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Comment on "Comparing the Performance of College Chemistry Students with ChatGPT for Calculations Involving Acids and Bases"

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JOURNAL OF CHEMICAL EDUCATION 2024年第5期101卷 1782-1784页

作者： Schrier, Joshua Fordham Univ Dept Chem & Biochem Bronx NY 10458 USA

In a recent paper in this Journal (), Clark et al. evaluated the performance of the GPT-3.5 large language model (LLM) on ten undergraduate pH calculation problems. They reported that GPT-3.5 gave especially poor results for salt and titration problems, returning the correct results only 10% and 0% of the time, respectively, and that, despite a correct application of heuristics, the LLM made mathematical errors and used flawed strategies. However, these problems are partially mitigated using the more advanced GPT-4 model and entirely corrected using simple prompting and calculator tool use patterns demonstrated herein.

关键词： General Public High-School/Introductory Chemistry First-Year Undergraduate/General Second-Year Undergraduate internet/web-based learning Misconceptions Problem-Solving/Decision Making Testing/Assessment Acids/Bases pH Generative AI LargeLanguage Models ChatGPT GPT-4

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PLATA: Design of an Online Platform for Chemistry Undergraduate Fully Automated Assignments

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JOURNAL OF CHEMICAL EDUCATION 2024年第3期101卷 1024-1035页

作者： Reina, Miguel Guzman-Lopez, Eduardo Gabriel Guzman-Lopez, Cesar Hernandez-Garciadiego, Carlos Olvera-Leon, Maria de los Angeles Garcia-Carrillo, Mario Alfredo Tafoya-Rodriguez, Marco Antonio Ugalde-Saldivar, Victor Manuel Guerrero-Rios, Itzel Gasque, Laura del Campo, Jorge M. Franco-Bodek, Daniela Bernal-Perez, Rolando Medeiros, Milton Marin-Becerra, Armando Garcia-Ortega, Hector Gracia-Mora, Jesus Reina, Antonio Univ Nacl Autonoma Mexico Fac Quim Dept Quim Inorgan & Nucl Ciudad De Mexico 04510 Mexico Univ Autonoma Metropolitana Dept Quim Unidad Iztapalapa Ciudad De Mexico 09340 Mexico Univ Nacl Autonoma Mexico Inst Matemat Ciudad De Mexico 04510 Mexico Univ Nacl Autonoma Mexico Fac Quim Dept Quim Organ Ciudad De Mexico 04510 Mexico Univ Nacl Autonoma Mexico Fac Quim Dept Fis & Quim Teor Ciudad De Mexico 04510 Mexico Univ Nacl Autonoma Mexico Fac Quim Dept Quim Analit Ciudad De Mexico 04510 Mexico Univ Nacl Autonoma Mexico Fac Quim Secretaria Acad Docencia Ciudad De Mexico 04510 Mexico Univ Nacl Autonoma Mexico Fac Quim Dept Fisicoquim Ciudad De Mexico 04510 Mexico

In the Digital Era, the development of new educational instruments is crucial for supporting students in their academic journey. While there is a significant correlation between homework and learning, the effectiveness of assignments is often constrained by the large number of students and the extensive grading required by teachers. In this context, open educational resources (OER), particularly those built on the free and open-source Moodle platform, have shown increased learning among students, becoming valuable instruments for educators. Automated chemistry assignments are challenging, in contrast to physics or mathematics. This is due to the necessity of accounting for the vast yet finite universe of existing molecules, compounds, and reactions along with the inherent constraints imposed within the field. In this article we present PLATA (Programa en Linea de Apoyo a las Tareas Academicas), a Moodle based OER for automated chemistry homework implemented at Facultad de Quimica at UNAM. PLATA is an online platform with more than 132 million open answer exercises (not multiple choice) automatically graded with specific feedback for each exercise attempt. The design and characteristics of the program, some examples showing its versatility, and the outstanding students' outcomes of the OER are presented. PLATA has been used by more than 15,500 students over the past 4 years. The results displayed correspond to the 2022 academic year, with more than 3,200 students, from which 500 undergraduates answered an exit survey, and we monitored the outcomes of 400 students. As a result, we can state that PLATA is a versatile, useful, and robust program for chemistry assignments with a positive impact on students' learning.

