An ensemble learning framework for potential miRNA-disease association prediction with positive-unlabeled data

To explore the pathogenic mechanisms of MicroRNA (miRNA) on diverse diseases, many researchers have concentrated on discovering the potential associations between miRNA and disease using machine learning methods. However, the prediction accuracy of supervised machine learning methods is limited by lacking of experimentally-validated uncorrelated miRNA-disease pairs. Without these negative samples, training a highly accurate model is much more difficult. Different from traditional miRNA-disease prediction models using randomly selected unknown samples as negative training samples, we propose an ensemble learning framework to solve this positive-unlabeled (PU) learning problem. The framework incorporates two steps, i.e., a novel semi-supervised Kmeans (SS-Kmeans) to extract reliable negative samples from unknown miRNA-disease pairs and subagging method to generate diverse training sample sets to make full use of those reliable negative samples for ensemble learning. Combined with effective random vector functional link (RVFL) network as prediction model, the proposed framework showed superior prediction accuracy comparing with other popular approaches. A case study on lung and gastric neoplasms further confirms the framework’s efficacy at identifying miRNA disease associations.     

Quinoline-based aggregation-induced delayed fluorescence materials for highly efficient non-doped organic light-emitting diodes

Three new emitters,namely 10,10'-(quinoline-2,8-diyl)bis(10 H-phenoxazine)(Fene),10,10'-(quinoline-2,8-diyl)bis(10 H-phenothiazine)(Fens) and 10,10'-(quinoline-2,8-diyl)bis(9,9-dimethyl-9,10-dihydroacridine)(Yad),featuring quinoline as a new electron acceptor have been designed and conveniently synthesized.These emitters possessed small singlet-triplet splitting energy(ΔEst) and twisted structures,which not only endowed them show thermally activated delayed fluorescence(TADF)properties but also afforded a remarkable aggregation-induced emission(AIE) feature.Moreover,they also showed aggregation-induced delayed fluorescence(AIDF) property and good photoluminescence(PL) property,which are the ideal emitters for non-doped organic light-emitting diodes(OLEDs).Furthermore,high-performance non-doped OLEDs based on Fene,Fens and Yad were achieved,and excelle nt maximum external quantum efficiencies(EQE_(max)) of 14,9%,13.1% and 17,4%,respectively,were obtained.It was also found that all devices exhibited relatively low turn-on voltages ranging from 3.0 V to3.2 V probably due to their twisted conformation and the AIDF properties.These results demonstrated the quinoline-based emitters could have a promising application in non-doped OLEDs.     

Preparation and characterization of “green” hybrid clay-dye nanopigments

We obtained a low cost and abundant nanopigment material composed of Rhodamine B (Rh-B) organic dye compound and Unye bentonite (UB) clay from Turkey. The characterization of the nanopigment was investigated using scanning electron microscopy (SEM), particle size distribution, powder X-ray diffraction (PXRD), Fourier transformed infra-red spectroscopy (FT-IR) and thermal analysis techniques. According to the result of texture analyses, we showed that the particle size distribution (d: 0.5-mean distribution) of Rh-B/UB nanopigment material was around 100 nm diameter. It was also demonstrated that the samples had a particle size around nm diameter in SEM images. As seen in the PXRD and thermal analysis, there is a difference in basal spacing by 1.46° (2θ) and a higher mass loss by 7.80% in the temperature range 200–500 °C compared to the raw bentonite.     

Synthesis,characterization and electrochemical performances of LiFePO4/graphene cathode material for high power lithium-ion batteries

LiFePO₄/graphene (LiFePO₄/G) cathode with exciting electrochemical performance was successfully synthesized by liquid phase method. LiFePO₄ nanoparticles wrapped with multi-layered grapheme can be fabricated in a short time. This method did not need external heating source. Heat generated by chemical reaction conduct the process and removed the solvent simultaneously. The LiFePO₄/G were analyzed by X-ray diffraction (XRD) analysis, scanning electron microscope (SEM), transmission electron microscopy (TEM), magnetic properties analysis and electrochemical performance tests. The LiFePO₄/G delivered a capacity of 160 mAh g⁻¹ at 0.1C and could tolerate various dis-charge currents with a capacity retention rate of 99.8%, 99.2%, 99.0%, 98.6%, 97.3% and 95.0% after stepwise under 5C, 10C, 15C, 20C, 25C and 30C, respectively.     

