Influences of Connecting Unit Architecture on the Performance of Tandem Organic Light‐Emitting Devices

The present work investigates the influence of the n‐type layer in the connecting unit on the performance of tandem organic light‐emitting devices (OLEDs). The n‐type layer is typically an organic electron‐transporting layer doped with reactive metals. By systematically varying the metal dopants and the electron‐transporting hosts, we have identified the important factors affecting the performance of the tandem OLEDs. Contrary to common belief, device characteristics were found to be insensitive to metal work functions, as supported by the ultraviolet photoemission spectroscopy results that the lowest unoccupied molecular orbitals of all metal‐doped n‐type layers studied here have similar energy levels. It suggests that the electron injection barriers from the connecting units are not sensitive to the metal dopant used. On the other hand, it was found that performance of the n‐type layers depends on their electrical conductivities which can be improved by using an electron‐transporting host with higher electron mobility. This effect is further modulated by the optical transparency of constituent organic layers. The efficiency of tandem OLEDs would decrease as the optical transmittance decreases.     

Modeling of a membrane reactor system for crude palm oil transesterification. Part II: Transport phenomena

The mechanistic modeling of biodiesel production process in membrane reactor with the consideration of chemical reaction, phase equilibrium, and ultrafiltration is important for the membrane reactor design. In part II of this work, the chemical and phase equilibrium (CPE) model for crude palm oil transesterification reaction in the membrane reactor developed in part I is extended to an integration of CPE with modified Maxwell–Stefan model, which considers multicomponent mass transport phenomena of concentration polarization and intramembrane. A good fit of simulated permeate fluxes and apparent solute rejection to the experimental data shows that the model has a good prediction capability. Reversible fouling was found to be the major fouling and no pore plugging was observed. Simulation results verified that micelles were retained by the membrane at CPO:MEOH molar ratio of 1:24 and catalyst concentration of 0.5 wt %. However, phase inversion happened when catalyst concentration of 0.05 and 0.1 wt % were used. © 2015 American Institute of Chemical Engineers AIChE J, 61: 1981–1996, 2015     

Urethane‐forming reaction kinetics and catalysis of model palm olein polyols: Quantified impact of primary and secondary hydroxyls

Model palm olein natural oil polyols (NOPs) with varying ratios of primary to secondary hydroxyls were synthesized, characterized, and evaluated in reaction kinetics study with isocyanate in formation of polyurethanes. Reaction rate constants and activation energies associated with primary and secondary hydroxyls of NOPs were quantified. The kinetic study in toluene shows that the NOP containing primary hydroxyls have three times higher reaction rate constants in noncatalyzed reaction with 4,4′‐diphenylmethane diisocyanate (4,4′‐MDI) compared to the model NOP containing only secondary hydroxyls, which is associated with higher activation energy of secondary hydroxyls. However, the difference in reaction rate constants of primary and secondary hydroxyls in NOPs diminished in the reactions catalyzed with dibutyltin dilaurate. Bulk polymerization reaction confirms the kinetics results in toluene, showing that the model NOP containing primary hydroxyls reached gel time at a faster rate. Evaluation of elastomers from bulk polymerization shows low degree of phase separation of hard and soft segments for elastomers based on the model NOPs. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 42955.     

Quality assurance of Chinese herbal medicines: Procedure for multiple‐herb extraction

A quality assurance (QA) procedure for multiple‐herb extraction, which takes into account the existence of common chemical markers and multiple‐herb‐extraction effects, has been developed for producing Chinese herbal medicines (CHMs) of consistent quality. The experimental method for determining related correlation function of the multiple‐herb‐extraction effect was designed. A systematic solution strategy was also developed to appropriately decompose the multiple‐herb extraction system into several subsystems for obtaining solution(s) and determining the overall behavior of the system. An example of QA of Danshen–Gegen (DG) decoction was used to demonstrate the QA procedure. An H9c2 cell assay was used to test the efficacy of consistent quality DG decoctions prepared by different herb combinations with different material costs of herbs. It was observed that a multiple‐herb‐extraction effect was present in the aqueous extraction of Danshensu and this effect was depended on the extraction solvent. The possible mechanism of this multiple‐herb‐extraction effect in the aqueous DG extraction was speculated to be the change of initial pH value of the aqueous extraction solvent by an unknown component from Gegen. The experimental chemical marker concentrations fell within ±10% of the specified chemical marker compositions by using the amount of herb from each herb class as predicted by the QA model. Furthermore, an H9c2 cell assay was used to test the efficacy of three consistent quality DG extracts, which were produced by different herb combinations with different material costs of herbs. The results showed that the three DG extracts provided consistent biological efficacy against menadione‐induced toxicity. This study extended a recently developed QA procedure of single‐herb extraction to multiple‐herb extraction. It provides a solution of QA in extraction, which is one of the most important unresolved problems in the modernization of traditional Chinese medicines. With this modified model and the companion experiments, the amount of herbs needed from different quality classes to produce a multiple‐herb formula CHM product decoction with consistent quality can be exactly determined. © 2014 American Institute of Chemical Engineers AIChE J 60: 4014–4026, 2014     

