order to determine the optimal conditions and model the variables influencing the extraction efficiency, a central composite rotatable design coupled with response surface methodology was used. Under the optimized conditions, the method achieved good linearities (R > 0.99), satisfactory intra- and inter-day accuracies (97–111%), and intra- and inter-day precision (RSD < 14%). The proposed procedure allowed the detection of the m-PAEs with limit of detection values between 0.02 and 0.10 ng mL-1, which makes the method sensitive and appropriate for assessing internal exposure to phthalates. The applicability of the proposed procedure was evaluated by screening fifty children’s urine from Brazil. High detection frequencies and urinary concentrations of several m-PAEs associated with using personal care products and diet were found.
{"title":"Development of an Air-assisted Dispersive Liquid-Liquid Microextraction Method as a Valuable Biomonitoring Tool for Exposure Assessment of Phthalates","authors":"Bruno Rocha, M. Gallimberti, Marília Souza, João Ximenez, A. Martino-Andrade, José Domingo, F. Barbosa Jr.","doi":"10.30744/brjac.2179-3425.ar-91-2023","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.ar-91-2023","url":null,"abstract":"In recent years, the number of epidemiological studies on phthalates that can inform and help update health risk assessments has grown rapidly. Developing reliable and rapid analytical methods for determining phthalate monoesters (m-PAEs) is an important biomonitoring tool for assessing exposure. In this study, a fast and sensitive method was developed to determine 15 m-PAEs in human urine samples as effective biomarkers for exposure assessment. Air-assisted dispersive liquid-liquid microextraction and liquid chromatography coupled to mass spectrometry were used. In order to determine the optimal conditions and model the variables influencing the extraction efficiency, a central composite rotatable design coupled with response surface methodology was used. Under the optimized conditions, the method achieved good linearities (R > 0.99), satisfactory intra- and inter-day accuracies (97–111%), and intra- and inter-day precision (RSD < 14%). The proposed procedure allowed the detection of the m-PAEs with limit of detection values between 0.02 and 0.10 ng mL-1, which makes the method sensitive and appropriate for assessing internal exposure to phthalates. The applicability of the proposed procedure was evaluated by screening fifty children’s urine from Brazil. High detection frequencies and urinary concentrations of several m-PAEs associated with using personal care products and diet were found.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"19 3","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138999978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study illustrates the practical application of Design of Experiments (DoE) in two real-life scenarios within the pharmaceutical industry. The first case involved optimizing a chromatographic method for the determination of multiple analytes and their degradation products. The primary variable of interest was gradient time, and the most favorable outcomes were achieved at a pH value of 2. In the second case, we conducted a shelf-life study for a veterinary product, revealing that the vial filling variable exerted a statistically significant impact (p-value < 0.05). The incorporation of DoE in both cases played an important role in ensuring the attainment of dependable and statistically validated results.
{"title":"Design of Experiments (DoE) Application in Two Cases of Study in Pharmaceutical Industries","authors":"Romero Souza, Luiz Bonamichi, Edenir Pereira-Filho","doi":"10.30744/brjac.2179-3425.ar-56-2023","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.ar-56-2023","url":null,"abstract":"This study illustrates the practical application of Design of Experiments (DoE) in two real-life scenarios within the pharmaceutical industry. The first case involved optimizing a chromatographic method for the determination of multiple analytes and their degradation products. The primary variable of interest was gradient time, and the most favorable outcomes were achieved at a pH value of 2. In the second case, we conducted a shelf-life study for a veterinary product, revealing that the vial filling variable exerted a statistically significant impact (p-value < 0.05). The incorporation of DoE in both cases played an important role in ensuring the attainment of dependable and statistically validated results.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":"56 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136037967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-06DOI: 10.30744/brjac.2179-3425.interview.mmiro
Manuel Miró