Allyl phthalazinone synthesis,polymerization and polymer properties

A phthalazinone monomer with an allyl group, i.e. 4-（3-allyl-4-hydroxyphenyl）phthalazin-1（2H）-one, was synthesized and then copolymerized with 4-（4-hydroxylphenyl）（2H）-phthalazin-1-one and 2,6- diflurobenzonitrile by means of aromatic nucleophilic polycondensation to provide a series of crosslinkable poly（aryl ether nitrile）s. The virgin copolymers exhibited good solubility in polar organic solvents with relative high molecular weights （Mw： 45,130-58,403, inherent viscosities： 0.58-0.75 dL/ g）. After cross-linking, the thermal stability and solvent resistance of the polymer increased.     

Single-Atom Iron Catalysts on Overhang-Eave Carbon Cages for High-Performance Oxygen Reduction Reaction

Single-atom catalysts have drawn great attention, especially in electrocatalysis. However, most of previous works focus on the enhanced catalytic properties via improving metal loading. Engineering morphologies of catalysts to facilitate mass transport through catalyst layers, thus increasing the utilization of each active site, is regarded as an appealing way for enhanced performance. Herein, we design an overhang-eave structure decorated with isolated single-atom iron sites via a silica-mediated MOF-templated approach for oxygen reduction reaction (ORR) catalysis. This catalyst demonstrates superior ORR performance in both alkaline and acidic electrolytes, comparable to the state-of-the-art Pt/C catalyst and superior to most precious-metal-free catalysts reported to date. This activity originates from its edge-rich structure, having more three-phase boundaries with enhanced mass transport of reactants to accessible single-atom iron sites (increasing the utilization of active sites), which verifies the practicability of such a synthetic approach.     

有序介孔炭负载铜基催化剂Cu/CMK-3用于气相甲醇氧化羰基化反应

通过纳米浇铸法合成了有序介孔炭CMK-3,再通过浸渍法制备了Cu/CMK-3催化剂,并将其用于气相甲醇氧化羰基化反应。N2吸附-脱附测试、X射线衍射(XRD)以及透射电镜(TEM)的表征结果表明,Cu/CMK-3具有序介孔结构,活性Cu物种均匀分散于CMK-3的表面及孔道中,粒径为10~20 nm,远小于相同条件下制备的铜/活性炭(Cu/AC)催化剂。固定床反应器的活性评价结果显示450℃下制备的Cu/CMK-3催化活性最高,反应10 h内碳酸二甲酯(DMC)的时空收率(STY)达到286 mg·g^-1·h^-1,选择性为76%。长周期活性评价结果表明Cu/CMK-3稳定性较相同条件下制备的Cu/AC有大幅提高,50 h内DMC的STY降低了20%,75 h内降低了28%。     

Nitrogen doped porous carbon as excellent dual anodes for Li- and Na-ion batteries

Biomass-derived carbon materials have obtained great attention due to their sustainability,easy availability,low cost and environmentally benign.In this work,bamboo leaves derived nitrogen doped hierarchically porous carbon have been efficiently synthesized via an annealing approach,followed by an etching process in HF solution.Electrochemical measurements demonstrate that the unique porous structure,together with the inherent high nitrogen content,endow the as-derived carbon with excellent lithium/sodium storage performance.The porous carbon annealed at 700℃presents outstanding rate capability and remarkable long-term stability as anodes for both lithium-ion batteries and sodium-ion batteries.The optimized carbon delivers a high discharge capacity of 450 mAh/g after 500 cycles at the current density of 0.2 A/g for LIBs,and a discharge capacity of 180 mAh/g after 300 cycles at the current density of 0.1 A/g for SIBs.     

ZIF-67 derived hollow Ni-Co-Se nano-polyhedrons for flexible hybrid supercapacitors with remarkable electrochemical performances

Nano-polyhedral NiSe₂/CoSe₂ (Ni-Co-Se) with hollow architectures are synthesized by selenizing the precursors of Ni-Co bimetallic hydroxides that are directly derived from ZIF-67. The as-fabricated Ni-Co-Se electrodes exhibit high specific capacitance of 1668 F/g at 1 A/g accompanying with outstanding rate capability (about 82.8% retention of the initial capacity at 20 A/g). The corresponding Ni-Co-Se//AC all-solid-state hybrid supercapacitors are assembled by directly using the Ni-Co-Se on carbon fabric as the positive electrode, which deliver high energy density and power density (38.5 Wh/kg at 802.1 W/kg, 32.0 Wh/kg at 8008.8 W/kg), excellent cyclic stability (82.3% retention after 5000 cycle) and robust mechanical flexibility (no obvious attenuation at bending to different angles). This work will provide a new and smart route for constructing transition metal selenides for supercapacitor devices.