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Effect of computer Simulations on Student Ability to Translate Chemical Representations When learning the Particulate Nature of Matter Concept

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JOURNAL OF CHEMICAL EDUCATION 2024年第10期101卷 4149-4160页

作者： Hu, Bokai Zhu, Liying Bi, Hualin Shandong Normal Univ Coll Chem Chem Engn & Mat Sci Jinan 250014 Shandong Peoples R China Zhejiang Normal Univ Coll Educ Jinhua 321004 Zhejiang Peoples R China

The particulate nature of matter (PNM) concept poses a significant challenge for numerous students, primarily because it is abstract and difficult to visualize. computer simulations (CSs) can aid students in visualizing microscopic particles using particle models. Despite the wide use of CSs in the development of student understanding of the submicroscopic representation of particles, for topics such as PNM, additional representations such as macroscopic and symbolic representations are typically present, which add additional complexity. Facilitating students' meaningful understanding of the PNM requires careful scaffolding to help them establish interconnections and transformations among different chemical representations. This study describes the development and testing of activities that use CSs to introduce PNM concepts. The findings revealed that CSs significantly enhanced middle school students' proficiency in translating between various kinds of chemical representations when learning the PNM concept. Specifically, their competence in translating between macroscopic and submicroscopic representations was significantly improved, while their understanding of symbolic and submicroscopic representations was moderately improved. We hypothesize that engaging with CSs provides a more comprehensive particle model that incorporates diverse dimensions and offers students a modeling process. This study proposes implications for incorporating CSs during instruction and provides evidence-based support for how CSs could be useful in promoting chemical representations of topics related to the PNM.

关键词： Middle School Science Public Understanding computer-based learning Molecular Modeling

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Workshop on computer Vision for Bioanalytical Chemists: Classification and Detection of Amoebae Using Optical Microscopy Image Analysis with Machine learning

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JOURNAL OF CHEMICAL EDUCATION 2023年第2期100卷 539-545页

作者： Zhang, Baosen Frkonja-Kuczin, Ariana Duan, Zhong-Hui Boika, Aliaksei Univ Akron Dept Chem Akron OH 44325 USA Univ Akron Dept Comp Sci Akron OH 44325 USA

computer vision (CV) is a subfield of artificial intelligence (AI) that trains computers to understand our visual world based on digital images. There are many successful applications of CV including face and hand gesture detection, weather recording, smart farming, and self-driving cars. Recent advances in computer vision with machine learning (ML) provide a new avenue for microbiological analysis. ML has been proven efficient and precise due to its automatic analysis of the geometric features and texture of organisms in optical microscopy images. This work describes a workshop that teaches basics of CV using ML (image classification, object detection) using Python notebook examples in Google Colab and Jetson Nano. The workshop is designed for senior undergraduate or beginning graduate chemistry students who would like to learn how to classify and detect microorganisms such as amoebae. The workshop content includes three sections: image classification with convolutional neutral netowork (CNN) in Google Colab, object detection with Mask R-CNN in Google Colab, and object detection with SSD-mobilenet in Jetson Nano.

关键词： Undergraduate Graduate Students Chemistry Microbiology computer-based learning Convolutional Neural Networks Artificial Intelligence Naegleria fowleri Amoeba proteus

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computer-based learning: Interleaving whole and sectional representation of neuroanatomy

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ANATOMICAL SCIENCES EDUCATION 2013年第1期6卷 11-18页

作者： Pani, John R. Chariker, Julia H. Naaz, Farah Univ Louisville Lab Visual Spatial Learning Dept Psychol & Brain Sci Coll Arts & Sci Louisville KY 40292 USA

The large volume of material to be learned in biomedical disciplines requires optimizing the efficiency of instruction. In prior work with computer-based instruction of neuroanatomy, it was relatively efficient for learners to master whole anatomy and then transfer to learning sectional anatomy. It may, however, be more efficient to continuously integrate learning of whole and sectional anatomy. A study of computer-based learning of neuroanatomy was conducted to compare a basic transfer paradigm for learning whole and sectional neuroanatomy with a method in which the two forms of representation were interleaved (alternated). For all experimental groups, interactive computer programs supported an approach to instruction called adaptive exploration. Each learning trial consisted of time-limited exploration of neuroanatomy, self-timed testing, and graphical feedback. The primary result of this study was that interleaved learning of whole and sectional neuroanatomy was more efficient than the basic transfer method, without cost to long-term retention or generalization of knowledge to recognizing new images (Visible Human and MRI). Anat Sci Educ. (c) 2012 American Association of Anatomists.

