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Not That DDT: A Databank of Dynamics Trajectories for Organic Reactions

JOURNAL OF CHEMICAL EDUCATION 2022年第7期99卷 2721-2725页

作者： Zhang, Yue Sayama, Misa Luo, Michelle Lu, Yining Tantillo, Dean J. Univ Calif Davis Dept Chem Davis CA 95616 USA Univ Tokyo Dept Pharm Tokyo 1130033 Japan Yale Univ Dept Chem New Haven CT USA

The Databank of Dynamics Trajectories (DDT, ***) was established to assist students in visualizing the dynamical behaviors occurring during chemical reactions and conformational changes, with a focus on processes taught in introductory organic chemistry classes. Animations of reacting molecules created using ab initio molecular dynamics simulations constitute the key feature of the DDT website.

关键词： Second-Year Undergraduate Graduate Education Research Organic Chemistry computer-based learning Misconceptions Discrepant Events Computational Chemistry Mechanisms of Reactions Molecular Mechanics Dynamics Quantum Chemistry Theoretical Chemistry

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Looking at the Laboratory Discussion: Course Modality Choice and Student Performance in Organic Chemistry

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JOURNAL OF CHEMICAL EDUCATION 2022年第10期99卷 3478-3487页

作者： Szura, John W. Fischer, Christian Link, Renee D. Collins, Penelope Univ Tubingen Hector Res Inst Educ Sci & Psychol D-72072 Tubingen Germany Univ Calif Irvine Dept Chem Irvine CA 92697 USA Univ Calif Irvine Sch Educ Irvine CA 92697 USA

In the sciences, the laboratory is one of the most impactful spaces for student learning, engagement, and experience. Prior knowledge gleaned during lecture and laboratory discussion (i.e., a course section designed to further emphasize conceptual content underlying experiments and inform students about laboratory procedures or safety precautions) acts to supplement laboratory performance. With the recent increase in offering traditionally face-to-face courses in remote formats, many educators in the field of organic chemistry have opted to offer online laboratory discussion (LD) sections alongside more traditional face-to-face laboratory discussions. However, research on enrollment in laboratory discussions by modality, as well as their impact on subsequent course performance, is lacking. Conducting a logistic regression analysis, we found that females, students who identified as Black or African American, those with greater average ACT-SAT equivalency scores, and those students who completed organic chemistry LD online in the prior term all had greater odds of enrolling in an online organic chemistry LD course in subsequent academic terms. Additional hierarchical regression analyses indicated that many student-and academic-level factors were predictive of laboratory performance. Notably, when controlling student-level and academic-level characteristics, laboratory performance was higher for students who completed LD online compared to students who enrolled in face-to-face LDs. This study has important implications for students as they uptake courses in online settings and faculty as they decide what portions of their courses to offer remotely.

关键词： First-Year Undergraduate General Second-Year Undergraduate Upper-Division Undergraduate Curriculum Organic Chemistry Collaborative Cooperative learning computer-based learning Distance learning Self Instruction Inquiry-based Discovery learning Internet Web-based learning Problem Solving Decision Making

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What Happens When Two Radicals Meet? A Practical Approach to Free Radical Reaction Mechanisms

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JOURNAL OF CHEMICAL EDUCATION 2022年第10期99卷 3522-3529页

作者： Stasevic, Filip Milanovic, Ziko Tosovic, Jelena Durdevic, Jelena Markovic, Svetlana Univ Kragujevac Fac Sci Kragujevac 34000 Serbia Univ Kragujevac Inst Informat Technol Dept Sci Kragujevac 34000 Serbia

