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Adding a Greenhouse Gas Module to a Molecular Modeling Activity in General Chemistry

JOURNAL OF CHEMICAL EDUCATION 2023年第6期100卷 2473-2477页

作者： Demoranville, Leonard T. Fieberg, Jeffrey E. Campbell, Susan Kane, Olivia R. Wachter, Erin Young, Karin J. Ctr Coll Danville Danville KY 40422 USA Randall K Cooper High Sch Union KY 41091 USA STEM Sch Hamilton Cty Sch 4501 Amnicola Hwy Chattanooga TN 37406 USA

Climate change is a critical scientific and social issueof ourtime, yet the topic is not frequently discussed by the general ***, misconceptions about the topic persist. One importantaspect of climate change is the greenhouse effect. This activity addsa greenhouse gas discussion to an existing module about molecularshape and modeling. The module links the greenhouse effect to climatechange. The activity has been used in several introductory chemistrysettings. A discussion of student-generated answers and student-reportedlearning gains is presented.

关键词： High School Introductory Chemistry First-Year Undergraduate General Environmental Chemistry Public Understanding Outreach computer-based learning IR Spectroscopy MolecularModeling Molecular Properties Structure Spectroscopy VSEPR Theory

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Testing the Ability of Protein-Protein Docking Programs to Model Known Complexes: A Project for the Biochemistry Classroom

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JOURNAL OF CHEMICAL EDUCATION 2023年第10期100卷 3968-3973页

作者： Frank, Lauren E. Koehler, Blaise R. Yoder, Ryan J. Bouley, Renee A. Ohio State Univ Dept Chem & Biochem Marion OH 43302 USA

Protein structure and function are important concepts in the biochemistry curriculum. A three-part CURE was developed to be used in an undergraduate biochemistry course that enhances student learning of these aspects in addition to practicing oral and written communication skills. Students used three protein-protein docking programs (PRISM, InterPred, and ZDOCK) to recreate known protein complexes and then compared the accuracy of the results of each program. This was accompanied by an individual written report and finalized by an oral group presentation to the class. The majority of feedback from students was positive, revealing that students found that the project helped them to apply the concepts learned in class and become more comfortable with scientific writing.

关键词： Upper-Division Undergraduate Biochemistry computer-based learning Communication Writing Molecular Modeling Noncovalent Interactions Proteins

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Is Chemical Density Important to Nursing Education? A 2D Virtual Lab and a PERCEIVE Demonstration

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JOURNAL OF CHEMICAL EDUCATION 2023年第5期100卷 2057-2066页

作者： Mahaffey, Angela L. Loyola Univ Chicago Marcella Niehoff Sch Nursing Chicago IL 60660 USA

Chemistry topics are ubiquitous in healthcare diagnostics as well as health professions undergraduate curricula. However, there are limited correlations between chemistry and healthcare made in textbooks or template lecture materials. For undergraduate nursing students (BSN) enrolled in a Chemistry for Health Professions course, the author (and instructor) developed a didactic, digital, interactive, and experiential learning series for the students to explore one chemical topic, density, and examine its importance to nursing education. This article outlines the first of several PERCEIVE (Preparing Engaging Real-time Chemical Education Interactive and Visual Examples) chemical education demonstrations offered to undergraduate nursing students. Following a lecture on chemical density, >162 students completed a series of questionnaires on a 2D virtual lab exercise on "Identifying Metals" via their mobile phones and QR codes, then observed an in-class demonstration on "Density in Health". The respondents highly recommended the in-class PERCEIVE demonstration for future undergraduate health professions courses and noted this added visualization aided in their ability to bridge the two concepts: density and healthcare diagnostics. Additional qualitative survey results for the lab and demonstration are discussed in this manuscript. As to the question, "Is Chemical Density Important to Nursing Education?", 98.77% of 162 student respondents agreed this concept is an important component of nursing education.

