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Innovative 96-Well Plate Imaging for Quantifying Hydrogen Peroxide in Cow's Milk: A Practical Teaching Tool for Analytical Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2025年第4期102卷 1651-1661页

作者： Malschitzky, Maria Eduarda Truppel Sequeira, Crissanto Antonio Borges, Endler Marcel Fundacao Univ Reg Blumenau Dept Quim BR-89012900 Blumenau SC Brazil

Initially, students performed a qualitative analysis to detect the presence of oxidizing compounds in cow's milk samples. This was achieved by observing the oxidation of potassium iodide (KI) by hydrogen peroxide (H2O2). Subsequently, the concentrations of H2O2 in the milk samples were quantified using images of 96-well plates captured with a flatbed scanner. This method is straightforward, efficient, and ideal for high-throughput analysis. The RGB values from the 96-well plates were automatically extracted using the ImageJ plugin, ReadPlate. For the quantitative analysis, students explored various figures of merit, including the limit of detection (LOD), limit of quantification (LOQ), linearity, sensitivity, and recovery. Milk samples were spiked with H2O2 at three concentrations (0.03%, 0.06%, and 0.09%), and the measured concentrations in these spiked samples were compared to evaluate interclass repeatability using one-way ANOVA. Post hoc tests, including Games-Howell and Tukey, were used to identify significant differences between concentrations across the classes. Before conducting the one-way ANOVA, students assessed data normality using Q-Q plots, the Shapiro-Wilk test, and the Anderson-Darling test. They also evaluated the homogeneity of variance with Levene's and Bartlett's tests. Additionally, a two-way ANOVA was employed to analyze the effects of spiking concentrations and laboratory classes on the recovery. This analysis revealed a significant interaction between spiking concentrations and laboratory classes on recovery. All statistical tests were conducted using accessible and user-friendly freeware, providing students with practical experience in both data analysis and statistical interpretation.

关键词： Second-Year Undergraduate AnalyticalChemistry Laboratory Instruction computer-basedlearning Instrumental Methods Hands-On Learning/Manipulatives Calibration

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Teaching Adsorption Chemistry by Constructing Surface Complexation Models (SCM) in PHREEQC

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JOURNAL OF CHEMICAL EDUCATION 2024年第5期101卷 1914-1924页

作者： Bullen, Jay C. Landa-Cansigno, Oriana Weiss, Dominik J. Imperial Coll London Dept Earth Sci & Engn London SW7 2AZ England CIATEC Direcc invest & soluc tecnol Col Ind Delta Omega 201 Leon 37545 Guanajuato Mexico Dept Civil & Environm Engn Princeton NJ 08544 USA

Adsorption modeling is important to understand and predict both how water contamination occurs, and how it might be prevented or remediated. Surface complexation models (SCM) help us understand adsorption under changing environmental conditions. This computational class introduces undergraduate students to adsorption and surface complexation and provides a foundation in geochemical modeling using freely available PHREEQC software from USGS. Practical capabilities are developed by (1) performing aqueous speciation reactions, (2) determining the surface charge of suspended metal oxide/mineral powders using potentiometric titration data, (3) calculating pH adsorption edges and adsorption isotherms, (4) applying PHREEQC to answer possible water treatment scenarios, and (5) using Visual Basic coding with loops to generate large data sets. This class is contextualized around arsenic contaminated groundwater and its treatment using iron oxide minerals, with hundreds of millions at risk worldwide (e.g., India, Bangladesh, Mexico). Participants report increases in their understanding of adsorption chemistry and confidence in the application of geochemical models to perform predictive SCM calculations.