Molecular modeling can be used as an excellent teaching method for providing better insight into the mechanism of free radical reactions. Due to its highly visual nature, it can affect and improve students' perception and visualization of chemistry phenomena. The majority of chemistry students will know how to represent a reaction between two free radicals symbolically (either with electron pushing arrows or with the representation of the paired and unpaired electrons). However, the problem arises when they are asked to explain what happens between the radicals at the microscopic level. In some elementary chemical reactions the reactants and products differ in spin multiplicity. Thus, these reactions need to be described in terms of two-state reactivity. Such a reaction occurs on two spin surfaces and includes spin inversion along the reaction coordinate. In this work, we demonstrate a procedure that aims to explain the progression of a coupling reaction between two radicals yielding toluene. This example showcases how one singlet molecule can be obtained from two doublets. To verify the impact of molecular modeling on students' knowledge about free radical reactions, we conducted a study that involved 44 chemistry students. The three questionnaires, two knowledge tests (pretest and post-test), and one survey were carried out to obtain the data. The obtained data imply that this practical approach has a significant impact on students' knowledge and can help them to better understand the free radical reactions, particularly at the microscopic level.

关键词： Second-Year Undergraduate Organic Chemistry Physical Chemistry computer-based learning Computational Chemistry Free Radicals Kinetics Molecular Modeling

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Moving Forward: Resilience of a Chemistry for Health Professions 2D Virtual Lab Program During COVID

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JOURNAL OF CHEMICAL EDUCATION 2022年第8期99卷 2981-2990页

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

Chemical education laboratory practices have not been exempted from the present healthcare crisis. learning environments have shifted from face-to-face exercises to virtual and video conferencing platforms. Here, we discuss a chemistry for health sciences course which (i) adapted the previous face-to-face laboratory exercises to 100% online using online platforms two years preceding COVID only to shift to completely remote learning and back again and (ii) highlight correlations between chemistry concepts (e.g., pH, solubility, and serial dilutions) and medical practices. Additionally, course pass/fail trends pre-COVID and during COVID are identified and discussed by the author. Regarding example laboratory teaching and learning, this article further examines the responses for two groups of students and their perspectives on 2D virtual chemistry lab experiences and parallel discussions in healthcare: (1) For group 1, students (n = 135) completed an anonymous and voluntary Likert-type questionnaire for a pH and serial dilution online lab experience with over 92% recommending the lab experience for future enrollees, and (2) for group 2, student (n = 107) results indicated 93% of the survey participants were providing the same recommendation.

关键词： First-Year Undergraduate General computer-based learning Distance learning Self Instruction Nonmajor Courses

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Using 3D Printing to Make Models for Visualization of Protein Structure

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JOURNAL OF CHEMICAL EDUCATION 2022年第5期99卷 2005-2011页

作者： Jurgenson, Christopher T. Delta State Univ Cleveland MS 38733 USA

Structures of 10 proteins from the Protein Data Bank were 3D printed as part of an undergraduate biochemistryteaching laboratory. All structures were successfully printed in either a spacefilling surface representation or a cartoon representationthat traces the C alpha carbon atoms of each amino acid residue. All structures were printed using poly(lactic acid) (PLA) with waterdissolvable poly(vinyl alcohol) (PVA) supports. The cost of making the models ranged from $11.02 to $24.48, and the total printtime of each model ranged from approximately 42 to 103 h. PDBfiles were downloaded ***(accessed 2022-04-20) intoPyMol to be converted into .stlfiles. The .stlfiles were sliced using Ideamaker and printed on a Raise3D E2 printer. Quaternarystructures were printed using a surface representation, but monomers were printed using a cartoon representation of the C alpha skeleton. Monomers were checked using the modeling program Crystallographic Object-Oriented Toolkit (coot) tofix any gaps inthe structure due to incomplete X-ray crystal models. This project was used to teach concepts such as protein structure, proteinfunction, and computer graphics in an undergraduate biochemistry course

关键词： Upper-Division Undergraduate Biochemistry computer-based learning Hands-On learning Manipulatives Proteins Peptides X-ray Crystallography Molecular Modeling

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Investigating Meaningful learning in Virtual Reality Organic Chemistry Laboratories

