Journal of Chemical Education最新文献

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Learning Organic Chemistry on the Go: Chemical Engineering Students’ Perceptions of Chirality 2 App as a Learning Support 在移动中学习有机化学:化学工程学生对手性的感知2应用程序作为学习支持
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-27 DOI: 10.1021/acs.jchemed.4c0147010.1021/acs.jchemed.4c01470
Tisetso Mosala, Kgadi Mathabathe and Rethabile Tekane*, 
{"title":"Learning Organic Chemistry on the Go: Chemical Engineering Students’ Perceptions of Chirality 2 App as a Learning Support","authors":"Tisetso Mosala,&nbsp;Kgadi Mathabathe and Rethabile Tekane*,&nbsp;","doi":"10.1021/acs.jchemed.4c0147010.1021/acs.jchemed.4c01470","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01470https://doi.org/10.1021/acs.jchemed.4c01470","url":null,"abstract":"<p >Although the use of mobile-based learning applications in organic chemistry is rising, limited studies have evaluated their effectiveness as learning supports. This study presents a phenomenographic investigation into the evaluation of using the Chirality 2 app as a learning support in a first-year chemical engineering organic chemistry course in a South African University context. An open-ended questionnaire was used to probe students’ perceptions of the course and their suggestions regarding improving the Chirality 2 app. The findings revealed that students used the app to practice, revise, and test their understanding of organic chemistry concepts in preparation for class tests. Although the students liked the Chirality 2 app for providing immediate feedback, they also expressed dissatisfaction with the lack of detailed feedback for the incorrect answers, and the fact that they were restricted only to multiple-choice questions. The study offers valuable insights into the potential use of gaming apps as equitable learning tools to support organic chemistry students in diverse and resource-limited environments.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1410–1417 1410–1417"},"PeriodicalIF":2.5,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01470","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Second Chance for Expired Medication: Teaching Green Analytical Chemistry in an Analytical Chemistry Laboratory Course for Undergraduate Students 过期药物的第二次机会:在本科分析化学实验课程中教授绿色分析化学
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-27 DOI: 10.1021/acs.jchemed.5c0002210.1021/acs.jchemed.5c00022
Alessandro Streuli, Vanessa Erckes and Christian Steuer*, 
{"title":"A Second Chance for Expired Medication: Teaching Green Analytical Chemistry in an Analytical Chemistry Laboratory Course for Undergraduate Students","authors":"Alessandro Streuli,&nbsp;Vanessa Erckes and Christian Steuer*,&nbsp;","doi":"10.1021/acs.jchemed.5c0002210.1021/acs.jchemed.5c00022","DOIUrl":"https://doi.org/10.1021/acs.jchemed.5c00022https://doi.org/10.1021/acs.jchemed.5c00022","url":null,"abstract":"<p >Teaching analytical chemistry is an important obligation in various fields of natural sciences, yet the responsibility to convey the complexity and required interconnected thinking of the subject is very challenging. Additionally, it is important to put the conducted laboratory experiments in the context of real-world problems and prepare students for their future professional lives. We herein propose the teaching of analytical chemistry to fifth-semester pharmaceutical sciences students on active pharmaceutical ingredients from expired medications from the perspective of green chemistry and green analytical chemistry (GAC). In a five half-day course, students learn how to independently plan laboratory experiments, perform common analytical techniques, and practically implement newly learned concepts. Liquid–liquid extraction was used to extract paracetamol and mefenamic acid from tablets, which were then used to apply common analytical techniques such as infrared spectroscopy, mass spectrometry, or nuclear magnetic resonance spectroscopy. The students were encouraged to implement various concepts of GAC in their experiments, aiming at using greener solvents, reducing generated waste, and improving overall safety. As a learning assessment, the students performed the analytical data analysis and summarized their results in a certificate of analysis, a common form of report used in the industrial and pharmaceutical fields. Based on a questionnaire the students answered after the course, we were able to show that our concept not only taught analytical chemistry but also could draw a connection to real-world issues including medication waste, the environmental impact of analytical procedures, and the future professional life of the students.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1582–1589 1582–1589"},"PeriodicalIF":2.5,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.5c00022","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis of Stable Castor/Polysulfide for Fabrication of Recyclable Super-Hydrophobic Filters for Oil–Water Separation via Green Chemistry 稳定蓖麻/聚硫醚的合成及可回收油水分离超疏水过滤器的绿色化学制备
