Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH₂) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S₀ and S₁ states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH₂ can undergo the ESDPT process in the S₁ state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.     

Majorana fermions induced fast-and slow-light in a hybrid semiconducting nanowire/superconductor device

We investigate theoretically Rabi-like splitting and Fano resonance in absorption spectra of quantum dots(QDs)based on a hybrid QD-semiconducting nanowire/superconductor(SNW/SC)device mediated by Majorana fermions(MFs).Under the condition of pump on-resonance and off-resonance,the absorption spectrum experiences the conversion from Fano resonance to Rabi-like splitting in different parametric regimes.In addition,the Fano resonances are accompanied by the rapid normal phase dispersion,which will indicate the coherent optical propagation.The results indicate that the group velocity index is tunable with controlling the interaction between the QD and MFs,which can reach the conversion between the fast-and slow-light.Fano resonance will be another method to detect MFs and our research may indicate prospective applications in quantum information processing based on the hybrid QD-SNW/SC devices.     

Diffusion Model of a Non-Integer Order PIγ Controller with TCP/UDP Streams

In this article, a way to employ the diffusion approximation to model interplay between TCP and UDP flows is presented. In order to control traffic congestion, an environment of IP routers applying AQM (Active Queue Management) algorithms has been introduced. Furthermore, the impact of the fractional controller PIγ and its parameters on the transport protocols is investigated. The controller has been elaborated in accordance with the control theory. The TCP and UDP flows are transmitted simultaneously and are mutually independent. Only the TCP is controlled by the AQM algorithm. Our diffusion model allows a single TCP or UDP flow to start or end at any time, which distinguishes it from those previously described in the literature.     

阳离子交换皂石黏土在基质辅助激光解吸电离飞行时间质谱分析中的应用

将一种人工合成的无机聚合物——蒙脱石皂石黏土（smectite，Sm）应用于基质辅助激光解吸电离飞行时间质谱分析（matrix-assisted laser desorption/ionization time of flight mass spectrometry, MALDI-TOF-MS），以检测糖类化合物。 将传统的有机基质2，4，6-三羟基苯乙酮（trihydroxyacetophenone, THAP）与阳离子交换后的皂石黏土混合制备成新型复合基质，应用于糖类化合物的检测。通过比较不同的制样方法，测定不同分子直径的糖类化合物，发现由于受复合基质晶面间距的限制，只有小分子糖类化合物能进入晶面间隙充分接触有机基质并被离子化，从而实现对小分子糖类化合物的选择性检测。     

吸收波长和吸收效率可控的超材料吸收器

为了使超材料完美吸收器(metamaterial perfect absorber,MPA)能够同时实现吸收效率和吸收波长的控制,本文提出利用二氧化钒(VO2)和石墨烯作为MPA的材料,通过对MPA的结构设计,在红外波段实现了高吸收,吸收效率最高可达99%.研究发现通过改变VO2的温度和石墨烯的化学势,可同时实现MPA吸收效率和吸收波长的控制,吸收效率调制深度和吸收波长调谐范围分别可达97.08%和3.2μm.通过对MPA在吸收波长处的磁场分布分析可以得出,MPA能够产生高吸收是由于其形成了法布里-帕罗(Fabry-Pérot,FP)干涉腔共振,研究发现MPA的结构参数对FP腔的共振波长具有显著的影响.     

Cu/CuO-Graphene Foam with Laccase-like Activity for Identification of Phenolic Compounds and Detection of Epinephrine

Although great progress has been made in the advancement of nanozymes, most of the studies focus on mimicking peroxidase, oxidase, and catalase, while relatively few studies are used to mimic laccase. However, the use of nanomaterials to mimic laccase activity will have great potential in environmental and industrial catalysis. Herein, Cu/CuO-graphene foam with laccase-like activity was designed for the identification of phenolic compounds and the detection of epinephrine. In a typical experiment, the formation mechanism of Cu/CuO-graphene foam was investigated during the pyrolysis process by thermogravimetric-mass spectrometry. As a laccase mimic, Cu/CuO-graphene foam exhibited excellent catalytic activity with a Michaelis-Menten constant and a maximum initial velocity of 0.17 mmol/L and 0.012 mmol∙L^-1∙s^-1, respectively. Based on this principle, Cu/CuO-graphene foam nanozyme could differentially catalyze phenolic compounds and 4-aminoantipyrine for simultaneous identification of phenolic compounds. Furthermore, a colorimetric sensing platform was fabricated for the quantitative determination of epinephrine, showing linear responses to epinephrine in the range of 3 mg/mL to 20 mg/mL with the detection limit of 0.2 mg/mL. The proposed Cu/CuO-graphene foam nanozyme could be applied for the identification of phenolic compounds and the detection of epinephrine, showing great potential applications for environmental monitoring, biomedical sensing, and food detection fields.     

射频等离子制备石墨烯负载Co3O4催化剂及其析氧性能研究

氢能的引入能有效提升配电网的供电可靠性,而电解水制氢是实现低碳转型的关键技术,开发高效的电解水催化剂势在必行。过渡金属氧化物储量大、催化活性高,是具有广阔应用前景的析氧反应催化剂。本文通过射频等离子体处理制备石墨烯上负载Co₃O₄析氧催化剂,XRD、Raman和XPS测试结果显示,二维结构石墨烯的引入加速表面电子迁移,增大了反应面积。等离子体处理促进了纳米粒子在石墨烯上的负载,利用等离子体刻蚀作用在催化剂表面制造出大量碳结构缺陷和氧空位结构,改善了活性位点分布,有效调控Co₃O₄电子结构,提高析氧催化活性。电化学测试表明,本文中合成的Co₃O₄@rGO在电流密度为50 mA·cm^-2时的过电位为410 mV,动力学反应速率较快,表现出优于商业IrO₂的析氧催化活性。     

Recent advances in the boration and cyanation functionalization of alkenes and alkynes

Alkenyl boron-esters and acrylonitrile groups are key structural functional groups found in dyes, pesticides, fluorescent compounds, functional materials, and biologically active drugs. Considerable efforts have been devoted for the introduction of boron-esters and acrylonitrile groups by using alkenes and alkynes conversion routes for boronation, hydroboronation, dehydrogenative boronation, cyanation, hydrocyanation, alkylcyanation, cyanomethylation. These reported methodologies are very valuable for the industrial production of acrylonitriles and alkenyl boron esters.     

水热法制备二氧化锡/钨酸铋复合光催化材料及其催化活性研究

本文用水热法制备了正交晶系的纳米球状结构的二氧化锡和正交晶系的由片状聚集成球状结构的钨酸铋,并且对二者进行了复合,制备出了二氧化锡/钨酸铋复合光催化材料。采用X射线衍射(XRD)、扫描电子显微镜(SEM)、比表面积测试仪(BET)、紫外可见分光光度计等技术对复合样品的结构、形貌、比表面积、孔容孔径和光学性质进行了表征。用碘钨灯模拟太阳光,分别以二氧化锡、钨酸铋和二氧化锡/钨酸铋复合材料为催化剂降解罗丹明B(RhB),研究所制备的二氧化锡/钨酸铋复合材料的光催化活性。光催化90 min时二氧化锡、钨酸铋和二氧化锡/钨酸铋对罗丹明B的降解率分别是9%、22%和30%。实验结果表明,在可见光下,二氧化锡/钨酸铋复合材料的光催化活性要高于单一的二氧化锡和钨酸铋。