Highly Efficient Quasi 2D Blue Perovskite Electroluminescence Leveraging a Dual Ligand Composition

Perovskite light-emitting diodes (PeLEDs) are advancing because of their superior external quantum efficiencies (EQEs) and color purity. Still, additional work is needed for blue PeLEDs to achieve the same benchmarks as the other visible colors. This study demonstrates an extremely efficient blue PeLED with a 488 nm peak emission, a maximum luminance of 8600 cd m⁻², and a maximum EQE of 12.2% by incorporating the double-sided ethane-1,2-diammonium bromide (EDBr₂) ligand salt along with the long-chain ligand methylphenylammonium chloride (MeCl). The EDBr₂ successfully improves the interaction between 2D perovskite layers by reducing the weak van der Waals interaction and creating a Dion–Jacobson (DJ) structure. Whereas the pristine sample (without EDBr₂) is inhibited by small stacking number (n) 2D phases with nonradiative recombination regions that diminish the PeLED performance, adding EDBr₂ successfully enables better energy transfer from small n phases to larger n phases. As evidenced by photoluminescence (PL), scanning electron microscopy (SEM), and atomic force microscopy (AFM) characterization, EDBr₂ improves the morphology by reduction of pinholes and passivation of defects, subsequently improving the efficiencies and operational lifetimes of quasi-2D blue PeLEDs.     

Modulating Backbone Conjugation of Polymeric Thermally Activated Delayed Fluorescence Emitters for High-Efficiency Blue OLEDs

Blue conjugated polymers-based OLEDs with both high efficiency and low efficiency roll-off are under big challenge. Herein, a strategy of local conjugation is proposed to construct high-efficiency blue-emitting conjugated polymers, in which the conjugation degree of polymeric backbones is adjusted by inserting different spacers. In this way, the energy level of triplet state and the energy transfer direction of the polymeric main-chains can be effectively regulated. Benefiting from such fine regulation, the prepared alternative copolymers Alt-PB36 with local conjugated main-chains can better suppress the accumulation of long-lived triplet excitons comparing with the complete conjugated polymers. The higher PLQY of Alt-PB36 also verifies the effective energy transfer from the polymeric main-chains to the TADF units. Accordingly, Alt-PB36 based solution-processed OLEDs achieve an EQE_max of 11.6% and a very low efficiency roll-off of 2.8% at 100 cd m⁻² and 15.2% at 500 cd m⁻². This result represents the best efficiency among blue light-emitting conjugated polymer-based OLEDs so far under high luminance.     

SRI-Net: Similarity retrieval-based inference network for light field salient object detection

The cutting-edge RGB saliency models are prone to fail for some complex scenes, while RGB-D saliency models are often affected by inaccurate depth maps. Fortunately, light field images can provide a sufficient spatial layout depiction of 3D scenes. Therefore, this paper focuses on salient object detection of light field images, where a Similarity Retrieval-based Inference Network (SRI-Net) is proposed. Due to various focus points, not all focal slices extracted from light field images are beneficial for salient object detection, thus, the key point of our model lies in that we attempt to select the most valuable focal slice, which can contribute more complementary information for the RGB image. Specifically, firstly, we design a focal slice retrieval module (FSRM) to choose an appropriate focal slice by measuring the foreground similarity between the focal slice and RGB image. Secondly, in order to combine the original RGB image and the selected focal slice, we design a U-shaped saliency inference module (SIM), where the two-stream encoder is used to extract multi-level features, and the decoder is employed to aggregate multi-level deep features. Extensive experiments are conducted on two widely used light field datasets, and the results firmly demonstrate the superiority and effectiveness of the proposed SRI-Net.     

聚对苯二甲酸乙二酯形态结构的光散射研究

在不同结晶条件下,聚对苯二甲酸乙二酯样品出现了三种不同的光散射图形(正常球晶、异常球晶和混合球晶散射图形)。并假定正常球晶的光轴方向与半径垂直;异常球晶的光轴方向与半径夹+45°角或-45°角;混合球晶则是正常球晶与异常球晶叠加的结果。基于这些假定,按照Clough的计算公式,用二维球晶模型分别对具有上述各种光轴取向的球晶进行了计算。结果表明,计算出的H_v、V_v散射图形与实验所得的散射图形符合得很好。偏光显微镜的观察结果也进一步证实了这些模型的假定。     

