Pub Date : 2022-05-04DOI: 10.30744/brjac.2179-3425.ar-122-2021
E. Moawed, Sara Ragab, A. El-Shobaky, Maha El Hagrasy
A lignin-based bio-alkyd resin (LA-Resin) was synthesized by the polycondensation reaction of lignin with a mixture of palmitic acid and glycerol. The LA-Resin was characterized using many techniques, including scanning electron microscope, FTIR, X-ray diffraction and thermal analysis. LA-Resin was proven to have graphitized structures with enhanced surface functional groups, showing a slightly basic character (pHZCP = 7.8). It has a relatively better cation exchange capacity (0.70 mmol g-1) in addition to the ability for physical adsorption. The performance of LA-Resin was assessed for the uptake of molybdenum (Mo), followed by spectrophotometric determination, applying both batch and column techniques. Elevated sorption percentages of Mo were observed in acidic medium H2SO4 (1.5 mol L-1) in the presence of ascorbic acid (0.050 mol L-1) and NH4SCN (0.10 mol L-1). The method was successfully applied to the separation and determination of Mo in mice liver, pharmaceuticals, water and fertilizer samples. Validation showed good recovery (96.6-99.6%), sensitivity (LOD, 0.9-4.0 μg L-1), repeatability (RSD% ≤1.5%) and linearity (R2 = 0.984), demonstrating a good quantitative performance of the method. Mo in all investigated samples regardless of different matrices were well-separated and detected, indicating that the method is sensitive enough to detect low concentrations of Mo even in small samples such as mice liver.
{"title":"Evaluation of a Lignin Bio-alkyd Resin for the Selective Determination of Molybdenum in Biological, Pharmaceutical, Fertilizer and Water Samples","authors":"E. Moawed, Sara Ragab, A. El-Shobaky, Maha El Hagrasy","doi":"10.30744/brjac.2179-3425.ar-122-2021","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.ar-122-2021","url":null,"abstract":"A lignin-based bio-alkyd resin (LA-Resin) was synthesized by the polycondensation reaction of lignin with a mixture of palmitic acid and glycerol. The LA-Resin was characterized using many techniques, including scanning electron microscope, FTIR, X-ray diffraction and thermal analysis. LA-Resin was proven to have graphitized structures with enhanced surface functional groups, showing a slightly basic character (pHZCP = 7.8). It has a relatively better cation exchange capacity (0.70 mmol g-1) in addition to the ability for physical adsorption. The performance of LA-Resin was assessed for the uptake of molybdenum (Mo), followed by spectrophotometric determination, applying both batch and column techniques. Elevated sorption percentages of Mo were observed in acidic medium H2SO4 (1.5 mol L-1) in the presence of ascorbic acid (0.050 mol L-1) and NH4SCN (0.10 mol L-1). The method was successfully applied to the separation and determination of Mo in mice liver, pharmaceuticals, water and fertilizer samples. Validation showed good recovery (96.6-99.6%), sensitivity (LOD, 0.9-4.0 μg L-1), repeatability (RSD% ≤1.5%) and linearity (R2 = 0.984), demonstrating a good quantitative performance of the method. Mo in all investigated samples regardless of different matrices were well-separated and detected, indicating that the method is sensitive enough to detect low concentrations of Mo even in small samples such as mice liver.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48656706","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 : 2022-04-11DOI: 10.30744/brjac.2179-3425.point-of-view.ecarrilho.n35
E. Carrilho
It is time we innovate from the bottom up! From the analytical chemistry curriculum to the approach we take in teaching it. From the problems we are set to solve to the opportunities we create. Innovation and entrepreneurship are two words that are the “hype of the moment”, indeed! But this is for the greater good! Modern societies and highly developed countries invest heavily in education and science and have open economies, with little or no bureaucracy to start a business or create a company. Startups, spin-offs, investors, and profit are words that should be in the minds of young analytical and bioanalytical chemists. Profit, contrary to what our Judaic-Christian religious background has stamped in our subconscious, is not a bad word. It is not a sin!