关键词： neuroanatomy education interleaving transfer of learning computer-assisted instruction computer-based learning instruction 3D graphics generalization

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SymmSpec: An Interactive Python Tool for Predicting IR and Raman Activity for Undergraduate Inorganic Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2025年第2期102卷 644-653页

作者： Ayeni, Olajumoke Mary Migliaro, Ignacio Omary, Mohammad A. Atkinson, Molly B. Univ North Texas Dept Chem Denton TX 76201 USA

In undergraduate inorganic chemistry, group theory and symmetry principles are used to understand vibrational modes, predict infrared (IR) and Raman bands, and accurately assign and interpret observed spectra. As a fundamental component of undergraduate inorganic chemistry education, group theory provides a foundation for understanding the bonding and spectroscopic features of molecules via symmetry operations. Students are traditionally instructed to visualize symmetry operations using three-dimensional inorganic model kits or as mental visualizations. This often leads to challenges with understanding connections between their visualizations and the associated abstract mathematics contributing to these operations to deduce the vibrational modes and their IR and Raman activity en route to the correct interpretation of the vibrational spectra. With the rising demand to integrate computational coding into undergraduate chemistry curricula to help prepare chemists for the workforce, an interactive notebook, hosted on Google Colaboratory and employing Python programming language, was developed for undergraduate students enrolled in Advanced Inorganic Chemistry. The developed notebook, SymmSpec, uses group theory to predict the IR and Raman activity of VSEPR molecules. With an aim to enhance student understanding of the complex underlying concepts of group theory while also adding introductory elements of computational coding to the curriculum, SymmSpec has been developed to aid undergraduate inorganic students in the visualization of abstract, mathematically based concepts relevant to molecular symmetry. Students enrolled in an Advanced Inorganic Chemistry course at a large research institution were recruited to participate, use the tool, and respond to a survey of their experience.

关键词： Upper-Division Undergraduate Inorganic Chemistry computer-based learning Computational Chemistry Group Theory/Symmetry IR Spectroscopy RamanSpectroscopy VSEPR Theory

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Reinforcing Protein Biochemistry: A Two-Week Experiment Studying Iron(III) Binding by the Transferrin Protein through Stoichiometric Determination, Stability Analysis, and Visualization of the Binding Site

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JOURNAL OF CHEMICAL EDUCATION 2024年第4期101卷 1656-1664页

作者： Benjamin-Rivera, Josue A. Otero, Mariela Perez Tinoco, Arthur D. Univ Puerto Rico Dept Chem Rio Piedras PR 00931 USA Univ Puerto Rico Dept Biol Rio Piedras PR 00931 USA

The two-week protein biochemistry experience described herein focuses on reinforcing key biochemical concepts and achieving significant learning domain accomplishments for students (Content Knowledge, Logical Mathematical Reasoning, Visualization, Information Literacy, and Knowledge Integration) and valuable teaching opportunities for instructors. The experience encompasses an exploration of the transport protein serum transferrin as an important regulator of Fe(III) biochemistry and incorporates techniques to assess protein-metal stoichiometry and protein stability and to perform molecular visualization. Students gain practical experience in utilizing spectrophotometric analysis for constructing stoichiometric curves, in performing urea-PAGE, and in applying the PyMOL program to evaluate metal coordination at a protein binding site and the associated protein structural change. The learning and teaching accomplishments provide valuable skills that can be extended into research and translated to other teaching formats.