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-26 DOI: 10.1021/acs.jchemed.4c0107810.1021/acs.jchemed.4c01078
Manijeh Nematpour*,  and , Melica Rashidi, 
{"title":"Synthesis of Stable Castor/Polysulfide for Fabrication of Recyclable Super-Hydrophobic Filters for Oil–Water Separation via Green Chemistry","authors":"Manijeh Nematpour*,&nbsp; and ,&nbsp;Melica Rashidi,&nbsp;","doi":"10.1021/acs.jchemed.4c0107810.1021/acs.jchemed.4c01078","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01078https://doi.org/10.1021/acs.jchemed.4c01078","url":null,"abstract":"<p >In this research, we discussed the concept of green chemistry and sustainable development in the synthesis of polymers by designing a simple and practical experiment. Initially, a renewable and stable polysulfide with high sulfur content was synthesized by reverse vulcanization of elemental sulfur and castor oil. Then, this castor oil/polysulfide (CPS) hydrophobic polysulfide was coated on the linen fabric to obtain a super-hydrophobic filter. The coated polysulfide filters were identified using X-ray energy diffraction (EDX), scanning electron microscopy (FESEM), and X-ray-map methods. Finally, the use of super-hydrophobic linen fabric filters for separating two-phase oil–water compounds was investigated. High separation efficiency as well as near-complete separation removal of the aqueous phase are the advantages of linen fabric filters. Also, no significant change in separation efficiency was observed after 10 recycling times. This research uses simple and available natural materials for the synthesis of new polymers and the construction of strong super-hydrophobic filters for the separation of water and oil by examining visible and attractive evidence for chemistry students, in the third year of the bachelor’s degree, in the organic chemistry laboratory based on green chemistry, and the principles of sustainable development are reviewed.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1619–1625 1619–1625"},"PeriodicalIF":2.5,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Teaching Materials Science: Multi-Tiered Learning at a Soccer-Themed Science Camp in Brazil 教材科学:巴西足球主题科学营的多层次学习
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-25 DOI: 10.1021/acs.jchemed.4c0118010.1021/acs.jchemed.4c01180
Haley K. Beech, Katharina A. Fransen, Thalyta Stefani Amâncio Santiago, Bruno Salomão Leão, Lucas Puig, J. Alessandro Briseno-Tapia, Rosabelli Coelho and Bradley D. Olsen*, 
{"title":"Teaching Materials Science: Multi-Tiered Learning at a Soccer-Themed Science Camp in Brazil","authors":"Haley K. Beech,&nbsp;Katharina A. Fransen,&nbsp;Thalyta Stefani Amâncio Santiago,&nbsp;Bruno Salomão Leão,&nbsp;Lucas Puig,&nbsp;J. Alessandro Briseno-Tapia,&nbsp;Rosabelli Coelho and Bradley D. Olsen*,&nbsp;","doi":"10.1021/acs.jchemed.4c0118010.1021/acs.jchemed.4c01180","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01180https://doi.org/10.1021/acs.jchemed.4c01180","url":null,"abstract":"<p >Throughout the world, increasing students’ awareness of and preparedness for opportunities in STEM fields continues to be a challenge, with international efforts facing additional language and cultural barriers. To address this need, a new outreach experience was developed to stimulate interest in STEM through a passion shared across most of the world: soccer. The curriculum <i>Materials Science of Soccer</i> was developed by a multidisciplinary team at MIT and taught in collaboration with local Brazilian engineering undergraduate and graduate students to high school students in Brazil. Each day of camp consisted of a series of 15-minute lectures interspersed with a variety of active learning activities and laboratories to reinforce STEM-related skills. The active learning portions were cotaught by Brazilian-MIT undergraduate pairs. Original lectures were written for the class, translated, and taught in Portuguese. Feedback was collected daily and at the end of the course. The goals of this report are to (1) provide an overview of the camp structure and copies of the activity guides as a resource for future outreach programs; (2) discuss the benefits and challenges of a multi-tiered, cross-cultural learning model offered by programs like MIT Global Teaching Laboratory; and (3) analyze the impact and outcomes from the experience on each learning group (MIT students, Brazilian college students, and Brazilian high school students) from postcamp survey data.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1465–1475 1465–1475"},"PeriodicalIF":2.5,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