Manuel Miró received his M.Sc. (1998) and Ph.D. (2002) in Chemistry from the University of the Balearic Islands, Spain. He has conducted post-doctoral research in several universities, including the Technical University of Berlin, Technical University of Denmark and University of Natural Resources and Applied Life Sciences. He is currently Full Professor in Analytical Chemistry at the University of the Balearic Islands (since September 2017); Guest Professor at Charles University (Czech Republic) (since 2014); and member of the IUPAC Chemistry and Environment Division (Subcommittee on Chemical and Biophysical Processes in the Environment). He has completed and consolidated four teaching periods (each of 5 years) and three research periods (each of 6 years). Dr. Miró is the Reviews Editor of the journal Analytica Chimica Acta (Elsevier, IF: 6.91, the second highest IF across scientific journals for general analytical chemistry) and Associate Editor of the Encyclopedia of Analytical Science, 3rd Edition, Elsevier, positions that he has held since 2007 and 2016, respectively. His publication record shows over 220 refereed publications, including 14 book chapters and a foreword, with an h-index of 42 and over 5600 citations. He has published 24 articles in the prestigious journal ‘Analytical Chemistry’ from the American Chemical Society and is the corresponding author of 110 articles. Dr. Miró has delivered 70 oral presentations (60 as plenary, keynote, or invited lecturer) at international conferences on analytical chemistry, sample preparation, nanotechnology, environmental chemistry, and automation based on flow methodology. He has also presented over 180 poster communications in international conferences and symposiums. He has supervised 10 Ph.D. students in national and international universities (Technical University of Denmark, Mahidol University and Chiang Mai University in Thailand, University of the Balearic Islands in Spain, and Federal University of Bahia in Brazil). He has been actively engaged in 34 national and international research projects (e.g., University of Melbourne in Australia and Charles University in Czech Republic), including 16 as the Principal Investigator. Dr. Miró’s research interests are focused on the development of on-line sample processing strategies for isolation and/or preconcentration of trace levels of environmental pollutants, exploiting 3D printing in the generation of various flow injections, including 3D-printed µFIA and Lab-on-a-Valve mesofluidic platforms, in conjunction with modern analytical instrumentation.
Manuel Miró在西班牙巴利阿里群岛大学获得化学硕士学位(1998)和博士学位(2002)。曾在柏林工业大学、丹麦工业大学、自然资源与应用生命科学大学等多所大学进行博士后研究。他目前是巴利阿里群岛大学分析化学全职教授(自2017年9月起);捷克查尔斯大学客座教授(自2014年起);也是IUPAC化学和环境部门(环境中的化学和生物物理过程小组委员会)的成员。完成并巩固了4个5年的教学期和3个6年的研究期。Miró博士是《分析化学学报》(Analytica Chimica Acta)期刊的评论编辑(爱思唯尔，IF: 6.91，普通分析化学科学期刊中第二高的IF)和《分析科学百科全书》第三版的副编辑，爱思唯尔，分别自2007年和2016年担任该职位。发表文献220余篇，包括14篇图书章节和1篇前言，h指数42，引用5600余次。他在美国化学会的著名期刊《分析化学》上发表了24篇文章，是110篇文章的通讯作者。Miró博士在分析化学、样品制备、纳米技术、环境化学和基于流程方法的自动化等国际会议上发表了70次口头报告(60次作为全体会议、主题演讲或特邀讲师)。他还在国际会议和研讨会上发表了180多篇海报。他在国内和国际大学(丹麦技术大学、泰国玛希隆大学和清迈大学、西班牙巴利阿里群岛大学和巴西巴伊亚联邦大学)指导了10名博士生。积极参与国内外科研项目34项(如澳大利亚墨尔本大学、捷克查尔斯大学)，其中16项为首席研究员。Miró博士的研究兴趣集中于在线样品处理策略的开发，用于分离和/或预浓缩痕量环境污染物，利用3D打印技术生产各种流动注射，包括3D打印的微FIA和Lab-on-a-Valve介流平台，并结合现代分析仪器。
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Pub Date : 2023-10-06DOI: 10.30744/brjac.2179-3425.point-of-view-mpiston.n41
Mariela Pistón
Teaching Generation Z (Zs or Centennials) has become a great challenge since students arrived at the university classrooms meeting professors of different generations, from Baby Boomers, through Generations X and Y (Millennials) and even young assistants of the same generation. This became an interesting challenge to tackle, and we thought this transition was going to take a while. But suddenly, in the year 2020, a pandemic began, something totally unexpected that left us in shock, and without a reaction time for transitions, those of us who teach experimental sciences in universities were forced overnight by the most incredible challenges to improve our creativity to maintain the quality of teaching of Analytical Chemistry. There was no time to identify with any generation… suddenly we were all Zs (the digital generation) and additionally began to know about Generation Alpha. From my point of view, as a woman of Generation X (mavericks seeking success), and as a Professor of Analytical Chemistry, having started as an assistant in classes of this discipline in 1996, I would like to share my experience on how the pandemic irreversibly accelerated the use of digital tools, not to get closer to Generation Z, but without realizing it, reaching a transition to Generation Alpha (those born in the 2010s), despite the fact that they have not yet arrived at