关键词： Upper-Division Undergraduate Biochemistry Laboratory Instruction computer-based learning Hands-On learning Coordination Compounds Electrophoresis Proteins Quality Analysis UV-Vis Spectroscopy Metal Binding Site Transferrin ConformationChange Urea-PAGE Stoichiometry PyMOL

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Exploring the Inductive Effect through Computational Modeling: A General and Organic Chemistry Lab Experiment

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JOURNAL OF CHEMICAL EDUCATION 2024年第7期101卷 2815-2822页

作者： Stepanova, Valeria A. West, Joseph K. Viterbo Univ Dept Biol Biochem & Neurosci La Crosse WI 54601 USA Winona State Univ Dept Chem Winona MN 55987 USA

A straightforward, laptop-friendly computational chemistry laboratory exercise has been developed that facilitates students' understanding of the inductive effect. Students implement DFT modeling of acetic acid and its methyl and fluoro analogues: trifluoroacetic, fluoroacetic, propanoic, and 2,2-dimethylpropanoic (pivalic) acids, all at a modest level of theory (revPBE/6-31G*). Individually, students complete all computational aspects in similar to 45 min using a quad-core laptop computer. Students analyze carbonyl (C=O) vibrational frequencies, C=O bond lengths, and Mulliken charges for the acidic hydrogen in each structure. Students use collected data to compare with literature pK(a) values to identify trends of chemical properties (i.e., acidity) and electronic effects (i.e., electron-donating and -withdrawing groups).

关键词： First-Year Undergraduate Second-Year Undergraduate General Chemistry Organic Chemistry computer-based learning Carboxylic Acids Computational Chemistry IR Spectroscopy Molecular Modeling Molecular Properties

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External post-mortem examination in virtual reality-scalability of a monocentric application

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INTERNATIONAL JOURNAL OF LEGAL MEDICINE 2024年第5期138卷 1939-1946页

作者： Klus, Christina Krumm, Katja Jacobi, Sindy Willemer, Marie-Christin Daub, Charlotte Stoevesandt, Dietrich Metzler, Katrin Richter, Carolin Peter, Lisa-Maria Heide, Steffen Schmidt, Uwe Martin Luther Univ Halle Wittenberg Fac Med Dorothea Erxleben Lernzentrum Halle DELH Magdeburger Str 12 D-06112 Halle Germany TUD Dresden Univ Technol Inst Med Educ Carl Gustav Carus Fac Med Med Interprofess Training Ctr MITZ Dresden Germany TUD Dresden Univ Technol Inst Forens Med Carl Gustav Carus Fac Med Dresden Germany Martin Luther Univ Halle Wittenberg Inst Forens Med Franzosenweg 1 D-06112 Halle Germany

Conducting external post-mortem examinations is an essential skill required of physicians in various countries, regardless of their specialization. However, the quality of these examinations has been a subject of continuous debates, and notable errors were reviled. In response to these shortcomings, a virtual reality (VR) application was developed at Halle's medical department in Germany, focusing on the scene of discovery and the completion of death certificates. The initial trial of this VR application in 2020 involved 39 students and 15 early-career professionals. based on the feedback, the application underwent improvements and was subsequently introduced to the medical department in Dresden, Germany, in 2022. Its primary objective was to showcase the VR training's adaptability and scalability across various educational structures and levels of medical expertise. Out of 73 students who participated, 63 completed the evaluation process. 93.1% (n = 58) of the evaluators reported increased confidence in conducting external post-mortem examinations, and 96.8% (n = 61) felt more assured in filling out death certificates, crediting this progress to the VR training. Additionally, 98.4% (n = 62) believed that repeating forensic medical aspects in their coursework was crucial, and 96.8% (n = 61) viewed the VR examination as a valuable addition to their academic program. Despite these positive responses, 91.6% (n = 55) of participants maintained that training with real corpses remains irreplaceable due to the insufficiency of haptic feedback in VR. Nevertheless, the potential for enhancing the VR content and expanding the training to additional locations or related disciplines warrants further exploration.