Prediction of aqueous solubility of drugs and pesticides with COSMO-RS

The COSMO-RS method, originally developed for the prediction of liquid-liquid and liquid-vapor equilibrium constants based on quantum chemical calculations, has been extended to solid compounds by addition of a heuristic expression for the Gibbs free energy of fusion. By this addition, COSMO-RS is now capable of a priori prediction of aqueous solubilities of a wide range of typical neutral drug and pesticide compounds. Only three parameters in the heuristic expression have been fitted on a data set of 150 drug-like compounds. On these data an rms deviation of 0.66 log-units was achieved. Later, the model was tested on a set of 107 pesticides, which have been critically selected based on two experimental data sources and by a crosscheck with an independent HQSAR model. On this data set an rms of 0.61 log-units was achieved, without any adjustments to the structurally extremely diverse pesticides. This result verifies the ability of this extended COSMO-RS to predict aqueous solubilities of drugs and pesticides of almost arbitrary structural classes. The new method is COSMO-RSol.     

Identification of formylglycine in sulfatases by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

C(alpha)-Formylglycine, the catalytic amino acid residue in the active site of sulfatases, is generated by post-translational modification of a cysteine or serine residue. We describe a highly sensitive procedure for the detection of C(alpha)-formylglycine-containing peptides in tryptic digests of sulfatase proteins. The protocol is based on the formation of hydrazone derivatives of C(alpha)-formylglycine-containing peptides when using dinitrophenylhydrazine as a matrix for matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS). The hydrazone derivatives desorb and ionize with high efficiency and can be detected in the sub-femtomole range. The presence of C(alpha)-formylglycine is indicated by a mass increment of 180.13 u, corresponding to the hydrazone moiety, and also by a unique C-terminal fragment ion, characteristic of sulfatases, that becomes prominent in MALDI post-source decay mass spectra of the hydrazone derivatives.     

SSZ-53 and SSZ-59: two novel extra-large pore zeolites

The syntheses, structure solutions, and physicochemical and catalytic characterizations of the novel zeolites SSZ-53 and SSZ-59 are described. SSZ-53 and SSZ-59 were synthesized under hydrothermal conditions with the [1-(4-fluorophenyl)cyclopentylmethyl]trimethyl ammonium cation and 1-[1-(4-chlorophenyl)cyclopentylmethyl]-1-methyl azocanium cation, respectively, as structure-directing agents. The framework topology of SSZ-53 was solved with the FOCUS method, and the structure of SSZ-59 was determined by model building. Rietveld refinement of synchrotron X-ray powder diffraction data confirms each proposed model. SSZ-53 and SSZ-59 each possess a one-dimensional channel system delimited by 14-membered rings. Results from transmission electron microscopy, electron diffraction, catalytic experiments (spaciousness index and constraint index tests), and argon and hydrocarbon adsorption experiments are consistent with the proposed structures.     

Synthesis of tumor-associated glycopeptide antigens for the development of tumor-selective vaccines

In contrast to normal cells, the glycoprotein profile on epithelial tumor cells is distinctly altered. Due to an incomplete formation of the glycan side-chains resulting from a premature sialylation, additional peptide epitopes become accessible to the immune system in mucin-type glycoproteins on tumor cells. These tumor-associated structure alterations constitute the basis for a selective immunological attack on cancer cells. For the construction of immunostimulating antigens, glycopeptide partial structures from the mucins MUC1 and MUC4 carrying the tumor-associated sialyl-T(N), alpha2,6-sialyl-T and alpha2,3-sialyl-T antigens have been synthesized. Employing different linkers such as the allylic HYCRON or the fluoride-sensitive PTMSEL anchor, the antigenic glycopeptide structures were constructed on the solid phase utilizing pre-assembled glycosyl amino acid building blocks prepared in solution by convergent chemical or chemoenzymatic strategies. The proliferation of cytotoxic T cells has been induced applying a construct composed of a sialyl-T(N) MUC1-glycopeptide conjugated with a tetanus toxin T cell peptide epitope.     

Theoretical study of the ring‐closing reaction of 5′‐AMP to cAMP and H2O in the gas phase

The ring‐closing reaction of 5′‐adenosine monophosphate (5′‐AMP) to generate cyclic 3′, 5′‐adenosine monophosphate (cAMP) and H₂O was theoretically investigated at the B3LYP/6‐31G**level. It was found that the ring‐closing reaction of 5′‐AMP may proceed in a synchronous way or in a stepwise way. For the latter, the reaction is a multichannel elimination reaction including inner H transfer. The potential energy surface of Path 3 is lowest in all the ring‐closing reaction paths. In addition, H shuttling reaction with the participation of a water molecule to act as a shuttle were also studied at the same level. The calculations indicate that the participation of a water molecule facilitates hydrogen transfer reaction. Our present calculations rationalized all the possible reaction channels. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005