university. Generation X and earlier were used to face-to-face classes, to the university coexistence of many hours in the classrooms and in the libraries. Then we began to think about virtual classes, digital platforms, enabling work to be done with the help of internet resources, but suddenly... chaos! In 2020, there were worldwide restrictions on face-to-face access to university classrooms, and now what do we do? Thinking about Analytical Chemistry, we could teach the theoretical content online, but what about the experiments in the laboratory? The use of instruments? Exams and evaluations? It was real chaos; teachers experienced anxiety and higher levels of burnout. Communications via cell phones and messages became the form of contact and the number of e-mails skyrocketed. Teleworking, with the family around, work without a fixed schedule and an infringement of privacy, became the norm. Those were difficult times; those teachers closest to Generation Z adapted more quickly; for those of the Baby Boomer generation the situation accelerated their retirement processes; and for those of us from Generation X or Y... we could be considered survivors. Once the pandemic ended, at least in our university, we waited with great enthusiasm for the return to classrooms expecting to see them full of students; however, we went through another shock: the theoretical classrooms were empty. During the pandemic, a lot of recorded material was generated through digital platforms that the students themselves later requested to the authorities to be kept online, so they stopped attending theoretical classes. Now they
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Pub Date : 2023-10-06DOI: 10.30744/brjac.2179-3425.letter-imachado.n41
Ignacio Machado
Metallomics is an emerging area of the omics disciplines that has grown enormously since its conception as an academic discipline in 2004. This discipline integrates research related to biometals, along with other disciplines such as genomics, proteomics, metabolomics, and bioinorganic chemistry. It is defined as the study of the metallome, the interactions and functional connections of metal ions or species with genes, proteins, metabolites, and other biomolecules in biological systems. The study of the metallome of a species can provide information on the distribution of an element between cellular compartments, on the coordination environment in which a biomolecule is incorporated, or on the concentration of individual metal species present. In this regard, it plays a very important role in providing integrated information that connects metallomics with other omics disciplines.1,2 The term ‘metallomics’ was pronounced for the first time in June 2002 during the Tokushima Seminar on Chemical Engineering held in Tokushima, Japan, where the development of this new omics discipline was suggested, which was closely influenced by the progress of Analytical Atomic Spectrometry, in particular by Inductively Coupled Plasma Mass Spectrometry (ICP-MS) and Inductively Coupled Plasma Atomic Emission Spectrometry (ICP-AES). Since the mid-1970s, ICP-MS and ICP-AES techniques have been positioned as highly sensitive analytical tools with excellent possibilities for simultaneous quantification of multiple elements. Nowadays, it is possible to carry out analyses of basically all the elements in any type of sample using one of these two techniques. Likewise, the use of several other techniques for metallomic studies has been reported, such as Electrothermal Atomic Absorption Spectrometry (ETAAS), Microwave Plasma Atomic Emission Spectrometry (MP-AES), Laser Induced Plasma Spectroscopy (LIBS), and Energy Dispersive X-Ray Fluorescence Spectrometry (EDXRF), among others.2 A very useful bioanalytical study, within the field of metallomics, is the cellular uptake assay of potential metallodrugs. Using an adequate analytical technique, the metallic center of a given metallodrug can be monitored, and thus the fraction capable of entering a certain type of cell can be evaluated. Likewise, the distribution at the subcellular level and the association of the studied metallodrug with biomacromolecules of interest may be studied. In this context, our research group has been working on the optimization and validation of different bioanalytical methods for monitoring potential metallodrugs with activity against Trypanosoma cruzi, a protozoan parasite that causes Chagas disease, which is a pressing health problem in high-poverty areas of Latin America.3 A large number of metallic compounds with anti-Trypanosoma cruzi activity have been synthesized by our group, using as a strategy the coordination of metal ions or organometallic centers of pharmacological importance with bioact
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