{"title":"Analytical and Bioanalytical Chemistry It is time we innovate","authors":"E. Carrilho","doi":"10.30744/brjac.2179-3425.point-of-view.ecarrilho.n35","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.point-of-view.ecarrilho.n35","url":null,"abstract":"It is time we innovate from the bottom up! From the analytical chemistry curriculum to the approach we take in teaching it. From the problems we are set to solve to the opportunities we create. Innovation and entrepreneurship are two words that are the “hype of the moment”, indeed! But this is for the greater good! Modern societies and highly developed countries invest heavily in education and science and have open economies, with little or no bureaucracy to start a business or create a company. Startups, spin-offs, investors, and profit are words that should be in the minds of young analytical and bioanalytical chemists. Profit, contrary to what our Judaic-Christian religious background has stamped in our subconscious, is not a bad word. It is not a sin!","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48524834","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 : 2022-04-11DOI: 10.30744/brjac.2179-3425.editorial.lwhantao.n35
L. Hantao
Modern analytical chemistry comprises an amazing scope of techniques and methods used for the characterization of analytes in complex matrices. Despite the numerous formats and instrument configurations, the challenges faced by analysts in innovation-driven environments are, in essence, the same. Recent advances in separation science have imposed new requirements for sampling and sample preparation, which has ultimately altered the essence of contemporary sample preparation. Advances in column technology and multidimensional instrumentation has led to the achievement of unprecedented peak capacities. The evolution of hyphenated methods has enabled the generation of information-dense data tensors, which ultimately impact the fundamental role and formats available for data processing and interpretation (see Issue #32). This paradigm shift has created exciting opportunities for analytical chemistry. In this issue #35, we have carefully selected applications covering some of the most important steps of an analytical method, namely, sample preparation and method development using separation and spectroscopy to solve real world tasks. For instance, a review article covers the potential of combining restricted access materials with molecularly imprinted polymers for bioanalytical applications. This article is followed by a report on the extraction and characterization of Tamarind gum from an unusual source of biomass, which is an important step towards the circular economy. Next, applications of liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) and inductively coupled plasma mass spectrometry (ICP-MS) are also available for the interested reader. In this issue, we have also interviewed Dr. Gisele Tonietto about the dissemination of science, published a point of view with Dr. Emanuel Carrilho, and a letter from Dr. Cesar Tarley. Lastly, I would like to thank all the authors, reviewers, and editorial staff for putting this much effort and dedication into publishing this issue on time. This journal has grown beyond expectations, while accompanying the evolution of research and innovation in Brazil. It is our hope to continue pushing the boundaries of science by inviting interested authors from Latin American and the world. I look forward to publishing manuscripts that will also recognize and promote equality in science, highlighting role models for younger generations of researchers.
{"title":"About this issue","authors":"L. Hantao","doi":"10.30744/brjac.2179-3425.editorial.lwhantao.n35","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.editorial.lwhantao.n35","url":null,"abstract":"Modern analytical chemistry comprises an amazing scope of techniques and methods used for the characterization of analytes in complex matrices. Despite the numerous formats and instrument configurations, the challenges faced by analysts in innovation-driven environments are, in essence, the same. Recent advances in separation science have imposed new requirements for sampling and sample preparation, which has ultimately altered the essence of contemporary sample preparation. Advances in column technology and multidimensional instrumentation has led to the achievement of unprecedented peak capacities. The evolution of hyphenated methods has enabled the generation of information-dense data tensors, which ultimately impact the fundamental role and formats available for data processing and interpretation (see Issue #32). This paradigm shift has created exciting opportunities for analytical chemistry. In this issue #35, we have carefully selected applications covering some of the most important steps of an analytical method, namely, sample preparation and method development using separation and spectroscopy to solve real world tasks. For instance, a review article covers the potential of combining restricted access materials with molecularly imprinted polymers for bioanalytical applications. This article is followed by a report on the extraction and characterization of Tamarind gum from an unusual source of biomass, which is an important step towards the circular economy. Next, applications of liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) and inductively coupled plasma mass spectrometry (ICP-MS) are also available for the interested reader. In this issue, we have also interviewed Dr. Gisele Tonietto about the dissemination of science, published a point of view with Dr. Emanuel Carrilho, and a letter from Dr. Cesar Tarley. Lastly, I would like to thank all the authors, reviewers, and editorial staff for putting this much effort and dedication into publishing this issue on time. This journal has grown beyond expectations, while accompanying the evolution of research and innovation in Brazil. It is our hope to continue pushing the boundaries of science by inviting interested authors from Latin American and the world. I look forward to publishing manuscripts that will also recognize and promote equality in science, highlighting role models for younger generations of researchers.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46369214","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 : 2022-04-11DOI: 10.30744/brjac.2179-3425.letter.crtarley.n35
C. Tarley
Chemical imprinting technologies based on molecularly imprinted polymers (MIPs) and ion imprinted polymers (IIPs) have been widely applied in different fields of analytical chemistry since their discoveries in 19721 and 19762, respectively. MIPs and IIPs are considered biomimetic materials with tailor-made synthetic receptors and are, essentially, obtained by co-polymerization of functional and cross-linking monomers in the presence of a target analyte (a molecule for MIPs and an ion for IIPs). The great advantages of these materials over biological recognition systems include their relatively low cost, quick preparation, and, most importantly, their stability in different media. To date, these biomimetic materials have experienced a rapid development with wide applications in electrochemical sensors, luminescence sensors, separation science, sample preparation, and more specific sensor applications such as surface plasmon resonance (SPR) and quartz crystal microbalance (QCM) sensors. In addition, they have been applied for analysis of samples of environmental, food, and forensic interests, as well as for disease diagnostics.3-8 Figure 1 depicts the increasing number of published papers per year over the past 20 years on the topic of MIPs and IIPs; as expected, most of these papers are devoted to the chemical imprinting of molecules.
{"title":"Chemical Imprinting Technology Applied to Analytical Chemistry: Current Status and Future Outlook in Brazil","authors":"C. Tarley","doi":"10.30744/brjac.2179-3425.letter.crtarley.n35","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.letter.crtarley.n35","url":null,"abstract":"Chemical imprinting technologies based on molecularly imprinted polymers (MIPs) and ion imprinted polymers (IIPs) have been widely applied in different fields of analytical chemistry since their discoveries in 19721 and 19762, respectively. MIPs and IIPs are considered biomimetic materials with tailor-made synthetic receptors and are, essentially, obtained by co-polymerization of functional and cross-linking monomers in the presence of a target analyte (a molecule for MIPs and an ion for IIPs). The great advantages of these materials over biological recognition systems include their relatively low cost, quick preparation, and, most importantly, their stability in different media. To date, these biomimetic materials have experienced a rapid development with wide applications in electrochemical sensors, luminescence sensors, separation science, sample preparation, and more specific sensor applications such as surface plasmon resonance (SPR) and quartz crystal microbalance (QCM) sensors. In addition, they have been applied for analysis of samples of environmental, food, and forensic interests, as well as for disease diagnostics.3-8 Figure 1 depicts the increasing number of published papers per year over the past 20 years on the topic of MIPs and IIPs; as expected, most of these papers are devoted to the chemical imprinting of molecules.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49288157","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 : 2022-04-11DOI: 10.30744/brjac.2179-3425.interview.gbtonietto
G. Tonietto
Prof. Dr. Gisele Birman Tonietto is a professor in the Department of Chemistry at the Pontifical Catholic University of Rio de Janeiro and Coordinator of Development Projects at the Analytical Center of the same university. Prof. Tonietto holds a degree in Industrial Chemistry from the Fluminense Federal University (1989), a master's degree in Chemistry from the Pontifical Catholic University of Rio de Janeiro (1995), and a Ph.D. in Chemistry from the Pontifical Catholic University of Rio de Janeiro (2006). Her research focuses on analytical chemistry, working mainly on ion chromatography, microwaves, arsenic and selenium speciation, and isotopic analysis of carbon, hydrogen and oxygen. Prof. Tonietto is also dedicated to the dissemination of science, developing digital content and promoting interviews, round tables, and training in various areas of chemistry. She received the University Merit Diploma from PUC-Rio in 2021 and is a member of the Technical Chamber of Oil and Gas of the Regional Council of Chemistry of Rio de Janeiro.
