Rapid qualitative profiling and quantitative analysis of Juglandis Mandshuricae Cortex and seven flavonoids by ultra-high performance liquid chromatography–quadrupole/orbitrap high-resolution mass spectrometry

Juglandis Mandshuricae Cortex is the bark of Juglans mandshurica Maxim., which has been used as a folk medicine plant in China and India. In this study, an ultra-high performance liquid chromatography–quadrupole/orbitrap high-resolution mass spectrometry method was developed to clarify and quantify the chemical profiling of Juglandis Mandshuricae Cortex rapidly. A total of 113 compounds were characterized. Among them, seven flavonoids were simultaneously quantified in 15 min, including myricetin, myricetrin, taxifolin, kaempferol, quercetin, quercitrin, and naringenin. The method was validated for accuracy, precision, and the limits of detection and quantification. All calibration curves showed a good linear relationship (r > 0.9990) within test ranges. The intra- and inter-day relative standard deviations were less than 2.16%. Accuracy validation showed that the recovery was between 95.6 and 101.3% with relative standard deviation values below 2.85%. The validated method was successfully applied to determine the contents of seven flavones in Juglandis Mandshuricae Cortex from seven sources and the contents of these places were calculated respectively. This method provides a theoretical basis for further developing the medicinal value of Juglandis Mandshuricae Cortex.     

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.     

Enhanced thermoelectric performance of PEDOT:PSS films via ionic liquid post-treatment

Thermoelectric(TE)energy harvesting can effectively convert waste heat into electricity,which is a crucial technology to solve energy concerns.As a promising candidate for energy conversion,poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate)(PEDOT:PSS)has gained significant attention owing to its easy doping,high transparency,and solution processability.However,the TE performance of PEDOT:PSS still needs to be further enhanced.Herein,different approaches have been applied for tuning the TE properties:(i)direct dipping PEDOT:PSS thin films in ionic liquid;(ii)post-treatment of the films with concentrated sulfuric acid(H₂SO₄),and then dipping in ionic liquid.Besides,the same bis(trifluoromethanesulfonyl)amide(TFSI)anion and different cation salts,including 1-ethyl-3-methylimidazolium(EMIM+)and lithium(Li+),are selected to study the influence of varying cation types on the TE properties of PEDOT:PSS.The Seebeck coefficient and electrical conductivity of the PEDOT:PSS film treated with H2SO4EMIM:TFSI increase simultaneously,and the resulting maximum power factor is 46.7μW·m^-1·K^-2,which may be attributed to the ionic liquid facilitating the rearrangement of the molecular chain of PEDOT.The work provides a reference for the development of organic films with high TE properties.     

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。     

Dynamic Modeling of the Feed Drive System of a CNC Metal Cutting Machine

Studying the vibrational behavior of feed drive systems is important for enhancing the structural performance of computer numerical control (CNC) machines. The preload on the screw and nut position have a great influence on the vibration characteristics of the feed drive as two very important operational conditions. Rotational acceleration of the screw also affects the performance of the CNC feed drive when machining small parts. This paper investigates the influence of preload and nut position on the vibration characteristics of the feed drive system of a CNC metal cutting machine in order to be able to eliminate an observed resonance occurred at high rotational speeds of the screw, corresponding to high feed rates. Additionally, rational structural parameters of the feed drive system are selected in order to increase the rotational acceleration for improving the performance of the CNC machine. Experiments and analyses showed that by selecting specific parameters of feed drive system and simultaneously applying a certain value of preload, a 97% increase in rotational acceleration and 30% time reduction considering the vibration resistance at high rotational speeds can be achieved.     

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.     

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.