关键词： General Public Inorganic Chemistry Computer-basedlearning internet/web-based learning Student-Centeredlearning Professional Development Testing/Assessment

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Personalized System of Instruction for the Foundational Knowledge of Organic Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2024年第6期101卷 2381-2388页

作者： Tay, Gidget C. Pasadena City Coll Chem Dept Pasadena CA 91106 USA

The topics of general chemistry review, molecular representations, acids and bases, alkanes, stereoisomerism, chemical reactivity, and general mechanistic arrow pushing were presented through a personalized system of instruction (PSI) at the beginning of the first semester of organic chemistry. Students were required to demonstrate proficiency of the material by passing an assessment that could be taken multiple times, before moving on to the next concept. They were allowed to advance at their own pace and take the time they needed to understand a topic before proceeding on to the next concept. Students reported that the PSI encouraged the development of better study habits. Students enrolled in the PSI course had higher pass rates for the first semester of organic chemistry. Greater positive results were seen long-term when tracking student progress to the end of the year-long organic chemistry sequence. Specifically, in the second semester of organic chemistry, pass rates increased (100% vs 83%), and end-of-term grades were higher. Average scores on the cumulative ACS 2020 Organic Chemistry Exam were also 46% higher than the preliminary national norms.

关键词： Second-Year Undergraduate Organic Chemistry internet/web-based learning Distance learning/SelfInstruction

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Authoring a TopHat E-Book from Existing Videos: An Explanation and Results from Two Years of Flipping an Organic Chemistry Course

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JOURNAL OF CHEMICAL EDUCATION 2024年第6期101卷 2540-2548页

作者： Christiansen, Michael A. Colver, Mitchell Thurston, Travis N. Lewis, Meghan Beales, Joseph L. Utah State Univ Vernal UT 84078 USA Utah State Univ Logan UT 84322 USA

During six years of flipping college organic chemistry with a combination of online videos and assigned textbook readings, students sometimes complained when the content coverage and quality differed between the book and videos, obliging students to "hunt" through both resources. As educational tools, videos can leverage the dual-channel visual/auditory centers of the human brain. However, videos do not have the searchable elements of print textbooks and can only be read through closed captioning, limiting accessibility for those with hearing loss. Separately, print texts have the advantage of physical tactility but lack audio, online accessibility, or the lightweight portability of modern electronics. Thus, to develop a better combination of both mediums, we created a book with content identically matching an updated video library. This was done in eight months from the videos by using an online software called Maestra to produce a written transcript, which was edited and converted to a digital "e-book" using the TopHat interface. Although prior publications in this Journal have discussed TopHat e-books, none have explained how to create one. This report provides clear instructions and video references on how to do this, along with structural details about our e-book and how it was integrated into two full-year iterations of college organic chemistry. Themes from anonymous student feedback are also discussed, including strengths and weaknesses of this specific e-book design and the use of TopHat generally, in anticipation of establishing patterns of best teaching practices with e-book platforms in flipped chemistry courses.

关键词： Second-Year Undergraduate Organic Chemistry internet/web-based learning Textbooks/Reference Books

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Assessing Biases in the Names Generated by Generative Artificial Intelligence Chatbots

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JOURNAL OF CHEMICAL EDUCATION 2024年第12期101卷 5142-5146页

作者： Mirowsky, Jaime E. SUNY Coll Environm Sci & Forestry Chem Dept Syracuse NY 13210 USA

Generative artificial intelligence (GenAI) is becoming more prevalent in higher education, and with that comes opportunities and challenges. One opportunity is using this technology to help create educational material, but one challenge is that the output of these tools might produce biased content. Thus, for this work, three text-based GenAI tools (ChatGPT-4o, Microsoft Copilot, and Google Gemini) were used to develop an activity for an analytical chemistry laboratory course. In each response, the student names provided by the chatbots were quantified with respect to gender and broadly assessed for cultural representation. All three chatbots generated an equal percentage of female ("she/her") and male ("he/him") student names, but none of the chatbots used "they/them" pronouns, signaling a lack of inclusivity for nonbinary, gender-neutral, or gender-nonconforming individuals. The names provided by the chatbots were dominated by those popular in English-speaking countries, highlighting a lack of cultural diversity in the output provided. Both these biases could be mitigated by asking that the chatbots provide gender-inclusive names and names that represent diverse cultural backgrounds. As educators begin to utilize GenAI tools to create classroom materials or have students use this technology in their assignments, it is important to think about the potential biases that might emerge, share this limitation with those using these tools, and work to not perpetuate them.