Elastic moduli of a liquid crystalline polymer and its in-situ composites

The elastic moduli of a liquid crystalline polyesteramide (LCP) and polycarbonate/LCP in-situ composites with 10 to 80 wt% of LCP have been measured as functions of draw ratio λ from 1 to 15 by an ultrasonic method. For the LCP, the sharp rise of the axial Young's modulus E₃ and the slight decreases of the transverse Young's modulus E₁ and the axial (C₄₄) and transverse (C₆₆) shear modulus with increasing λ result from the alignment of chains along the draw direction. E₁, C₄₄, and C₆₆ follow the lower bounds calculated using the series coupling scheme of the aggregate model. Although E₃ lies close to the lower bound at low λ, it follows the upper bound calculated according to the parallel coupling scheme at λ > 3. The elastic moduli of the composites have similar draw ratio dependences as those of the LCP. The strong increase in E₃ with increasing λ arises from the higher aspect ratio of the LCP domains in the composites and the improved molecular orientation within the domains. The reinforcement effect on the other moduli is much weaker, with E₁ and C₄₄ of the composites only 5 to 30% higher than those of polycarbonate at λ = 15. Since C₆₆ of the LCP decreases to a value below that of polycarbonate at λ > 2, there is a positive reinforcement effect at low λ but a negative effect at high λ.     

Determination of perchlorate in infant formula by isotope dilution ion chromatography/tandem mass spectrometry

A sensitive and selective isotope dilution ion chromatography/tandem mass spectrometry (ID IC-MS/MS) method was developed and validated for the determination of perchlorate in infant formula. The perchlorate was extracted from infant formula by using 20 ml of methanol and 5 ml of 1% acetic acid. All samples were spiked with (18)O(4) isotope-labelled perchlorate internal standard prior to extraction. After purification on a graphitised carbon solid-phase extraction column, the extracts were injected into an ion chromatography system equipped with an Ionpac AS20 column for separation of perchlorate from other anions. The presence of perchlorate in samples was quantified by isotope dilution mass spectrometry. Analysis of both perchlorate and its isotope-labelled internal standard was carried out on a Waters Quattro Ultima triple quadrupole mass spectrometer operating in a multiple reaction monitoring (MRM) negative ionisation mode. The method was validated for linearity and range, accuracy, precision, sensitivity, and matrix effects. The limit of quantification (LOQ) was 0.4 μg l(-1) for liquid infant formula and 0.95 μg kg(-1) for powdered infant formula. The recovery ranged from 94% to 110% with an average of 98%. This method was used to analyse 39 infant formula, and perchlorate concentrations ranging from 相似文献   

Numerical investigation of the drag closure for bubbles in bubble swarms

The present paper describes an Euler–Lagrange model utilizing a drag closure derived from direct numerical simulations (front-tracking model) for (i) single isolated bubbles and (ii) bubbles rising in bubble swarms, expressed as a function of the local gas fraction. The model is applied to the prediction of an air/water system in a bubble column and for which experimental data is available. The effect of variation in size of the mapping window for the interphase coupling between the Eulerian and Lagrangian framework is investigated for both closure relations. It is found that the drag closure as a function of the local gas fraction is an improvement over the use of the drag closure for isolated single bubbles for the prediction of bubbly flow.     

Attenuation of iNOS and COX2 by blueberry polyphenols is mediated through the suppression of NF-κB activation

Treatment of BV2 microglial cells with blueberry extracts has been shown to be effective in reducing lipopolysaccharide (LPS)-induced proinflammatory mediators such as nitric oxide (NO), tumor necrosis factor-alpha (TNF-α), interleukin-1 beta (IL-1β), inducible NO synthase (iNOS), and cyclooxygenase 2 (COX2). The current study explored the possibility that the down-regulation of iNOS and COX2 by blueberry extracts was mediated through NF-κB signaling pathway. A column-purified fraction of polyphenol-enriched blueberry extract (PC18) was used to treat LPS-activated BV2 cells. The results thus far showed that blueberry polyphenols significantly suppressed iNOS and COX2 promoter activities. In addition, blueberry polyphenols inhibited NF-κB nuclear translocation in LPS-activated BV2 cells. These findings suggested that the beneficial effects of blueberries may involve direct modulation of oxidative stress and/or inflammatory signaling cascades.     

COSMO-RS:An ionic liquid prescreening tool for gas hydrate mitigation

Recently ionic liquids(ILs) are introduced as novel dual function gas hydrate inhibitors. However, no desired gas hydrate inhibition has been reported due to poor IL selection and/or tuning method. Trial error as well as selection based on existing literature are the methods currently employed for selecting and/or tuning ILs. These methods are probabilistic, time consuming, expensive and may not result in selecting high performance ILs for gas hydrate mitigation. In this work, COSMO-RS is considered as a prescreening tool of ILs for gas hydrate mitigation by predicting the hydrogen bonding energies(E_(HB)) of studied IL inhibitors and comparing the predicted E_(HB) to the depression temperature(?) and induction time. Results show that, predicted EHBand chain length of ILs strongly relate and significantly affect the gas hydrate inhibition depression temperature but correlate moderately(R = 0.70) with average induction time in literature. It is deduced from the results that, ? increases with increasing IL EHBand/or decreases with increasing chain length. However, the cation–anion pairing of ILs also affects IL gas hydrate inhibition performance. Furthermore, a visual and better understanding of IL/water behavior for gas hydrate inhibition in terms of hydrogen bond donor and acceptor interaction analysis is also presented by determining the sigma profile and sigma potential of studied IL cations and anions used for gas hydrate mitigation for easy IL selection.