STEM Education in Natural Science Teaching to Secondary School Students: Case Study of Making a pH Measuring Pen in Soil Application of IoT Technology STEM教育在中学生自然科学教学中的应用:物联网技术在土壤pH测量笔制作中的应用研究
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-24 DOI: 10.1021/acs.jchemed.4c0136910.1021/acs.jchemed.4c01369
Cao Cu Giac*, Nguyen Thi Hang and Cao Thi Van Giang, 
{"title":"STEM Education in Natural Science Teaching to Secondary School Students: Case Study of Making a pH Measuring Pen in Soil Application of IoT Technology","authors":"Cao Cu Giac*,&nbsp;Nguyen Thi Hang and Cao Thi Van Giang,&nbsp;","doi":"10.1021/acs.jchemed.4c0136910.1021/acs.jchemed.4c01369","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01369https://doi.org/10.1021/acs.jchemed.4c01369","url":null,"abstract":"<p >STEM education helps students learn through practical experiences, linking theory with practice. Natural Science has many practical applications for implementing STEM education. This article presents a 10-step process for designing STEM education topics in Natural Science teaching and applies this process to design the STEM education topic “Making a pH measuring pen in soil using Internet of Things (IoT) technology”. With a practical approach to understanding the need to create STEM products, especially exploiting IoT technology, we can connect pH measuring pens with other peripheral devices to increase the applicability of the product. This design process can be applied to design STEM activities according to different contents and topics to improve the quality of teaching Natural Science in secondary schools. This paper presents a case study of integrating STEM education into natural science teaching for secondary school students. The focus is on using IoT technology to create a pH measuring pen for soil analysis. This project aligns with a broader initiative aimed at promoting agricultural automation through STEM-based educational activities. The study aims to enhance students’ understanding of science concepts, promote practical skills, and foster innovation. By engaging students in hands-on activities, the project seeks to make learning more engaging and relevant.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1518–1528 1518–1528"},"PeriodicalIF":2.5,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01369","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identifying Pharmacopoeial Amino Acids through an Instructive Sequence of Physical, Chemical, and Chromatographic Analyses 通过物理、化学和色谱分析的指导性序列鉴定药典氨基酸
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-21 DOI: 10.1021/acs.jchemed.4c0149410.1021/acs.jchemed.4c01494
Camillo Morano, Edoardo Armano, Gabriella Roda, Alessandro Giraudo, Marco Pallavicini and Cristiano Bolchi*, 
{"title":"Identifying Pharmacopoeial Amino Acids through an Instructive Sequence of Physical, Chemical, and Chromatographic Analyses","authors":"Camillo Morano,&nbsp;Edoardo Armano,&nbsp;Gabriella Roda,&nbsp;Alessandro Giraudo,&nbsp;Marco Pallavicini and Cristiano Bolchi*,&nbsp;","doi":"10.1021/acs.jchemed.4c0149410.1021/acs.jchemed.4c01494","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01494https://doi.org/10.1021/acs.jchemed.4c01494","url":null,"abstract":"<p >The identification of an unknown substance sample can be instructive and exciting training for students on the condition that chemical tests and chromatographic analyses are not uncritical applications of literature prescriptions. Here, we describe a laboratory experience for undergraduate students based on an analytical scheme leading to the identification of an unknown amino acid through a sequence of physical, chemical, and chromatographic tests accomplished according to a previously provided decision tree. Only after differentiating the amino acids for their solubility in water and the pH of their solution/suspension do students apply chemical or HPLC analyses within the resultant amino acids subsets with awareness of the mechanism and the specificity of the reactions and the principles of the HPLC separation. The laboratory experience is designed so that students implement their knowledge of general, organic, and analytical chemistry.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1694–1702 1694–1702"},"PeriodicalIF":2.5,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01494","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Example Application of a General Chemistry Laboratory Experiment for Solving Cosmetic Product Formulation: Student Evaluation 通用化学实验室实验在解决化妆品配方问题中的应用实例:学生评价