关键词： General Public internet/web-based learning Women in Chemistry

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Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course

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JOURNAL OF CHEMICAL EDUCATION 2023年第11期100卷 4287-4297页

作者： Fink, Fabian Hoffmann, Alexander Herres-Pawlis, Sonja Rhein Westfal TH Aachen Inst Inorgan Chem D-52074 Aachen Germany

As ongoing digitalization accelerates the execution of experiments and the documentation and storage of the corresponding data substantially, appropriate research data management (RDM) is a necessity to enable sustainable research at all. Consequently, a rethinking is currently taking place in academia. This process becomes visible by the utilization of electronic laboratory notebooks (ELNs) for documentation, the publication of research data in repositories, or the publishers' requirement for authors to provide a data availability statement. Despite the growing awareness of RDM in academia, the integration of the topic into curricula of chemistry studies is, if at all, in its infancy. As an initial example of incorporating RDM into curricula, an ELN was implemented in an advanced inorganic lab course for upper-division undergraduate students three years ago, supported by learning materials on RDM in general. A survey among the students helped, first, tracking the implementation of the ELN and the integration of RDM and, second, improving teaching materials and concepts. The three-year follow-up shows a growing awareness of RDM and higher acceptance toward ELNs among the students. The survey results highlight the need for and progress in teaching RDM in an early stage of chemistry studies already. Moreover, the possibility to integrate the topic here as a hands-on experience is a facile method for fast integration into teaching without changing the complete curricula.

关键词： Upper-Division Undergraduate Chemoinformatics Curriculum Inorganic Chemistry Hands-on learning internet/web-based learning Laboratory Computing/Interfacing Standards National/State

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Design and Implementation of an Accessible and Open-Sourced In Silico Drug Screening Activity for Cancer Drug Discovery

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JOURNAL OF CHEMICAL EDUCATION 2023年第10期100卷 4125-4130页

作者： Fikes, Audrey G. Srougi, Melissa C. North Carolina State Univ Chem Life Program Raleigh NC 27695 USA North Carolina State Univ Dept Chem Raleigh NC 27695 USA North Carolina State Univ Biotechnol Program Raleigh NC 27695 USA North Carolina State Univ Dept Mol Biomed Sci Raleigh NC 27695 USA

The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development. Here we report the design and use of a molecular docking activity for cancer drug discovery for users that requires minimal coding knowledge. Although used in a drug discovery context, this activity can be incorporated into a range of undergraduate/graduate chemistry and biochemistry courses either as a stand-alone activity or integrated into existing curricula. The activity uses AutoDock Vina, AutoDockTools, Strawberry Perl, and PyMOL, all of which are free, open-source software. The activity is used to carry out molecular docking of multiple ligands at once and predict the binding energy of hits identified from a high-throughput drug repurposing screen against a target enzyme overexpressed in human tumors. Students analyze their docking results to determine drugs that should go on to further in vitro testing based on the predicted noncovalent ligand-protein interactions. This activity serves as an introduction to molecular docking and as a review of intermolecular forces, highlighting their importance in biological fields.

关键词： Graduate Education/Research Upper-Division Undergraduate Interdisciplinary/Multidisciplinary Biochemistry Chemoinformatics Computer-based learning internet/web-based learning Biotechnology Drugs/Pharmaceuticals Molecular Modeling

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Outcomes from Online vs Face-to-Face learning in General Chemistry: A Natural Experiment

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JOURNAL OF CHEMICAL EDUCATION 2023年第11期100卷 4261-4269页

作者： Rojas, Nina Rosario L. Ateneo Manila Univ Dept Chem Quezon City 1108 Philippines