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JOURNAL OF CHEMICAL EDUCATION 2022年第2期99卷 1100-1105页

作者： Williams, Nicholas D. Gallardo-Williams, Maria T. Griffith, Emily H. Bretz, Stacey Lowery Elon Univ Dept Psychol Elon NC 27244 USA North Carolina State Univ Dept Chem Raleigh NC 27695 USA North Carolina State Univ Dept Stat Raleigh NC 27695 USA Miami Univ Dept Chem & Biochem Oxford OH 45056 USA

Virtual reality (VR) lab experiences for organic chemistry were developed at NC State University as an accessibility tool for students who are unable to attend in-person laboratories due to disabilities, attendance challenges such as pregnancy or military deployment, or safety concerns. The resulting first-person VR experiences are immersive and realistic, with a virtual teaching assistant guiding the user along the steps required to complete the experiment, including feedback as needed. During the COVID pandemic, these laboratories replaced traditional face-to-face laboratories at NC State and several other universities. During the summer of 2020, we used the Meaningful learning in the Laboratory Instrument (MLLI) to measure both the cognitive and affective dimensions of students' expectations of the virtual lab before the course and their experiences with virtual reality after completing the course. Students who completed virtual reality laboratories reported more positive affective experiences than they anticipated, including little frustration or confusion in the laboratory.

关键词： Laboratory Instruction Second-Year Undergraduate Organic Chemistry computer-based learning Multimedia-based learning Distance learning/Self Instruction Internet/Web-based learning Computing/Interfacing learning Theories

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Exploring the Viability and Role of Virtual Laboratories in Chemistry Education Using Two Original Modules

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JOURNAL OF CHEMICAL EDUCATION 2022年第4期99卷 1596-1603页

作者： Qu, Andrew Nicolas, Madeleine Leung, Eric Minshing Jones, Serena Monique Katyal, Priya Punia, Kamia Maxfield, Macrae Montclare, Jin Kim NYU Tandon Sch Engn Dept Chem & Biomol Engn Brooklyn NY 11201 USA NYU Coll Arts & Sci Dept Chem New York NY 10003 USA NYU Coll Dent Dept Biomat New York NY 10010 USA NYU Sch Med Dept Radiol New York NY 10016 USA NYU Tandon Sch Engn Dept Comp Sci & Engn Brooklyn NY 11201 USA Brooklyn Tech High Sch Dept Chem Brooklyn NY 11217 USA

Virtual chemistry laboratory modules were investigated as a potential learning resource that complementstraditional in-person experiments. In collaboration with a highschool instructor, we designed two interactive modules,Rates ofReactionandModels of Organic Molecules, which became part of apreviously reported online chemistry platform referred to asLabLessons. High school students took advantage of thesemodules to reinforce their knowledge of specific chemistryconcepts and prepare themselves for the corresponding labexperiments. Students and the instructor were surveyed aftertheir use of the two modules, providing feedback on the moduledesigns and effectiveness. Survey results as well as academic performance suggest that independent learning through modules had anoverall positive impact on learning when used in conjunction with traditional methods

关键词： High School Chemistry Laboratory Instruction Organic Chemistry Outreach computer-based learning Self Instruction Web-based learning Rate Law Reactions

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Graphical Application to Assist Students Understand the Basic Concepts in Acid-Base Titrations

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JOURNAL OF CHEMICAL EDUCATION 2022年第4期99卷 1547-1552页

作者： Fernando, L. S. Lanka K. Perera, L. Hasini R. Univ Colombo Dept Chem Colombo 300300 Sri Lanka