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0114910.1021/acs.jchemed.4c01149
Tuğçe Günter*, 
{"title":"Example Application of a General Chemistry Laboratory Experiment for Solving Cosmetic Product Formulation: Student Evaluation","authors":"Tuğçe Günter*,&nbsp;","doi":"10.1021/acs.jchemed.4c0114910.1021/acs.jchemed.4c01149","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01149https://doi.org/10.1021/acs.jchemed.4c01149","url":null,"abstract":"<p >It is quite important for each individual interested in cosmetic chemistry to apply the steps of formulating a cosmetic product and obtain a prototype product. In this regard, second-year university associate degree students (<i>N</i> = 15) were enabled to produce their own prototype creams in the laboratory environment by examining the contents of 10 different types of hand and body creams, investigating and classifying the purpose of the raw materials, extracting the common raw materials found in 10 different creams, and selecting reliable chemicals together with the training instructor in this study. The results of the individual evaluation report created by the training facilitator for each student in the study revealed that the majority of the students improved their ability to conduct research from a “weak” level in the pre-evaluation to a “good” level in the post-evaluation. In addition, the post-evaluation total average percentile scores of the students were statistically significant compared to the pre-evaluation total average percentile scores (<i>t</i>(14) = −10.753, <i>p</i> &lt; 0.001).The results also showed that the majority of the students were able to create prototype products at a “good” level. At the end of the application, all students expressed completely positive opinions about the application and laboratory process as educational, fun, and interesting and that they could use it in their professional lives in their own fields. This application realized in the research is thought to provide a contribution to the chemistry, health, and engineering education literature. This hands-on approach is innovative, and the significance lies in its potential to enhance the practical skills of students, making them better prepared for industry challenges. It also includes a methodical process provided for students to recreate cosmetic products, which is not commonly found in the literature. In addition, it is useful to chemistry educators, offering a replicable model for integrating practical formulation skills into chemistry courses.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1633–1642 1633–1642"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simple One-Step Synthesis of Bimetallic Au–Ag Nanoparticles: Integrated Nanoscience Laboratory Project 简单一步合成双金属金-银纳米粒子:综合纳米科学实验室项目
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0065010.1021/acs.jchemed.4c00650
Marianela Zoratti, Gabriela Krepper, Sandra A. Hernández and Deborath M. Reinoso*, 
{"title":"Simple One-Step Synthesis of Bimetallic Au–Ag Nanoparticles: Integrated Nanoscience Laboratory Project","authors":"Marianela Zoratti,&nbsp;Gabriela Krepper,&nbsp;Sandra A. Hernández and Deborath M. Reinoso*,&nbsp;","doi":"10.1021/acs.jchemed.4c0065010.1021/acs.jchemed.4c00650","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c00650https://doi.org/10.1021/acs.jchemed.4c00650","url":null,"abstract":"<p >As part of the nanosciences optional seminar for undergraduate students of chemistry career, a comprehensive practical activity was made to reinforce and integrate concepts related to nanoscience, nanotechnology, and green chemistry while introducing the scientific method. Specifically, this laboratory project focuses on the synthesis of gold (AuNPs), silver (AgNPs), and bimetallic gold–silver (Au–AgNPs) nanoparticles using honey as a green reducing and stabilizing agent. Furthermore, the influence of Ag:Au molar ratio, temperature, and reaction time on the bimetallic nanoparticle synthesis was evaluated, and the obtained materials were characterized by UV–vis spectroscopy, transmission electron microscopy (TEM), dynamic light scattering (DLS), ζ potential, and cyclic voltammetry (CV) methods. The experiment not only introduces the students to the skills of sample preparation and instrument operation but also serves as a valuable hands-on experience to explore the frontiers of knowledge, consolidate their learning of the key theoretical concepts, and reinforce the soft skills related to problem-solving, critical thinking, and the effective communication of their research.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1598–1604 1598–1604"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Rayleigh–Ritz Variation Method: An Illustrative Application to Anharmonicity of the Hydrogen Chloride Molecule Vibrations 瑞利-里兹变分法:在氯化氢分子振动非调和性中的应用
