Ester-functionalized poly(3-alkylthiophene) copolymers: Synthesis,physicochemical characterization and performance in bulk heterojunction organic solar cells

The introduction of functional moieties in the donor polymer (side chains) offers a potential pathway toward selective modification of the nanomorphology of conjugated polymer:fullerene active layer blends applied in bulk heterojunction organic photovoltaics, pursuing morphology control and solar cell stability. For this purpose, two types of poly(3-alkylthiophene) random copolymers, incorporating different amounts (10/30/50%) of ester-functionalized side chains, were efficiently synthesized using the Rieke method. The solar cell performance of the functionalized copolymers was evaluated and compared to the pristine P3HT:PCBM system. It was observed that the physicochemical and opto-electronic characteristics of the polythiophene donor material can be modified to a certain extent via copolymerization without (too much) jeopardizing the OPV efficiency, as far as the functionalized side chains are introduced in a moderate ratio (<30%) and that preference is given to side chains with a small molar volume. A range of complementary techniques – UV–Vis spectroscopy, (modulated temperature) differential scanning calorimetry, transmission electron microscopy and X-ray diffraction analysis – indicated that variations in polymer crystallinity, while maintaining a high level of regioregularity, are probably the main factor responsible for the observed differences.     

Substrate Activity Screening (SAS) and Related Approaches in Medicinal Chemistry

Substrate activity screening (SAS) was presented a decade ago by Ellman and co‐workers as a straightforward methodology for the identification of fragment‐sized building blocks for enzyme inhibitors. Ever since, SAS and variations derived from it have been successfully applied to the discovery of inhibitors of various families of enzymatically active drug targets. This review covers key achievements and challenges of SAS and related methodologies, including the modified substrate activity screening (MSAS) approach. Special attention is given to the kinetic and thermodynamic aspects of these methodologies, as a thorough understanding thereof is crucial for successfully transforming the identified fragment‐sized hits into potent inhibitors.     

Separation of He/N2/CH4 ternary mixtures by a triple-reflux pressure swing adsorption process

Conventional pressure swing adsorption (PSA) processes can only produce one high purity product in a single stage, whereas the state-of-art dual-reflux PSA (DR-PSA) can produce two high purity products simultaneously. However, multicomponent gas separation is often required in the industry, targeting at recovering several valued products at the same time. In this study, we propose a novel adsorption process, namely triple-reflux PSA (TR-PSA), to separate three components simultaneously. A middle product outlet and a middle reflux stream were introduced to the adsorption columns of a conventional DR-PSA process to separate ternary mixtures of nitrogen, methane, and helium. Nonisothermal dynamic models were built to investigate the impacts of operating parameters particularly the location of the middle reflux/product stream and the middle reflux flow rates. Results showed that the TR-PSA process successfully separated ternary mixtures obtaining three enriched products simultaneously in a single stage, yielding a separation performance comparable to that of the double-stage DR-PSA with significantly lower capital and energy cost.     

Fiber Capacity Limits With Optimized Ring Constellations

In this letter, we calculate theoretical limits to fiber-optic transport capacity under the constraint of requiring the use of concentric multiring modulation alphabets. Subject to these conditions, we vary ring amplitude ratios and occupation probabilities to determine the capacity-optimized ring constellations. The technique used for fiber transmission calculations accurately captures all fiber nonlinear effects, with the accuracy limited by the noise and signal statistical properties only.     

Experience-based mitigation of age-related performance declines: Evidence from air traffic control.

[Correction Notice: An erratum for this article was reported in Vol 15(2) of Journal of Experimental Psychology: Applied (see record 2009-09189-003). In the article, the URL published for the supplemental material was incorrect. The correct URL is http://dx.doi.org/10.1037/a0014947.supp] Previous research has found age-related deficits in a variety of cognitive processes. However, some studies have demonstrated age-related sparing on tasks where individuals have substantial experience, often attained over many decades. Here, the authors examined whether decades of experience in a fast-paced demanding profession, air traffic control (ATC), would enable older controllers to perform at high levels of proficiency. The authors also investigated whether older controllers would show diminished age-related decrements on domain-relevant cognitive abilities. Both young and old controllers and noncontrollers performed a battery of cognitive and ATC tasks. Results indicate that although high levels of experience can reduce the magnitude of age-related decline on the component processes that underlie complex task performance, this sparing is limited in scope. More important, however, the authors observed experience-based sparing on simulated ATC tasks, with the sparing being most evident on the more complex air traffic control tasks. These results suggest that given substantial experience, older adults may be quite capable of performing at high levels of proficiency on fast-paced demanding real-world tasks. The implications of these findings for global skilled labor shortages are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Work–family conflict in work groups: Social information processing, support, and demographic dissimilarity.

We used social information processing theory to examine the effect of work–family conflict (WFC) at the work group level on individuals’ experience of WFC. Consistent with hypotheses, results suggest that WFC at the work group level influences individual WFC over and above the shared work environment and job demands. It was also observed that work group support and demographic dissimilarity moderate this relationship. Moderator analyses suggest that work group social support buffers WFC for individuals but is also associated with a stronger effect of work group WFC on individuals’ WFC. Moreover, the work group effect on individuals’ WFC was shown to be stronger for individuals who were demographically dissimilar to the work group in terms of sex and number of dependents. The interpretations and implications of these findings are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Towards solving the crystal structure of polytype 3R2 Mg–Al layered double hydroxides

An analysis of the crystal structure of polytype 3R₂ layered double hydroxides has been carried out based on XRPD diffractograms. Measurement of the transmission-XRPD pattern carried out in a spinning and tilting capillary using synchrotron radiation has been shown to diminish the preferred orientation effect of the sample. In order to approach the structure of polytype 3R₂, structural models, based on possible interlayer anion arrangement as revealed by FT-IR, 27-Al solid state NMR and XRPD, were constructed. A structural model is proposed that is consistent with the by XRPD measured interlayer distance, in which tetrahedral aluminate ions are grafted with their apical oxygen ions onto the octahedral sheet. The presence of a measured extra reflection at 2θ value of 6.3, which is not predicted by this structure, can be obtained however by enlargement of the unit cell to a′ = a√3 = 0.5279 nm and c′ = c = 2.1985 nm, which simulates the aluminate anions ordering in the interlayer.