During the 1960s, Edgar Dale published the concept that learners are likely to retain more information if they see and hear information rather than justlisten. Therefore, many educational applications have been created for students tolearn theoretical concepts through visuals and in an interactive manner. Microsoft(MS) Excel has been used in many of these applications due to ease of use andwidespread applicability. The main objective of this research is to introduce an MSExcel application to study the theoretical concepts associated with acid-basetitrations. This application allows the user to select the type of titration,Ka/Kbvalueswhere applicable, concentrations of the reagents, titration volume, commonly usedindicators, and follow the variation in the titration curve. With the use of theapplication, students can clearly visualize the change in pH during the titration, bufferregion, and the effect of reagent concentrations andKa/Kbvalues on the titrationcurves. It further allows the user to determine the end point of the titration via afirstderivative plot, observe the variation in fractional composition of the reactive species with pH, and identify the indicator best suitedfor the titration. The application was proven successful when used to teach the concepts of acid-base titrations to a group of high school students

关键词： High School Introductory Chemistry Second-Year Undergraduate First-Year Undergraduate General Analytical Chemistry computer-based learning Acids Bases Titration Volumetric Analysis

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STR120: A Web-based Board Game for Aiding Students in Review of the Structural Theory of Organic Compounds

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JOURNAL OF CHEMICAL EDUCATION 2022年第9期99卷 3315-3322页

作者： Junior, Jose Nunes da Silva Winum, Jean-Yves Basso, Andrea Gelati, Luca Moni, Lisa Junior, Antonio Jose Melo Leite Mafezoli, Jair Zampieri, Davila Alexandre, Francisco Serra Oliveira Veja, Kimberly Benedetti Monteiro, Andre Jalles Univ Montpellier Dept Chim Fac Sci F-34095 Montpellier France Univ Montpellier Inst Biomol Max Mousseron CNRS ENSCMUMR 5247 F-34095 Montpellier France Univ Genoa Dipartimento Chim & Chim Ind I-16146 Genoa Italy Edutainment Formula I-16133 Genoa Italy Univ Fed Ceara Dept Quim Organ & Inorgan Fortaleza BR-60451970 CE Brazil Inst Fed Educ Ciencia & Tecnol Ceara Fortaleza BR-60040215 CE Brazil

This paper provides information about a multi-lingual (Portuguese, English, Spanish, Italian, and French) virtual card game for computers and smartphones. Facing the disruption caused by the Covid-19 pandemic, this game allows students to play remotely or face-to-face with friends in a fun and cooperative environment and review the topics related to the structural theory of organic compounds simultaneously. Brazilian and Italian undergraduate students played and evaluated the game positively. Also, learning assessments revealed that the game promotes learning equivalent to the traditional solving-problem classes. Therefore, the game is a playfu l alternative method to the conventional educational strategies for reviewing the content related to the structural theory of org a n i c compounds in a fun way in a collaborative environment in which the students discuss the answer to each question.

关键词： First-Year Undergraduate General Organic Chemistry computer-based learning Humor Puzzles Games Molecular Properties Structure

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Engagement of Students in an Organic Chemistry Lecture/Lab Course via Social Media Using Twitter

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JOURNAL OF CHEMICAL EDUCATION 2022年第9期99卷 3304-3309页

作者： Frohock, Bram H. Macallister, Cade A. Gallardo-Williams, Maria T. North Carolina State Univ Dept Chem Raleigh NC 27695 USA

A teaching team composed of a faculty member (lecture) and a graduate teaching assistant (lab) endeavored to engage students enrolled in several sections of the same organic chemistry course through the use of social media. Students were encouraged to follow both instructors on Twitter and were asked to share aspects of the class using the social media site. Instructors regularly posted content and links relevant to the course and interacted with students, modeling professional social media interactions. Although the extent of student participation was limited, it was determined that this is a possible complementary outlet for class communication, sharing of information, and limited data gathering. In the lab courses, students were found to be more reticent to engage but did use the "follow" function to add the lab instructor to their Twitter networks. Lab and lecture courses were surveyed in order to determine factors affecting student engagement on social media. Results of the surveys and data collected in both courses are discussed with an emphasis on best practices.

关键词： Second-Year Undergraduate Organic Chemistry Internet/Web-based learning Multimedia-based learning computer-based learning

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