关键词： First-Year Undergraduate General computer-based learning Inquiry-based learning Nonmajor Courses

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Rediscovering the Particle-in-a-Box: Machine learning Regression Analysis for Hypothesis Generation in Physical Chemistry Lab

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JOURNAL OF CHEMICAL EDUCATION 2023年第12期100卷 4933-4940页

作者： Thrall, Elizabeth S. Lopez, Fernando Martinez Egg, Thomas J. Lee, Seung Eun Schrier, Joshua Zhao, Yijun Fordham Univ Dept Comp & Informat Sci New York NY 10023 USA Fordham Univ Dept Chem The Bronx NY 10458 USA

Given the growing prevalence of computational methods in chemistry, it is essential that undergraduate curricula introduce students to these approaches. One such area is the application of machine learning (ML) techniques to chemistry. Here we describe a new activity that applies ML regression analysis to the common physical chemistry laboratory experiment on the electronic absorption spectra of cyanine dyes. In the classic version of this experiment, students collect experimental spectra and interpret them using the Kuhn free electron model, based on the quantum mechanical particle-in-a-box (PIB). Our new computational activity has students train regression models of increasing complexity to predict the wavelength of maximum absorption for different cyanine dyes using a set of 13 molecular features. In addition, the activity introduces methods for evaluating and interpreting regression models. Ultimately, students are prompted to use their regression analysis results to generate hypotheses for what molecular properties underlie cyanine dye absorption, leading them naturally to the PIB model. In this report, we provide a data set, reference code implementations in Mathematica and Python notebooks, and an example lab protocol with an introduction to cyanine dyes and ML techniques. This activity can be completed in a single 3-h lab period by upper-level undergraduate students with relatively little prior programming experience. Although intended to complement the experimental measurement of cyanine dye spectra, this activity can also be performed on its own;alternatively, it can form the basis of more involved projects in a computational chemistry or ML course.

关键词： Upper-Division Undergraduate Physical Chemistry computer-based learning ComputationalChemistry Machine learning Spectroscopy Cyanine

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How Partial Anonymity May Reduce Students? Anxiety During Remote Active learning?A Case Study Using Clubhouse

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JOURNAL OF CHEMICAL EDUCATION 2023年第2期100卷 459-468页

作者： Yep, Benjamin L. W. Tan, Teck Kiang Fung, Fun Man Natl Univ Singapore Dept Chem Singapore 117543 Singapore Natl Univ Singapore Coll Humanities & Sci Singapore 119077 Singapore Natl Univ Singapore Inst Appl Learning Sci & Educ Technol ALSET Singapore 119077 Singapore

Active learning, a common practice in higher education, has been shown to promote higher order thinking and skills. Class discussions have been chosen to be the medium to incorporate active learning in schools' curriculum. However, the rate of class participation could be low for certain courses. Literature has shown that the fear of negative evaluation from peers is the most common reason as to why students choose not to partake in class discussions. Anonymity via clickers or applications such as Kahoot! has shown to be useful in reducing students' anxiety and increasing class participations. However, this is not a viable method to employ if vocal discussion is required for the course. Here, partial anonymity (voice only), Speak Your Mind, was applied into an environmental chemistry course with 20 students in the National University of Singapore (NUS) to study its correlation with students' anxiety and class participation. Participants survey results suggested that a reason for not participating in class discussions was the fear of being judged by their peers. Remote learning was conducted due to COVID-19 and partial anonymity was obtained by a proxy application: Clubhouse. This application allowed students to partake in a podium discussion while maintaining psychological safety via partial anonymity. Participants survey responses indicated that partial anonymity reduced their anxiety (Cohen's d = 0.58) and slightly increased their self-reported class participation rate (Cohen's d = 0.21);it was noted that partial anonymity did not have much effect on their fears of being judged if they provided the wrong answer (Cohen's d = 0.11).

关键词： general public continuing education upper-division undergraduate environmental chemistry collaborative cooperative learning computer-based learning inquiry-based discovery learning problem solving decision making atmospheric chemistry geochemistry

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Embodying empathy: using game design as a maker pedagogy to teach design thinking

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TECHNICAL COMMUNICATION QUARTERLY 2023年第2期32卷 181-195页

作者： Colby, Rebekah Shultz Univ Denver Denver CO 80208 USA

This article argues that game design can be used to teach design thinking within a pedagogy of making. It analyzes qualitative survey responses from 12 writing teachers who asked students to design social justice games and argues that games not only give students practice in design thinking but that, as multimodal, embodied systems, games can enact social theories and, as such, be a way for students to empathize with and design for wicked social problems.

