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.     

Fluorescent polymer-modified gold nanobipyramids for temperature sensing during photothermal therapy in living cells

The temperature monitoring of treated cancer cells is critical in photothermal therapy. Current methods of detecting intracellular temperatures have low accuracy and poor spatial resolution, which limits their application to photothermal therapy. Herein, a strategy for targeted recognition and selective capture of MCF-7 breast cancer cells based on fluorescent polymer poly(N-isopropylacrylamide-benzoxadiazole-2-vinyl-4,4-dimethyl azlactone, PNMV) and modified gold nanobipyramids(Au NBPs-PNMV) wa...     

Strong π-π stacking interactions led to the mis-assignment of dimer emissions to the monomers of 1-acetylpyrene

Both experimental and computational studies showed owing to strong π-π stacking interactions, 1-acetylpyrene mainly exists in dimers and molecular aggregates even at low concentrations, which led to the mis-assignment of its monomer emission peaks.     

A Weighted Trudinger–Moser Inequality on R^N and Its Application to Grushin Operator

Let x=(x',x')with x'∈Rk and x'∈R^N-k andΩbe a x'-symmetric and bounded domain in R^N(N≥2).We show that if 0≤a≤k-2,then there exists a positive constant C>0 such that for all x'-symmetric function u∈C0^∞(Ω)with∫Ω|■u(x)|^N-a|x'|^-adx≤1,the following uniform inequality holds1/∫Ω|x|^-adx∫Ωe^βa|u|N-a/N-a-1|x'|^-adx≤C,whereβa=(N-a)(2πN/2Γ(k-a/2)Γ(k/2)/Γ(k/2)r(N-a/2))1/N-a-1.Furthermore,βa can not be replaced by any greater number.As the application,we obtain some weighted Trudinger–Moser inequalities for x-symmetric function on Grushin space.     

Synthesis of flower-like WS2 by chemical vapor deposition

Flower-like tungsten disulfide (WS₂) with a diameter of 5-10 μm is prepared by chemical vapor deposition (CVD). Scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), Raman spectroscopy, and ultraviolet-visible (UV-vis) spectroscopy are used to characterize its morphological and optical properties, and its growth mechanism is discussed. The key factors for the formation of flower-like WS₂ are determined. Firstly, the cooling process causes the generation of nucleation dislocations, and then the "leaf" growth of flower-like WS₂ is achieved by increasing the temperature.     

Progress and challenges of carbon-fueled solid oxide fuel cells anode

Carbon-fueled solid oxide fuel cells(CF-SOFCs)can electrochemically convert the chemical energy in carbon into electricity,which demonstrate both superior electrical efficiency and fuel utilisation compared to all other types of fuel cells.However,using solid carbon as the fuel of SOFCs also faces some challenges,the fluid mobility and reactive activity of carbon-based fuels are much lower than those of gaseous fuels.Therefore,the anode reaction kinetics plays a crucial role in determining the electrochemical performance of CF-SOFCs.Herein,the progress of various anodes in CF-SOFCs is reviewed from the perspective of material compositions,electrochemical performance and microstructures.Challenges faced in developing high performance anodes for CF-SOFCs are also discussed.     

Key progresses of MOE key laboratory of macromolecular synthesis and functionalization in 2020

In 2020, the MOE Key Laboratory of Macromolecular Synthesis and Functionalization in Zhejiang University had made progresses in several aspects. First, a series of metal-free organoboron catalysts had been designed and synthesized facilely, exhibiting outstanding reactivity, thermalstability and productivity in different kinds of polymerization and cycloaddition reactions. Second, a variety of chalcogen(O, S, Se)-rich polymers had been synthesized via organocatalysis and fabricated to be the ion...     

Dynamic analysis and regulation of the flexible pipe conveying fluid with a hard-magnetic soft segment

Applied Mathematics and Mechanics - The recently developed hard-magnetic soft (HMS) materials can play a significant role in the actuation and control of medical devices, soft robots, flexible...     

Thieno[3,4-c]pyrrole-4,6-dione based copolymers for high performance organic solar cells and organic field effect transistors

Donor-acceptor type copolymers have wide applications in organic field-effect transistors and organic photovoltaic devices. Thieno[3,4-c]pyrrole-4,6-dione (TPD), as an electron-withdrawing unit, has been widely used in D-A type copolymers recently. Till now, the highest power conversion efficiency and mobility of TPD-based copolymers are over 8% and 1.0 cm² V^-1 s^-1 respectively. In this review, the recent progress of TPD-based copolymers in organic solar cells and organic transistors is summarized.