Gisele Birman Tonietto教授博士是里约热内卢教皇天主教大学化学系教授和该大学分析中心发展项目协调员。Tonietto教授拥有Fluminense Federal University的工业化学学位(1989年)、the Pontifical Catholic University of里约热内卢de Janeiro的化学硕士学位(1995年)和the Pontifical Catholic University of里约热内卢de Janeiro的化学博士学位(2006年)。她的研究方向为分析化学，主要从事离子色谱、微波、砷和硒的形态形成以及碳、氢和氧的同位素分析。Tonietto教授还致力于科学传播，开发数字内容，促进化学各个领域的访谈、圆桌会议和培训。她于2021年获得了pu -Rio的大学优秀文凭，是里约热内卢de Janeiro地区化学委员会石油和天然气技术商会的成员。
{"title":"Gisele Birman Tonietto, a Coordinator of Development Projects and a Dynamic Researcher also Dedicated to the Dissemination of Science, kindly spoke to BrJAC","authors":"G. Tonietto","doi":"10.30744/brjac.2179-3425.interview.gbtonietto","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.interview.gbtonietto","url":null,"abstract":"Prof. Dr. Gisele Birman Tonietto is a professor in the Department of Chemistry at the Pontifical Catholic University of Rio de Janeiro and Coordinator of Development Projects at the Analytical Center of the same university. Prof. Tonietto holds a degree in Industrial Chemistry from the Fluminense Federal University (1989), a master's degree in Chemistry from the Pontifical Catholic University of Rio de Janeiro (1995), and a Ph.D. in Chemistry from the Pontifical Catholic University of Rio de Janeiro (2006). Her research focuses on analytical chemistry, working mainly on ion chromatography, microwaves, arsenic and selenium speciation, and isotopic analysis of carbon, hydrogen and oxygen. Prof. Tonietto is also dedicated to the dissemination of science, developing digital content and promoting interviews, round tables, and training in various areas of chemistry. She received the University Merit Diploma from PUC-Rio in 2021 and is a member of the Technical Chamber of Oil and Gas of the Regional Council of Chemistry of Rio de Janeiro.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41607712","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 : 2022-04-07DOI: 10.30744/brjac.2179-3425.rv-123-2021
A. Chaves, R. Martins, Lanaia Maciel, Allyster Silva, D. Gondim, Júlia Fortalo, Steffany Santos, J. Roque, B. Vaz
Since its introduction, ambient mass spectrometry methods have been demonstrated as potential approaches for a rapid and sensitive analysis of many compounds in complex matrices with a minimum or no sample preparation step performed. Some of these methods include low-cost devices and in situ methodologies that are included in the new trend of green analytical chemistry. The application of ambient methods for environmental analysis has been reported in the last decades for qualitative and quantitative analysis. This study aims to contribute with an overview of the 2016 to 2021 period of ambient mass spectrometry methods for applications in environmental analysis. In this context, this review reports especially applications for qualitative and quantitative analysis of contaminants using desorption electrospray ionization (DESI), direct analysis in real-time (DART), paper spray ionization (PSI), and extractive electrospray ionization (EESI) methods.
