Puns and wordplay in Science

In 1975, E. M. Southern developed an elegant method to detect specific DNA after gel electrophoresis (J. Mol. Biol. 98, 503-517) . His technique soon became known as "the Southern blot", and the paper has so far gathered >35 thousand citations. This number is a dramatic under-estimate of the impact of Southern blot in the field of molecular biology, as the technique has became routine and "common knowledge", which means that most practitioners no longer cite the original paper. In 1977, a variation of the technique was developed by Alwine et al. to detect RNA. The name "Northern blotting" was soon proposed for their technique, as a wordplay on the original method. The application of a similar technique on proteins is called "Western blotting".

Naming methods (or variations) using wordplay is not limited to biochemical techniques. In computational chemistry, novel basis sets obtained from the well-known aug-cc-pVXZ basis set family by decreasing the number of polarization basis functions have recently been proposed by Don Truhlar. In a humorous touch, the aug- prefix (originally an abreviation of augmented) was considered an abbreviation of August. The new, smaller, basis sets aretherefore called apr-cc-pVXZ, may-cc-pVXZ, jun-cc-pVXZ and jul-cc-pVXZ. Not outright comedy material, but it does bring a quirky smile to your lips, right?

QM molecular dynamics

In classical molecular dynamics simulations, we follow the evolution of a system of particles that interact with each other according to newtonian mechanics. The correct description of chemical bonds, angles and torsions in classical mechanics can only be achieved by introducing carefully parameterized expressions that represent the change in electronic energy upon stretching/compressing a bond, or bending an angle. These parameterized force fields (AMBER, CHARMM, GROMOS, YASARA, OPLS) allow the simulation of very large systems (>10000 atoms) for long simulation times (>20 ns) with an obvious drawback: the quality of the simulations is only as good as the quality of the parameterized expressions, and therefore one is limited to the simulation of specific classes of previously characterized molecules/functional groups. Simulating chemical reactions is generally not possible without special protocols (like thermodynamic integration).

Ab initio molecular simulations (e.g. Car-Parrinello MD) are much more expensive, and are generally limited to (at most) a few dozen atoms and <100 ps. Two papers from Prof. Shogo Sakai's group show that QM molecular simulations can be performed with considerable time-savings if the system is partitioned into several smaller systems. They have not yet developed the theory to the point where one can attempt bond-breaking, but theirs seems a fruitful approach to the problem.