Synthesis of (Z)-alkenes is challenging because the (E) stereoisomers are usually more stable. Energy transfer photocatalysis has emerged as an efficient strategy for (E) [right arrow] (Z) alkene isomerization. We report the development of an advanced undergraduate laboratory experiment that introduces students to contemporary organic…

Enzymes are nature's catalysts, mediating chemical processes in living systems. The study of enzyme function and mechanism includes defining the maximum catalytic rate and affinity for substrate/s (among other factors), referred to as enzyme kinetics. Enzyme kinetics is a staple of biochemistry curricula and other disciplines, from molecular and…

Calculating analytical uncertainties as a part of method validation is a relevant aspect of field and laboratory practices in instrumental analytical chemistry subjects, which usually require complex algorithms. This work describes the development and didactic use of an automatic and straightforward informatics tool, implemented in an Excel macro,…

In all fields of chemistry, it has become essential to use quantum chemical calculations and machine learning for explaining and predicting chemical phenomena. However, it is challenging to apply textbook knowledge to practical research. In this study, we developed teaching material based on computational chemistry to promote the integration of…

In this laboratory activity, students were tasked with determining the heat of combustion for each of three common sugar substitutes: saccharin, aspartame, and sucralose. The heats of combustion were determined via three different methods: bomb calorimetry, heats of formation derived from semiempirical calculations, and tabulated average bond…

A method for using electronic structure calculations to predict the standard molar enthalpy of combustion for hydrocarbons is presented. In this approach, simple geometry optimizations can be used to accurately compute the enthalpy of combustion within 3% of the experimental value using Hartree-Fock, MP2, or virtually any functional in density…

In general, undergraduate experimental physics laboratories do not usually have experiments designed to address rolling friction and to measure the value of the rolling friction coefficient. This work explores an experiment, which has the potential to arouse students' curiosity about rolling friction by addressing a counterintuitive aspect of the…

A series of computational laboratory experiments aimed at teaching students principles of rational drug design are described and evaluated. These experiments range from an introduction to viewing protein-ligand complexes to optimizing geometries of potential drugs with quantum chemistry and automated docking. Student feedback indicates that such a…

A computational laboratory experiment investigating molecular models for hexagonal boron-carbon-nitrogen sheets (h-BCN) was developed and employed in an upper-level undergraduate chemistry course. Students used the Avogadro user interface for molecular editing and the WebMO interface for the quantum computational workflow. Density functional…

A novel method of measuring the coefficients of kinetic and rolling friction is proposed. The method is simple to implement and reliable. Samples of measurements and calculations are presented.

Surface modification has been considered as a fundamental item in upper-division undergraduate and master courses. Thus, the development of experiments regarding processes and characterization of surface-modification phenomena is highly desired. In this article, we propose an electrochemical and computational study of widely used…

The effects of substitution on reaction rates are at the heart of both physical chemistry and organic chemistry. In this paper, we present a computational laboratory module to explore the effects of group substitution and isotopic substitution on reaction rates by using a readily accessible graphical interface, a computational engine, and…

In the field of physics teaching, the simple pendulum provides a very simple way to study the harmonic oscillator, the source of some fundamental concepts such as periodicity, relaxation time and anharmonicity. As such, its experimental study is frequently integrated into high school or first year university programs. With this in mind, in this…

Providing exposure to the process and methods of science is a fundamental goal of any general education college science course. This is largely because most students taking such courses are generally "not" science majors, so they are likely to take few, if any, other science courses. Meeting this goal can be a challenge in courses such…

This two-period undergraduate laboratory experiment involves the synthesis of a mixture of isomeric unknowns, isolation of the mixture by means of distillation, and characterization of the two products primarily by NMR spectroscopy (1D and 2D) supported with IR spectroscopy and GC-MS techniques. Subsequent calculation and examination of the…