{"title":"Ambient Ionization Mass Spectrometry: Applications and New Trends for Environmental Matrices Analysis","authors":"A. Chaves, R. Martins, Lanaia Maciel, Allyster Silva, D. Gondim, Júlia Fortalo, Steffany Santos, J. Roque, B. Vaz","doi":"10.30744/brjac.2179-3425.rv-123-2021","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.rv-123-2021","url":null,"abstract":"Since its introduction, ambient mass spectrometry methods have been demonstrated as potential approaches for a rapid and sensitive analysis of many compounds in complex matrices with a minimum or no sample preparation step performed. Some of these methods include low-cost devices and in situ methodologies that are included in the new trend of green analytical chemistry. The application of ambient methods for environmental analysis has been reported in the last decades for qualitative and quantitative analysis. This study aims to contribute with an overview of the 2016 to 2021 period of ambient mass spectrometry methods for applications in environmental analysis. In this context, this review reports especially applications for qualitative and quantitative analysis of contaminants using desorption electrospray ionization (DESI), direct analysis in real-time (DART), paper spray ionization (PSI), and extractive electrospray ionization (EESI) methods.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43340395","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 : 2022-03-29DOI: 10.30744/brjac.2179-3425.rv-119-2021
V. Mihucz
Arsenic is naturally present at high concentration levels in aquifers adversely affecting the life of some 200 million people in a number of countries on four continents. Human exposure to As from dietary sources such as marine fish, seafood, poultry, cereals is generally much lower compared to exposure through drinking contaminated water, using contaminated water in food preparation and irrigation of crops. Arsenic toxicity depends on its four valences [As(-III), As0, As(III) and As(V)] and chemical compounds. Thus, in seafood, As is mainly found in its less toxic organic forms. The qualitative and quantitative determinations of individual As species are crucial to understand the environmental fate and behavior of As. The aim of the present review is to give a brief overview on the main As speciation methods and to present how to control As contamination at local and global scales in several environmental (soil, waters) and biological (crops, basic and processed food) samples, as well as complementary and alternative medicinal products marketed as food supplements. In terms of chromatographic separation, emphasis is placed on separation by thin layer chromatography and solid phase extraction. Some approaches to address As contamination (e.g., stabilization in soil, provision of a safe water supply in affected communities) at global and regional scales are also presented.
{"title":"Regional and Global Scale Challenges for Controlling Arsenic Contamination in Agricultural Soil, Water Supplies, Foods and Ayurvedic Medicines","authors":"V. Mihucz","doi":"10.30744/brjac.2179-3425.rv-119-2021","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.rv-119-2021","url":null,"abstract":"Arsenic is naturally present at high concentration levels in aquifers adversely affecting the life of some 200 million people in a number of countries on four continents. Human exposure to As from dietary sources such as marine fish, seafood, poultry, cereals is generally much lower compared to exposure through drinking contaminated water, using contaminated water in food preparation and irrigation of crops. Arsenic toxicity depends on its four valences [As(-III), As0, As(III) and As(V)] and chemical compounds. Thus, in seafood, As is mainly found in its less toxic organic forms. The qualitative and quantitative determinations of individual As species are crucial to understand the environmental fate and behavior of As. The aim of the present review is to give a brief overview on the main As speciation methods and to present how to control As contamination at local and global scales in several environmental (soil, waters) and biological (crops, basic and processed food) samples, as well as complementary and alternative medicinal products marketed as food supplements. In terms of chromatographic separation, emphasis is placed on separation by thin layer chromatography and solid phase extraction. Some approaches to address As contamination (e.g., stabilization in soil, provision of a safe water supply in affected communities) at global and regional scales are also presented.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44500447","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 : 2022-03-07DOI: 10.30744/brjac.2179-3425.tn-99-2021
Paulo Sales, K. de Souza, A. Bezerra, S. Ojala, S. D. de Oliveira, Pierre Alexandre dos Santos, M. Bara
Nowadays, the detection of sucralose sodium adduct under electrospray ionization in mass spectrometry analysis is a common analysis method, but its high chemical stability is not fully understood. In this work, we use quantum chemistry calculations and mass spectrometry data to understand why sodiated sucralose presents this behavior in mass spectrometry conditions. The potential energy and the position of sodium ions were evaluated using different basis sets in order to comprehend the importance of sodiation in sucralose properties. Quantum-chemical calculations show higher reliability to explain the behavior of sucralose sodium adduct under mass spectrometry conditions, especially when its molecular geometry and potential energies are evaluated.