关键词： Forensic medicine Virtual reality Serious game Medical education computer-based learning Digitalised teaching

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Prelaboratory Practice with a Titration Simulation Program for Carbonate Mixtures

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JOURNAL OF CHEMICAL EDUCATION 2024年第3期101卷 993-1001页

作者： Fu, Qiang Fu, Shiyuan Yang, Hui Yu, Jing Liu, Li Jiangxi Coll Tradit Chinese Med Dept Math Phys & Chem Fuzhou 344000 Jiangxi Peoples R China Zhejiang Univ Inst Environm Pollut Control & Treatment Coll Environm & Resource Sci Hangzhou 310058 Peoples R China

The double-indicator method is often used in the analysis of Na2CO3, NaHCO3, and NaOH mixtures (carbonate mixtures). In this method, the determination of the volumes at the first and second equivalence points plays a crucial role in analyzing the composition and content of the carbonate mixtures. Here, LabVIEW software was used to create a virtual titration simulation program, which can simulate the titration and the distribution fraction plots to help students in comprehending the titration process as well as facilitate the exploration of the relationship between the volumes of the first and second equivalence points for various components within the mixture. The program also includes a "Test" function that assesses students' comprehensive abilities in quantitatively analyzing the components in the mixture. The students achieved a score rate of 76.2%. The questionnaire survey indicates that the majority of students believe the program effectively enhances their understanding of the principles behind double indicator method and the process of mixtures' titration. Furthermore, they feel that the program boosts their confidence in performing real experiments.

关键词： Upper-Division Undergraduate AnalyticalChemistry computer-based learning Titration/VolumetricAnalysis Acids/Bases Quantitative Analysis

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Design of computer Simulation Exercises on Polarity and Intermolecular Attractive Forces

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JOURNAL OF CHEMICAL EDUCATION 2025年第5期102卷 1765-1775页

作者： Holmelin, Fredrik L. Nystrom, Peter Fauville, Geraldine Eriksson, Leif A. Univ Gothenburg Dept Chem & Mol Biol S-40530 Gothenburg Sweden Univ Gothenburg Dept Pedag Curricular & Profess Studies S-40530 Gothenburg Sweden Univ Gothenburg Dept Educ Commun & Learning S-40530 Gothenburg Sweden

computer simulations as learning tools in chemistry enable student centered pedagogies, with requirements for adequate instructional support. The provision of support to scaffold and increase learning can be accomplished through assignments that instruct and challenge students toward productive uses of a simulation. In this design research study, assignments for simulation exercises in chemistry were developed in collaboration with teachers and used in a classroom experiment with a switching replications design. Multiple choice tests and classroom observations were complemented by student interviews about their learning experience. Statistical analyses reveal similar learning gains in the treatment and control groups. Results from interviews show that students value the opportunity to explore simulations by themselves but also emphasize the importance of prior and concurrent explanations. Students acknowledge the roles of questions, instructions, tables, and other prompts in learning from the assignment. They also express that productive interaction with simulations to extract relevant information was promoted by drawings and verbal expressions, whereby students discerned mechanisms and conditions of phenomena modeled in the simulations. The findings suggest rationales for strategic combinations of elements from both conditions and features to consider in the design and adaptation of assignment manuals for simulation exercises.

关键词： High School/Introductory Chemistry ChemicalEducationResearch computer-based learning Molecular Properties

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The Superformula and Model Quantum Systems as Tools for learning

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JOURNAL OF CHEMICAL EDUCATION 2025年第3期102卷 1076-1082页

作者： Thompson, David C. Abernethy, Colin D. Gielis, Johan Chem Comp Grp Montreal PQ H3A 2R7 Canada Sarah Lawrence Coll Dept Chem Bronxville NY 10708 USA Univ Antwerp Dept Bioingenieurswetenschappen B-2020 Antwerp Belgium

The Superformula is a generalization of the series of closed curves, called Superellipses, and represents a generalization of the circle. The Superformula describes a wide range of abstract and naturally occurring shapes and has an accessible functional form containing a small number of parameters. In the current work, the Superformula is used as a flexible confining geometry defining a novel class of confined model quantum systems, the "particle-in-a-Superformula". Following its introduction, we describe the use of the "particle-in-a-Superformula" model in an undergraduate context. A guided exploration of these systems by a small group (N = 9) of multidisciplinary undergraduate students over four 90 min sessions is shared. The construction of, and the collected responses to, a short survey vehicle describing their thoughts and experience is detailed. In general, the students were positive about their use of this flexible construct as an aid to their facility with, and learning of, quantum phenomena.

关键词： First-Year Undergraduate/General Physical Chemistry computer-based learning Quantum Chemistry Theoretical Chemistry

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