Can online learning strategies in general chemistry work as well as learning in an on-site classroom? As the COVID-19 pandemic restrictions eased in 2022, a cohort of first-year Chemistry majors took a general chemistry lecture course in hybrid mode: learning activities were undertaken online using a flipped classroom approach, while formal summative assessments were administered in-person. This "natural experiment" allowed comparison of this cohort's test results with those of prepandemic cohorts who took the course fully on-site. Final examination scores from a typical 2 h, proctored, closed-notes, and multiple-choice examination were compared with results from the prepandemic 2019 class and a class that used a similar "atoms first" topic sequence in 2015. All three sets of scores were similar, with means within the 95% confidence interval (standard error of the mean). Distributions of the scores showed similar medians, with overlapping second to third quartile ranges. Student perceptions of learning were surveyed using Student Assessment of learning Gains (SALG) instruments. The survey results averaged from "good gain" to "great gain" across all course learning outcomes. Students rated the following resources as most helpful to their learning: (1) online quizzes with multiple attempts and immediate feedback, and (2) interactive anonymous recitation and discussion in synchronous class sessions using the web-based interactive presentation and audience response application Mentimeter. These emphasize the value of low-stakes learning from mistakes, contingent teaching, inclusivity, and the facilitation of metacognition. This "natural experiment", arising from pandemic-related challenges, shows that online classes using active learning strategies can be as effective as face-to-face classes.

关键词： First-Year Undergraduate/General Interdisciplinary/Multidisciplinary internet/web-based learning Multimedia-based learning Testing/Assessment

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Density Functional Calculations on H2 Using 1s Slater Type Orbitals

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JOURNAL OF CHEMICAL EDUCATION 2023年第1期101卷 172-180页

作者： Rangkuti, Choirun Nisaa Faniandari, Suci Suparmi, A. Sarwono, Yanoar Pribadi Natl Res & Innovat Agcy BRIN Res Ctr Quantum Phys SouthTangerang 15314 Indonesia Univ Sebelas Maret Fac Math & Nat Sci Dept Phys Surakarta 57126 Indonesia

As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT concepts is through illustrative examples that are currently lacking in available resources. In this work, we demonstrate total energy calculations for H-2 using 1s Slater type orbitals (STOs) within the framework of DFT. The molecular orbitals are constructed from a linear combination of 1s STOs centered on each atom. Using the Kohn-Sham equation, an equivalent expression for total energy, based on Kohn-Sham orbital eigenvalues, is given, aligning with that of the Hartree-Fock method. Detailed evaluations of Slater and X-Alpha exchange energies are presented along with a plotted potential energy surface and variations in density. Comparison with STO-nG basis sets not only supports the current work but also demonstrates the superiority of 1s STO over them. These features are included in the H-2 Jupyter Notebook which is freely accessible at https://***/choirunnr/dft-h2-1s. Additionally, the H-2 Jupyter Notebook was assessed for its implementation, receiving largely positive responses. Consequently, this work offers a valuable complement to existing teaching resources and strategy.

关键词： Upper-Division Undergraduate Physical Chemistry Computer-based learning internet/web-based learning Quantum Chemistry

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Leveraging ChatGPT for Enhancing Critical Thinking Skills

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JOURNAL OF CHEMICAL EDUCATION 2023年第12期100卷 4876-4883页

作者： Guo, Ying Lee, Daniel Georgia Gwinnett Coll Sch Sci & Technol Dept Chem Lawrenceville GA 30043 USA George Walton Comprehens High Sch STEM Acad Marietta GA 30062 USA

This article presents a study conducted at Georgia Gwinnett College (GGC) to explore the use of ChatGPT, a large language model, for fostering critical thinking skills in higher education. The study implemented a ChatGPT-based activity in introductory chemistry courses, where students engaged with ChatGPT in three stages: account setup and orientation, essay creation, and output revision and validation. The results showed significant improvements in students' confidence to ask insightful questions, analyze information, and comprehend complex concepts. Students reported that ChatGPT provided diverse perspectives and challenged their current ways of thinking. They also expressed an increased utilization of ChatGPT to enhance critical thinking skills and a willingness to recommend it to others. However, challenges included low-quality student comments and difficulties in validating information sources. The study highlights the importance of comprehensive training for educators and access to reliable resources. Future research should focus on training educators in integrating ChatGPT effectively and ensuring student awareness of privacy and security considerations. In conclusion, this study provides valuable insights for leveraging AI technologies like ChatGPT to foster critical thinking skills in higher education.

关键词： General Public First-Year Undergraduate/General Curriculum Interdisciplinary/Multidisciplinary Computer-based learning internet/web-based learning Student-Centered learning

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