We report a molecular modeling study for undergraduate students aimed at carrying out an analysis of small molecules using a systematic conformational search with VEGA ZZ, a freely available software program. Conformational analyses were performed using a systematic search based on variations of torsion angles. First, the conformations of n-butane…

Chemometric techniques such as partial least-squares (PLS) regression have been applied with huge success to a wide array of chemical problems including multicomponent analysis of analytes in complex mixtures. Despite this, there are few examples of laboratory pedagogical exercises that involve students in the acquisition of chemical data from…

Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…

A set of visualizations developed for the purpose of explaining solid state lattice structures is presented in this paper. The visualizations provide students with the option to view stacking patterns, extended structures, and individual unit cells for simple, body-centered and face-centered cubic, and hexagonal close-packed structures.…

In this article, physical quantities related to the motion of a parachute system in the framework of Newton's law of mechanics guide an informal approach to the mathematical concept of function. Furthermore, a graphical simulator that enables visualization of the fall of object-parachutes system is presented. The article is aimed at students and…

The aim of this study was to investigate whether and how engaging with a computer-supported collaborative knowledge-building environment helps students to develop a more sophisticated approach to scientific inquiry. A total of 52 undergraduate students took a course entitled "Introduction to Natural Sciences" that was based on…

Immersive virtual reality (IVR) simulations for education have been found to increase affective outcomes compared to traditional media, but the effects on learning are mixed. As reflection has previously shown to enhance learning in traditional media, we investigated the efficacy of appropriate reflection exercises for IVR. In a 2 × 2…

Understanding the concepts of quantum mechanics has always been a challenge for undergraduate students. This is especially so because many of the introductory (analytically solvable) systems and problems discussed in textbooks are seemingly abstract. Using approximate experimental demonstrations of such systems and problems have been shown to be…

Understanding reflection and refraction are an integral part of school and college learning. In nature even birds and fish (Archer fish) very skillfully use refraction to strike down prey present above or below the water surface. Fermat's principle allows one to look beyond the reasons behind the laws governing the reflection and refraction. A…

A bioinformatics laboratory experiment was designed to help undergraduate students learn RNA structure and function in biochemistry courses. In this laboratory experiment, students used 5S rRNAs as material to predict secondary structure and visualize three-dimensional (3D) structure. Students first downloaded molecular information from the 5S…

Field trips are a common activity for instructors to engage students and give them a first-hand understanding of a subject, especially in environmental chemistry. However, the planning and execution for a field trip is logistically challenging and demanding of human and material resources. Here, we demonstrate the conduct of a virtual overseas…

A series of Microsoft Excel spreadsheets were developed to simulate the process of separation optimization under isocratic and simple gradient conditions. The optimization procedure is performed in a stepwise fashion using simple macros for an automatic application of this approach. The proposed optimization approach involves modeling of the peak…

In this technology report, a tool is provided for teaching reciprocal space to undergraduates in physical chemistry and materials science courses. Reciprocal space plays a vital role in understanding a material's electronic structure and physical properties. Here, we provide an example based on previous work in the "Journal of Chemical…

An understanding of protein folding relies on a solid foundation of a number of critical chemical concepts, such as molecular structure, intra-/intermolecular interactions, and relating structure to function. Recent reports show that students struggle on all levels to achieve these understandings and use them in meaningful ways. Further, several…

A 3D model visualization and basic molecular modeling laboratory suitable for first-year undergraduates studying introductory medicinal chemistry is presented. The 2 h practical is embedded within a series of lectures on drug design, target-drug interactions, enzymes, receptors, nucleic acids, and basic pharmacokinetics. Serving as a teaching aid…