关键词： Adsorption Modeling Second-Year Undergraduate Research Environmental Chemistry computer-basedlearning Hands-On Learning Colloids Computational Chemistry Surface Science Geochemistry

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Python and Plotly Dash, A Quick and Convenient Way to Develop Web Apps for Teaching Physical Chemistry Models

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JOURNAL OF CHEMICAL EDUCATION 2024年第11期101卷 4661-4670页

作者： Lombardo, Renato Univ Palermo Dipartimento Sci & Tecnol Biol Chim & Farmaceut I-90128 Palermo Italy

Mathematical models and their corresponding graphs play a crucial role in chemistry, other scientific disciplines, and engineering by allowing for a quantitative and precise description and prediction of system behavior. However, their understanding requires a complex set of skills that go beyond simple memorization, and therefore, models and graphs can often be a difficulty for students. Interactive applications, such as dashboards, can be very useful, as they allow complex data to be displayed in a simple and understandable way, promoting a deeper understanding and improving critical thinking and problem-solving skills. The study aims to show that the python language can be used to develop such dashboards. Python is very suitable for use by nonprofessional programmers and is an excellent choice for developing educational applications. In particular, Plotly Dash is a convenient and effective tool for creating custom dashboards. Preliminary findings show that students find these interactive dashboards easy to use and beneficial for understanding complex mathematical representations, indicating their potential as valuable educational tools. Beyond this specific case, the broader impact lies in the potential of such interactive tools to support various teaching methodologies and enhance educational outcomes across diverse disciplines.

关键词： High School/Introductory Chemistry First-Year Undergraduate/General Physical Chemistry Chemoinformatics computer-basedlearning Distance Learning/Self Instruction Internet/Web-basedlearning Mathematics/Symbolic Mathematics Student-CenteredLearning

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EMMAs: Implementation and Assessment of a Suite of Cross-Disciplinary, Case-Based High School Activities to Explore Three-Dimensional Molecular Structure, Noncovalent Interactions, and Molecular Dynamics

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JOURNAL OF CHEMICAL EDUCATION 2024年第6期101卷 2436-2447页

作者： Kotsalidis, Parthena E. Kranc, Shelby N. Berryman, Martin Radhakrishnan, Mala L. Elmore, Donald E. Wellesley Coll Biochem Program Wellesley MA 02481 USA Wellesley Coll Chem Dept Wellesley MA 02481 USA Lincoln Sudbury Reg High Sch Sudbury MA 01776 USA Malden High Sch Malden MA 02148 USA

Students frequently develop misconceptions about noncovalent interactions that make it challenging for them to appropriately interpret aspects of molecular structure and interactions critical to myriad applications. We hypothesized that computational molecular modeling and visualization could provide a valuable approach to help address these core misconceptions when students are first exposed to these concepts in secondary school chemistry courses. Here, we present a series of activities exploring biomolecular drug-target interactions using molecular visualization software and an introduction to molecular dynamics methods that were implemented in secondary school classrooms. A pre- and postsurvey approach that incorporated Likert response type, written free response, and drawing-based items demonstrated that students gained an enhanced conceptualization of intermolecular interactions, particularly related to aspects of shape complementarity, after completing the activities. Students also expressed increased comfort with and facility in utilizing different three-dimensional representations of molecules in their postsurvey responses. The activities led to an increased appreciation of interdisciplinary connections of chemistry with mathematics and physics. Overall, the modular activities presented provide a relatively time-efficient and accessible manner to help promote an understanding of a traditionally challenging topic for beginning chemistry students while introducing them to contemporary research tools.

关键词： High School/Introductory Chemistry Curriculum Interdisciplinary/Multidisciplinary computer-basedlearning Molecular Dynamics Molecular Modeling NoncovalentInteractions

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Visualizing the Hydrogen Atomic Orbitals: A Tool for Undergraduate Physical Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2024年第8期101卷 3539-3546页

作者： Hanson, Matthew D. Le Moyne Coll Dept Chem Syracuse NY 13214 USA

Despite the prominence of orbitals throughout the undergraduate chemistry curriculum, high-quality visualization of atomic orbitals is out of reach for most scientists. Rigorously visualizing the atomic orbitals even for simple hydrogen-like atoms and ions is rather challenging due to the complex 3-D structure and geometric variability of the orbitals across three distinct quantum numbers. In this work, a graphical user interface (GUI)-based tool for visualizing 3-D volumetric density plots of hydrogen atomic orbitals is introduced. This tool is written in Python, and a Jupyter notebook version with explanatory blocks interspersed in the code is included for pedagogical purposes. The user can manipulate a large number of features using the GUI, which allows customization of the orbital illustrations. Because this visualizer is capable of visualizing orbitals with any quantum numbers and showing their nodal surfaces, it can serve as a supplement to students' lecture and textbook education on this topic.

