Mechanism of cationic ring-opening polymerisation of ε-caprolactone using metallocene/borate catalytic systems: a DFT and NCI study on chain initiation, propagation and termination.

We present a comprehensive DFT investigation on the cationic ring-opening polymerisation (CROP) of ε-caprolactone (CL) using zirconocene/borate catalyst systems. All possible pathways of the interaction between cationic species [CpZrMe] and counteranions, [A] = [MeB(CF)] and [B(CF)], were examined during chain initiation, propagation, and termination steps. The calculations reveal an active chain-end mechanism with -alkyl bond cleavage of the polymerisation.

A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.

Coupled binuclear copper (CBC) enzymes have a conserved type 3 copper site that binds molecular oxygen to oxidize various mono- and diphenolic compounds. In this study, we found a new crystal form of catechol oxidase from Aspergillus oryzae (AoCO4) and solved two new structures from two different crystals at 1.8-Å and at 2.

High Aspect-Ratio Iridium-Coated Nanopillars for Highly Reproducible Surface-Enhanced Raman Scattering (SERS).

A variety of different gold and silver nanostructures have been proposed over the years as high sensitivity surface-enhanced Raman scattering (SERS) sensors. However, efficient use of SERS has been hindered by the difficulty of realizing SERS substrates that provide reproducible SERS response over the whole active area. Here, we show that atomic layer deposition (ALD) grown iridium can be used to produce highly reliable SERS substrates.

Compact middle-wave infrared Fabry-Perot interferometer with double metallic subwavelength gratings.

We demonstrate a compact middle-wave IR (MWIR) Fabry-Perot (FP) interferometer by replacing the traditional distributed Bragg reflectors consisting of thick multilayer films with two identical metallic subwavelength gratings. The transmission efficiency, resonance peak position, and finesse of the FP interferometer can be controlled by tuning the structural parameters. The performance of the MWIR FP interferometer is verified by experiment, which shows its potential application as, for example, narrowband MWIR filter for gas detection.

Enhanced dual-band infrared absorption in a Fabry-Perot cavity with subwavelength metallic grating.

The performance of infrared (IR) dual-band detector can be substantially improved by simultaneously increasing IR absorptions for both sensor bands. Currently available methods only provide absorption enhancement for single spectral band, but not for the dual-band. The Fabry-Perot (FP) cavity generates a series of resonances in multispectral bands.

Optimization of nonbinary slanted surface-relief gratings as high-efficiency broadband couplers for light guides.

We propose and investigate the use of slanted surface-relief gratings with nonbinary profiles as high-efficiency broadband couplers for light guides. First, a Chandezon-method-based rigorous numerical formulation is presented for modeling the slanted gratings with overhanging profiles. Then, two typical types of slanted grating couplers--a sinusoidal one and a trapezoidal one--are studied and optimized numerically, both exhibiting a high coupling efficiency of over 50% over the full band of white LED under the normal illumination of unpolarized light.