Students in an upper-level physical chemistry course utilized an open-sourced statistical software package to construct models fitted to experimental pressure-volume data. In the first part of the experiment, students familiarize themselves with model fitting. In the second part of the experiment, students determine which truncated version of the…

The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development. Here we report the design and use…

The pharmaceutical industry relies heavily on analytical techniques for identifying and characterizing drug compounds. In this experiment, undergraduate pharmacy students explored the applications of near-infrared spectroscopy for pharmaceutical analysis and its potential for identifying patterns and relationships among pharmaceutical samples. In…

Chemistry is increasingly data centric and the undergraduate curriculum needs to adjust to keep up. To address this, we created the "Air Quality Activity," a new first-year undergraduate activity where students use Microsoft Excel to analyze a unique subset of atmospheric ozone (O[subscript 3]) and nitrogen dioxide (NO[subscript 2])…

Learning to write chemical formulas of compounds is a basic and indispensable part of understanding and studying chemistry. However, it is hard for students with visual impairment to assess and learn molecular arrangements and formulas. For the convenience of such students with special needs, it is necessary to come up with easy, comprehensive,…

Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…

While computational chemistry continues to play a growing role in chemical research, issues with access and the timing of when these tools are introduced to chemistry students remain as barriers to wider interest and use. The accessibility of free software for chemical modeling has increased in recent years, promoting the inclusion of…

In the laboratory, data acquisition systems are important, as they allow us to easily and precisely collect data. In this sense, Arduino emerges as an automatic data acquisition device with great potential, due to its low cost and high versatility. In this work, we describe the development of an experimental apparatus, with automatic data…

Scientific computing and computer literacy are increasingly important skills for chemistry students to learn, but despite this need, there is an absence of chemistry-specific texts available for teaching the subject. This article introduces a freely available textbook released under a Creative Commons license for use in an undergraduate scientific…

The Fourier transformation (FT) is a mathematical process frequently encountered by chemistry students. However, it remains an automated background process perceived by many students as difficult to understand. In this paper we present a simple open-source web application, which can help students to understand the basics of the FT applied to…

The advance of digital technology presents an opportunity to equip students with relevant skill sets as "Scientists of the Future" who are able to utilize knowledge at the interface between various disciplines. In this technology report, an open source programming language is used to automate a simple laboratory experiment commonly…

The increasing use of information technology in the discovery of new molecular entities encourages the use of modern molecular-modeling tools to help teach important concepts of drug design to chemistry and pharmacy undergraduate students. In particular, statistical models such as quantitative structure--activity relationships (QSAR)--often as its…

A novel technology that employs computer vision (CV) to carry out an automatic titration experiment is presented. The experiment is designed to facilitate understanding of the basics of the CV technology and its application in chemistry among undergraduate students. The standard chemical procedure of titration has been chosen, since it is…

Principal component analysis (PCA) is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. Running a PCA results in two main elements, the score plot and the loading plot; the score plot provides the location of the samples, and the loading plot indicates correlations among variables, the trends in…

In response to the closure of many university laboratories due to the COVID-19 pandemic in 2020, a handbook and remote webinar approach designed to support students in the use of software tools for computer-aided drug design has been developed. Specifically, the course has been designed for chemistry and pharmacy students who have little or no…