{"title":"How Sodiation Influences the Sucralose Behavior under Electrospray Ionization Mass Spectrometry","authors":"Paulo Sales, K. de Souza, A. Bezerra, S. Ojala, S. D. de Oliveira, Pierre Alexandre dos Santos, M. Bara","doi":"10.30744/brjac.2179-3425.tn-99-2021","DOIUrl":"https://doi.org/10.30744/brjac.2179-3425.tn-99-2021","url":null,"abstract":"Nowadays, the detection of sucralose sodium adduct under electrospray ionization in mass spectrometry analysis is a common analysis method, but its high chemical stability is not fully understood. In this work, we use quantum chemistry calculations and mass spectrometry data to understand why sodiated sucralose presents this behavior in mass spectrometry conditions. The potential energy and the position of sodium ions were evaluated using different basis sets in order to comprehend the importance of sodiation in sucralose properties. Quantum-chemical calculations show higher reliability to explain the behavior of sucralose sodium adduct under mass spectrometry conditions, especially when its molecular geometry and potential energies are evaluated.","PeriodicalId":9115,"journal":{"name":"Brazilian Journal of Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2022-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47719768","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 : 2022-01-21DOI: 10.30744/brjac.2179-3425.editorial.mamsveiga.n34
M. Veiga
Currently, analytical chemistry is more than simply its division into classical and instrumental. It is an interdisciplinary area that involves notions of biology, toxicology, statistics, computer science, and physics, among others. There are several areas of knowledge applied in the development of a chemical analysis, which is configured as all the processes necessary for the identification and quantification of the different components of a sample. When this sample is a trace material from a crime scene, analytical chemistry assumes a central role in the conversion of this sample into material evidence with legal value through consolidated and validated procedures, obtained by exhaustive investigative and methodological studies. The responsibility assumed is in the confidence of the result obtained, which will only be possible with the validation of the method. Although not all methods are perfect, a quantitative determination requires a precise and accurate methodology. Therefore, analytical chemistry is very important to forensic chemistry. Material evidence has a great influence on a trial because it is clothed in technical characteristics, and the expectation is that it will help to unequivocally clarify the truth of the facts. It is this expectation that makes the work of the analytical chemist so important in conducting an analytical procedure for forensic purposes. The result obtained may or may not incriminate someone. Another analytical challenge in forensic analysis is the collection and preparation of a sample that has a criminal trace profile. Such procedures should preserve as much of the criminal evidence as possible. At a crime scene, several samples can be considered evidence: soils, fibers, glass, gunshot residues, explosives, among others. Locard's principle of exchange states that whenever two objects come into contact, an exchange of materials occurs between them and, thus, a connection is established between the suspect and the crime scene or between the suspect and the victim based on the transfer of fragments of the materials. Once again, analytical rigor will play a relevant role in the preservation and experimental conduct of the traces. A failure in the analytical procedure may make it impossible to use a trace as material evidence in a court of law, jeopardizing its use in the conviction of the judge or jury. It is up to the forensic analysts to provide a result with credibility and legal security, i.e., to rigorously follow the analytical protocols. Forensic research is dynamic. One example is the demand for analytical methods that encompass the wide variety of newly emerging psychoactive substances (NPS), formerly known as "designer drugs", which must continually be detected and catalogued. In the Interview in this volume, Dr. Barry Logan tells us about this challenge in his career. I want to register my special thanks to Prof. Dr. Bruno Martinis from the Department of Chemistry of the Faculty of Philosophy, Science