关键词： First-Year Undergraduate Upper-DivisionUndergraduate Atomic Structure Quantum Chemistry computer-basedlearning

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Data Science Meets Mineral Analysis: An Innovative Laser-Induced Breakdown Spectroscopy Experiment for Undergraduate Chemistry Students

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JOURNAL OF CHEMICAL EDUCATION 2024年第7期101卷 2869-2879页

作者： Rainey, Markace A. Benda, Meghan C. Mayberry, Kaira A. Smeekens, Johanna M. Braga, Robert A. Bottomley, Lawrence A. O'Mahony, Christy M. Georgia Inst Technol Sch Chem & Biochem Atlanta GA 30332 USA Univ North Carolina Sch Med Dept Pediat Div Allergy & Immunol Chapel Hill NC 27599 USA

Laser-Induced Breakdown Spectroscopy (LIBS) is a versatile technique that can be used to determine the elemental composition of samples in all states of matter. Despite its advantages, including high sensitivity and cost-effectiveness, LIBS is often overlooked in undergraduate chemistry curricula, primarily due to perceived complexity and concerns over equipment costs. This study introduces a comprehensive LIBS laboratory experiment designed for upper-division instrumental analysis courses, focusing on hands-on learning, data science applications, and real-world analytical challenges. Students engage in experiments to determine the elemental composition of metallic alloys and minerals, utilizing Jupyter Notebooks for data analysis & horbar;a tool that has significantly improved learning outcomes and reduced misidentifications. The integration of Python programming enhances students' analytical capabilities and their perception of coding, equipping them with essential skills for handling large data sets. Furthermore, the experiment includes a depth profiling activity, emphasizing sample handling and preparing students for advanced spatial analyses. This adaptable experiment, supported by a range of preparatory materials, can easily be integrated into different institutions' curricula and offers a dry-lab option. By enabling the analysis of unprocessed samples and demonstrating LIBS' real-world applications, this study underscores the technique's relevance and potential. Its inclusion in the chemistry curriculum would better prepare students for the demands of modern chemical analysis.

关键词： Upper-Division Undergraduate AnalyticalChemistry Laboratory Instruction computer-basedlearning Distance Learning/Self Instruction Hands-OnLearning/Manipulatives Applications of Chemistry Atomic Spectroscopy Instrumental Methods LaboratoryComputing/Interfacing Laboratory Equipment/Apparatus Lasers QualitativeAnalysis Spectroscopy

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PySyComp: A Symbolic Python Library for the Undergraduate Quantum Chemistry Course

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JOURNAL OF CHEMICAL EDUCATION 2023年第10期100卷 4077-4084页

作者： Stippell, Elizabeth Akimov, Alexey V. Prezhdo, Oleg V. Univ Southern Calif Dept Chem Los Angeles CA 90089 USA SUNY Buffalo Dept Chem Buffalo NY 14260 USA

We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both time-independent and time-dependent quantum chemistry, with the latter rarely considered in the foundations course due to topic complexity. We use quantized Hamiltonian dynamics (QHD) that provides a simple extension of classical dynamics and captures key quantum effects. The PySyComp library can compute various concepts regarding the fundamental postulates of quantum mechanics, including normalized wave functions, expectation values, and commutators, which are at the core of solving the Heisenberg equations of motion. It provides a tool for students to experiment with simple models and explore the key quantum concepts, such as zero-point energy, tunneling, and decoherence.