关键词： computer-based learning critical theory pedagogical theory rhetoric of technology social theory usability studies

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Hybridizing Real and Virtual Experiences: Inquiry-based learning Activities to Explore Surface Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2023年第9期100卷 3364-3373页

作者： Wong, Kong-Ching Knutzen, K. Brant Ip, Ignatius Li, Steve Po-Yam Univ Hong Kong Dept Pharmacol & Pharm Pokfulam Hong Kong 999077 Peoples R China

Surfacechemistry is a challenging realm for most students becauseof its abstract nature and numerous associated mathematical *** we report a set of dedicated sequential inquiry-based learning(IBL) activities enriched with virtual laboratory learning and hands-oninstructions. The activities were intended to help students graspabstract concepts and understand the mathematical equations relatedto surface chemistry. The activities included two methods for measuringsurface tension: the capillary rise method and the drop weight *** addition, students were guided to observe the adsorption phenomenonand critical micelle concentration (CMC). The activities were implementedin a second-year pharmaceutical chemistry course for pharmacy undergraduatestudents. Feedback from the students indicated that the activitiescould nurture their interest in the topics. Moreover, we have proventhat hybridizing virtual learning and hands-on learning in IBL isviable and could offer positive effects on students' *** advocate the use of virtual laboratories to support IBL activitiesin the postpandemic era.

关键词： Second-Year Undergraduate Physical Chemistry computer-based learning Inquiry-based Discoverylearning Surface Science

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Unpacking Chemistry Teachers? Pedagogical Reasoning and Decisions for a PhET Simulation: A TPACK Perspective

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JOURNAL OF CHEMICAL EDUCATION 2023年第1期100卷 34-44页

作者： Gong, Xiaoyang Wei, Bing Bergey, Bradley W. Shockley, Ebony Terrell Tianjin Normal Univ Fac Educ Tianjin 300387 Peoples R China CUNY Queens Coll Dept Secondary Educ & Youth Serv New York NY 11367 USA Univ Maryland Coll Educ College Pk MD 20742 USA

computer simulations hold great potential for enhancing chemistry instruction. However, effectively integrating simulations in instruction depends in part on teachers' pedagogical reasoning about simulation affordances and instructional decisions within specific classroom contexts. The objective of this study was to investigate how two chemistry teachers evaluated an interactive simulation and determined pedagogical strategies for integrating the simulation into classroom instruction. based on the TPACK framework, authors adopted a comparative case study approach to interpret qualitative data from three sources: screen-capture videos, interviews, and instructional plans. Results showed that pedagogical reasoning and decisions of the two participants reflected different TPACK components. One teacher mainly utilized TCK and evaluated the simulation from a designer's perspective while the other teacher leveraged TPACK and reasoned from a learner's perspective. The two teachers' reasoning processes further shaped their decisions about how to integrate the simulation in instruction, which displayed TPK and TPACK. One teacher intended to provide students with careful guidance by constraining system variables while the other favored more open-ended exploration. Results suggest that teacher knowledge, pedagogical reasoning, and decisions are closely intertwined, which provide implications for future research.

关键词： Chemical Education Research computer-based learning Equilibrium Reactions High School Introductory Chemistry

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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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Taking School Instrumentation One Step Forward: A Do-It-Yourself Type Spectrophotometer and a Jupyter Notebook That Enable Real Time Spectroscopy during School Lessons

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JOURNAL OF CHEMICAL EDUCATION 2023年第7期100卷 2704-2712页

作者： Mitsioni, Marianna Fanouria Stouras, Miltiadis Makedonas, Christodoulos Evangeliki Model High Sch Smyrna Nea Smyrni 17123 Greece

A major obstacle that teachers face when they begin theirspectroscopylessons is the lack of a spectrophotometer, mostly due to its relativelyhigh cost. In the present study, the construction of a low-cost do-it-yourselftype of instrument is reported. Its construction, as a part of a problem-basedscenario, would also help students to enhance their chemical ***, the creation of a Jupyter Notebook called "Spectrophotometry"is also described. With this tool, students and teachers, within afew clicks, will derive absorption and fluorescence spectra and dokinetics studies without any difficulty and the need for time-consumingdata postprocessing software. Finally, the views of a group of studentson the construction and ease of use of our spectrophotometer are discussedin detail.

关键词： High School Introductory Chemistry First-Year Undergraduate General Demonstrations Laboratory Instruction PublicUnderstanding Outreach Collaborative Cooperative learning computer-based learning Hands-On learning Manipulatives Inquiry-based Discovery learning Applications of Chemistry Fluorescence Spectroscopy Spectroscopy UV-visSpectroscopy

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