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Pub Date : 2022-01-21DOI: 10.30744/brjac.2179-3425.interview.blogan
B. Logan
Dr Barry Logan is a world leading forensic toxicologist currently serving as Chief Scientist at NMS Labs, and Executive Director at the Center for Forensic Science Research and Education (CSFRE) in Willow Grove, Pennsylvania. He was born and completed his undergraduate and graduate education in Glasgow, Scotland, completed a postdoctoral fellowship at the University of Tennessee in Memphis TN, then served for eighteen years as State Toxicologist for the State of Washington, with an appointment at the University of Washington in Seattle. For nine of those years he also served as Director of the Washington State Crime Laboratory System, which provided services in forensic biology, toxicology, chemistry, document examination, serology, DNA analysis, firearms and crime scene support. In 2008, Logan joined the United States leading forensic toxicology and chemistry reference laboratory - NMS labs - in Pennsylvania to direct their toxicology services. In 2010 he founded the CFSRE and in 2017, established www.NPSDiscovery.org the leading clearing-house for the dissemination of newly emergent drugs in the United States. He has over 150 publications and 600 presentations in forensic toxicology and analytical chemistry, including work on the effects of methamphetamine, cocaine and marijuana on drivers, and drug caused and related death. His recent work has focused on the analytical and interpretive toxicology of novel psychoactive substances (NPS). Dr Logan’s other appointments include Executive Director of the Robert F. Borkenstein course at Indiana University, and academic appointments at Arcadia University, and Thomas Jefferson University in Philadelphia. In recognition of his work and contributions, Dr. Logan has received numerous national and international awards, and in 2013-14 served as President of the American Academy of Forensic Sciences (AAFS). A recent bibliometric analysis of the impact of the world’s forensic scientists, positioned him as the leading contributor to research in the field of forensic toxicology in the United States, and sixth in the world. In the last ten years he has had extensive involvement with forensic scientists in Brazil, hosting graduate students from the Federal University of Rio Grande do Sul, USP, and Campinas University at his laboratory in the United States, and visiting scientists from the Federal Police and State Crime Laboratories. He has presented multiple times at Interforensics, ENQFor, and Brazilian Academy of Forensic Sciences meetings. The CSFRE supports participation of young scientists from Brazil in the AAFS meeting and a reciprocal opportunity for young US scientists to attend Interforensics.
Barry Logan博士是世界领先的法医毒理学家，目前担任NMS实验室的首席科学家和宾夕法尼亚州威洛格罗夫法医科学研究与教育中心（CSFRE）的执行主任。他在苏格兰格拉斯哥出生并完成了本科和研究生教育，在田纳西州孟菲斯市的田纳西大学完成了博士后研究，然后在西雅图的华盛顿大学担任了18年的州毒理学专家。其中九年，他还担任华盛顿州犯罪实验室系统主任，该系统提供法医生物学、毒理学、化学、文件检查、血清学、DNA分析、枪支和犯罪现场支持等服务。2008年，Logan加入了位于宾夕法尼亚州的美国领先的法医毒理学和化学参考实验室NMS实验室，指导其毒理学服务。2010年，他创立了CFSRE，并于2017年成立了www.NPSDiscovery.org，这是美国传播新出现药物的领先信息交换所。他在法医毒理学和分析化学方面发表了150多篇出版物和600多篇演讲，包括关于甲基苯丙胺、可卡因和大麻对司机的影响，以及毒品导致和相关死亡的研究。他最近的工作重点是新型精神活性物质（NPS）的分析和解释毒理学。Logan博士的其他任命包括印第安纳大学Robert F.Borkenstein课程的执行主任，以及阿卡迪亚大学和费城托马斯杰斐逊大学的学术任命。为了表彰他的工作和贡献，Logan博士获得了许多国家和国际奖项，并于2013-14年担任美国法医科学院院长。最近对世界法医科学家影响的文献计量分析使他成为美国法医毒理学领域研究的主要贡献者，在世界上排名第六。在过去的十年里，他与巴西的法医科学家进行了广泛的接触，在他位于美国的实验室接待了来自南里奥格兰德州联邦大学、USP和坎皮纳斯大学的研究生，并访问了来自联邦警察和州犯罪实验室的科学家。他曾多次出席国际法医学、ENQFor和巴西法医科学院会议。CSFRE支持来自巴西的年轻科学家参加AAFS会议，并为美国年轻科学家提供参加Inter取证的互惠机会。
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