关键词： Upper-Division Undergraduate Graduate computer-basedlearning Quantum Chemistry

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ChatGPT Needs a Chemistry Tutor Too

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JOURNAL OF CHEMICAL EDUCATION 2023年第10期100卷 3859-3865页

作者： Leon, Alfredo J. Vidhani, Dinesh Miami Dade Coll Miami FL 33135 USA Miami Dade Coll Homestead FL 33030 USA

Artificial intelligence (AI) technology has the potential to revolutionize the education sector. This study sought to determine the efficacy of ChatGPT to correctly answer questions a learner would use and to elucidate how the AI was processing potential prompts. Our goal was to evaluate the role of prompt formats, response consistency, and reliability of ChatGPT responses. Analyzing prompt format, we see that the data do not demonstrate a statistically significant difference between multiple-choice and free-response questions. Neither format achieved scores higher than 37%, and testing at different locations did not improve scores. Interestingly, ChatGPT's free version provides accurate responses to discipline-specific questions that contain information from unrelated topics as distractors, improving its accuracy over the free-response questions. It is important to consider, while ChatGPT can identify the correct answer within a given context, it may not be able to determine if the answer it selects is correct computationally or through analysis. The results of this study can guide future AI and ChatGPT training practices and implementations to ensure they are used to their fullest potential.

关键词： General Multidisciplinary computer-basedlearning Self-Instruction Web-Based Learning Assessment Student-Centered Learning

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FitNESS: An E-Learning Platform to Design Safe and Responsible Food Packaging

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JOURNAL OF CHEMICAL EDUCATION 2024年第8期101卷 3179-3192页

作者： Vitrac, Olivier Ouadi, Steward Hayert, Murielle Domenek, Sandra Cornuau, Gemma Nguyen, Phuong-Mai Univ Paris Saclay Grp Modeling & Computat Engn AgroParisTech UMR 0782Say Food Paris Saclay Food & Bioprod Engn F-91120 Palaiseau France Assoc Coordinat Tech Ind Alimentaire ACTIA F-75595 Paris France Lab Natl Metrol & Essais LNE F-78197 Trappes France

The paradoxical situation concerning packaging materials as major sources of environmental pollution and food contamination highlights the need for a comprehensive educational approach. Polymer chemistry, food technologies, and packaging education have remained compartmentalized, favoring particular viewpoints and deflecting from the overarching problems. The collaborative project FitNESS, funded by the European Commission under the ERASMUS+ program, aims to bridge this gap by providing a robust online knowledge base accessible on all screens for current and future food packaging. The goal is to raise awareness among all professions involved through basic courses and to effectively enhance the knowledge and skills of professionals or future professionals through advanced courses on health and toxicological assessment, sustainability of packaging, multiple criteria design of safe and responsible packaging, and polymer science. New circular economy practices (reduce, collect, recycle, reuse) are particularly addressed in relation to the shelf life of food products and the risks of wastage. The content of the open-source and clonable platform (https://***) stands as one of the most significant sources of educational content validated by more than a dozen European institutions, featuring online exercises and links to packaging design and calculation tools.

关键词： graduate education/research continuing education interdisciplinary chemical engineering environmentalchemistry physical chemistry polymer chemistry analytical chemistry safety/hazards internet/web-basedlearning distance learning/self-instruction computer-basedlearning problem solving/decision making agriculturalchemistry materials science transport properties mathematics/symbolic mathematics molecular modeling toxicology blended learning food packaging ecodesign interdisciplinary/multidisciplinary risk-benefit

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Chemistry Students' Artificial Intelligence Literacy through their Critical Reflections of Chatbot Responses

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JOURNAL OF CHEMICAL EDUCATION 2024年第6期101卷 2466-2474页

作者： Young, Jessica D. Dawood, Lisa Lewis, Scott E. Univ S Florida Dept Chem Tampa FL 33620 USA

Instructors use of Artificial Intelligence (AI) language models (i.e., chatbots) as an educational resource will require an understanding of students' AI literacy, namely their ability to critically reflect on the relevance, trustworthiness, and quality of these tools in the context of chemistry. This study sought to describe students' AI literacy via open-ended surveys of general chemistry I students and students in an upper-level chemistry elective. Thematic analysis was used to create a deeper understanding of chemistry students' AI literacy when considering chatbots. Based on students' responses, they were categorized as either with reservations toward chatbots or without reservations toward chatbots. Thematically, students tended to either reason with the utility/benefit of the tool or reason with concern toward the accuracy of the tool. Results suggest that students are more of a range between these two extremes. This new deeper understanding of AI literacy in chemistry can support instructional practices and inform future research efforts in AI literacy.

关键词： General Public Curriculum computer-basedlearning Equilibrium

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