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0138410.1021/acs.jchemed.4c01384
Piotr Borowski*, Karina Kowalska and Piotr Pikuta, 
{"title":"The Rayleigh–Ritz Variation Method: An Illustrative Application to Anharmonicity of the Hydrogen Chloride Molecule Vibrations","authors":"Piotr Borowski*,&nbsp;Karina Kowalska and Piotr Pikuta,&nbsp;","doi":"10.1021/acs.jchemed.4c0138410.1021/acs.jchemed.4c01384","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01384https://doi.org/10.1021/acs.jchemed.4c01384","url":null,"abstract":"<p >In this paper a new approach to presenting the Rayleigh–Ritz method to chemistry students is described. The emphasis is on the methodological aspects that students should concentrate on, rather than on computational issues (e.g., calculations of integrals). The method is illustrated by the example of its application to the problem of anharmonicity of the HCl molecule vibrations. An Excel workbook to perform calculations without distracting students from the essence of the method was prepared. The relevant integrals, including integrals for the anharmonic terms up the sixth order, were programmed using the well-known formulas. The Jacobi diagonalization procedure was implemented in Visual Basic as an Excel macro. This procedure can be easily used provided the Hamiltonian matrix is available. This matrix can be readily assembled from the precomputed integrals and adjusted according to the users’ needs, e.g., by straightforward inclusion of the desired anharmonic terms to the potential. Issues to be discussed with students based on the results obtained for the fourth-order anharmonic potential are also suggested. It is also highly recommended that students carry out similar calculations, e.g., by including higher order terms to see the changes in the oscillator energy levels. The workbook can be easily adapted for calculations on other diatomic molecules at any computational level. In addition, a Wolfram Mathematica notebook for performing similar calculations was also provided for the users’ convenience.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1529–1535 1529–1535"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01384","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Open-Source Visual Programming Software for Introducing Principal Component Analysis to the Analytical Curriculum 将主成分分析引入分析课程的开源可视化编程软件
IF 2.5 3区 教育学
Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0031110.1021/acs.jchemed.4c00311
Tai-Sheng Yeh*, 
{"title":"Open-Source Visual Programming Software for Introducing Principal Component Analysis to the Analytical Curriculum","authors":"Tai-Sheng Yeh*,&nbsp;","doi":"10.1021/acs.jchemed.4c0031110.1021/acs.jchemed.4c00311","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c00311https://doi.org/10.1021/acs.jchemed.4c00311","url":null,"abstract":"<p >With the increasing complexity of analytical data nowadays, great reliance on statistical and chemometric software is quite common for scientists. Powerful open-source software, such as Python, R, and the commercial software MATLAB, demands good coding skills. Writing original code could be challenging for students with no prior programming experience. Orange Data Mining is a Python based visual programming software that has been used widely in many scientific publications. Principal component analysis (PCA) is one of the most common exploratory data analysis techniques with applications in outlier detection, dimensionality reduction, graphical clustering, and classification. By using a program workflow based on widgets (a computational unit within Orange), the task of PCA can be done very quickly. The same workflow could be used for different types of analytical data without the need for reprogramming again. The application of Orange Data Mining software to PCA exploratory analysis of sugar NIR spectral data from a portable NIR spectrometer will be demonstrated. Further data sets including multivariate coffee composition data, instant coffee FTIR spectra, vegetable oil fatty acid composition, and vegetable oil NMR spectra were given as Supporting Information to enhance the learning of software through repetition. From the demonstration, it can be easily seen how Orange Data Mining software will be useful for introducing PCA to the analytical curriculum.</p>","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1428–1435 1428–1435"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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