A posteriori error estimates for mixed finite element approximations of parabolic problems

We derive residual based a posteriori error estimates for parabolic problems on mixed form solved using Raviart–Thomas–Nedelec finite elements in space and backward Euler in time. The error norm considered is the flux part of the energy, i.e. weighted L ²(Ω) norm integrated over time. In order to get an optimal order bound, an elementwise computable post-processed approximation of the scalar variable needs to be used. This is a common technique used for elliptic problems. The final bound consists of terms, capturing the spatial discretization error and the time discretization error and can be used to drive an adaptive algorithm.     

Chelation-mediated palladium(II)-catalyzed domino Heck-Mizoroki/Suzuki-Miyaura reactions using arylboronic acids: increasing scope and mechanistic understanding

A palladium(II)-catalyzed Heck-Mizoroki/Suzuki-Miyaura domino reaction involving metal coordinating dimethylaminoethyl vinyl ethers and a number of electron-rich and electron-deficient arylboronic acids has been developed. Through variation of the temperature and the concentration of the p-benzoquinone (p-Bq) ligand/reoxidant, conditions for the robust and convenient one-pot generation of diarylated-saturated ethers were identified. With the aid of coordination of the dimethylamino group to the arylpalladium intermediate, the otherwise predominant formation of the β-arylated olefin could be reversed. A reaction route involving a chelation-controlled carbopalladation, providing a p-Bq stabilized six-membered palladacycle, followed by transmetalation and reductive elimination is suggested to explain the selective formation of saturated diarylated ether products.     

Microwave-assisted synthesis of Weinreb and MAP aryl amides via Pd-catalyzed Heck aminocarbonylation using Mo(CO)6 or W(CO)6

A simple and expedient process for the Heck aminocarbonylative synthesis of Weinreb and MAP amide acylating agents, from aryl halides, is reported. This methodology utilizes solid sources of CO making it readily accessible to chemists working in small-scale laboratory applications.     

An isoindigo-based low band gap polymer for efficient polymer solar cells with high photo-voltage

A new low band gap polymer (E(g) = 1.6 eV) with alternating thiophene and isoindigo units was synthesized and characterized. A PCE of 3.0% and high open-circuit voltage of 0.89 V were realized in polymer solar cells, which demonstrated the promise of isoindigo as an electron deficient unit in the design of donor-acceptor conjugated polymers for polymer solar cells.     

Rational redesign of Candida antarctica lipase B for the ring opening polymerization of D,D-lactide

Based on molecular modelling, the enzyme Candida antarctica lipase B was redesigned as a catalyst for the ring opening polymerization of D,D-lactide. Two mutants with 90-fold increased activity as compared to the wild-type enzyme were created. In a preparative synthesis of poly(D,D-lactide) the mutants greatly improved the rate and the degree of polymerization.     

Contribution from a hole-conducting dye to the photocurrent in solid-state dye-sensitized solar cells

The hole transporting medium in solid-state dye-sensitized solar cells can be utilized to harvest sunlight. Herein we demonstrate that a triphenylamine-based dye, used as hole-transporting medium, contributes to the photocurrent in a squaraine-sensitized solid-state dye-sensitized solar cell. Steady-state photoluminescence measurements have been used to distinguish between electron transfer and energy transfer processes leading to energy conversion upon light absorption in the hole-transporting dye.     

A note on global stability of three-dimensional Ricker models

In the recent paper [E. C. Balreira, S. Elaydi, and R. Luís, J. Differ. Equ. Appl. 23 (2017), pp. 2037–2071], Balreira, Elaydi and Luís established a good criterion for competitive mappings to have a globally asymptotically stable interior fixed point by a geometric approach. This criterion can be applied to three dimensional Kolmogorov competitive mappings on a monotone region with a carrying simplex whose planar fixed points are saddles but globally asymptotically stable on their positive coordinate planes. For three dimensional Ricker models, they found mild conditions on parameters such that the criterion can be applied to. Observing that Balreira, Elaydi and Luís' discussion is still valid for the monotone region with piecewise smooth boundary, we prove in this note that the interior fixed point of three dimensional Kolmogorov competitive mappings is globally asymptotically stable if they admit a carrying simplex and three planar fixed points which are saddles but globally asymptotically stable on their positive coordinate planes. This result is much easier to apply in the application.     

Microchip electrophoresis for specific gene detection of the pathogenic bacteria V. cholerae by circle-to-circle amplification.

We have developed a new method for a fast and precise analysis of circle-to-circle amplification (C2CA) product for specific gene detection by microchip electrophoresis. In this method, we have added a new enzymatic step to the C2CA reaction, which could be carried out isothermally at 37 degrees C. Compared to the original single-stranded DNA, the double-stranded DNA that is produced by this enzymatic reaction is more reliable for analysis by microchip electrophoresis. C2CA product was detected within 55 s with high reproducibility by this method which was successfully applied to the detection of 10-ng genomic DNA of the pathogenic bacteria Vibrio. cholerae within 110 s. Purification was found to be an indispensable step for the analysis of the C2CA product of genomic DNA samples.     

Controlled fed-batch fermentations of dilute-acid hydrolysate in pilot development unit scale

Inhibitors formed during wood hydrolysis constitute a major problem in fermenting dilute-acid hydrolysates. By applying a fed-batch technique, the levels of inhibitory compounds may be held low, enabling high ethanol productivity. In this study, a previously developed fed-batch strategy was modified and implemented for use in pilot development unit (PDU) scale. The rate of total gas formation, measured with a mass flow meter, was used as input variable in the control algorithm. The feed rate in the PDU-scale experiments could be properly controlled based on the gas evolution from the reactor. In fed-batch experiments utilizing TMB 3000, an inhibitor-tolerant strain of Saccharomyces cerevisiae, close to 100% of the hexoses in the hydrolysate was converted.