No abstract

A statistical metric, based on the magnitude and standard deviations along linear projections of clustered array response data, was utilized to facilitate an evaluation of the performance of detector arrays in various vapor classification tasks. This approach allowed quantification of the ability of a 14-element array of carbon black-insulating polymer composite chemiresistors to distinguish between members of a set of 19 solvent vapors, some of which vary widely in chemical properties (e.g., methanol and benzene) and others of which are very similar (e.g., n-pentane and n-heptane). The data also facilitated evaluation of questions such as the optimal number of detectors required for a specific task, whether improved performance is obtained by increasing the number of detectors in a detector array, and how to assess statistically the diversity of a collection of detectors in order to understand more fully which properties are underrepresented in a particular set of array elements. In addition, the resolving power of arrays of carbon black-polymer composites was compared to the resolving power of specific collections of bulk conducting organic polymer or tin oxide detector arrays in a common set of vapor classification tasks.

Tangible models help students and researchers visualize chemical structures in three dimensions (3D). 3D printing offers a unique and straightforward approach to fabricate plastic 3D models of molecules and extended solids. In this article, we prepared a series of digital 3D design files of molecular structures that will be useful for teaching chemical education topics such as symmetry and point groups. Two main file preparation methods are discussed within this article that outlines how to prepare 3D printable chemical structures. Both methods start with either a crystallographic information file (.cif) or a protein databank (.pdb) file and are ultimately converted into a 3D stereolithography (.stl) file by using a variety of commercially and freely available software. From the series of digital 3D chemical structures prepared, 18 molecules and 7 extended solids were 3D printed. Our results show that the file preparation methods discussed within this article are both suitable routes to prepare 3D printable digital files of chemical structures. Further, our results also suggest that 3D printing is an excellent method for fabricating 3D models of molecules and extended solids.

Treatment of Si(TPP)Cl2 (TPP = tetraphenylporphyrinato) with 2 equiv of Na/Hg in THF yields the reduced porphyrin complex, Si(TPP)(THF)2, in which the porphyrin ring system has an oxidation state of 4- and the complex is antiaromatic. Single-crystal X-ray diffraction reveals that Si(TPP)(THF)2 is highly ruffled and exhibits a unique C-C bond length alternation around its periphery. In addition, experimental 1H and 29Si NMR chemical shifts and NICS (nucleus-independent chemical shift) calculations on a model compound indicate a strong paratropic ring current in Si(TPP).