There has been considerable interest in predicting the properties of nitro‐energetic materials to improve their performance. Not to mention insightful physical knowledge, computational‐aided molecular studies can expedite the synthesis of novel energetic materials through cost reduction labours and risky experimental tests. In this paper, quantitative structure–property relationship based on multi‐expression programming employed to correlate the formation enthalpies of frequently used nitro‐energetic materials with their molecular properties. The simple yet accurate obtained model is able to correlate the formation enthalpies of nitro‐energetic materials to their molecular structure with the accuracy comparable to experimental precision.
A real-time technique that does not rely on chemical interfaces or biological receptors for molecular identification of picogram quantities of biomaterials such as DNA molecules in a high throughput fashion is described. This technique combines the extremely high sensitivity of microfabricated bi-material cantilever beams with the high selectivity of mid infrared (IR) spectroscopy to nanomechanically transduce the photon absorption-induced temperature variations of the molecules. Picogram amounts of target molecules were first adsorbed on the cantilever without using any receptors. Illuminating a bi-material cantilever sequentially with a mid-IR radiation results in photon absorption by the molecule at a certain wavelength, which results in a small temperature variation, and the resultant deflection of the bi-material cantilever. A plot of cantilever deflection as a function of an illuminating wavelength closely follows the IR absorption spectrum of the target molecules. We have used this technique to rapidly identify different DNA strands.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.