A study of allosteric binding behaviour of a 1,3-alternate thiacalix[4]arene-based receptor using fluorescence signal

A novel heteroditopic thiacalix[4]arene receptor L possessing 1,3-alternate conformation, which contains two pyrene moieties attached to the lower rim via urea linkages together with a crown ether moiety appended at the opposite side of the thiacalix[4]arene cavity, has been synthesized. The complexation behaviour of receptor L was studied by means of fluorescence spectra and ¹H NMR titration experiments in the presence of K⁺ ions and a variety of other anions. The results suggested that receptor L can complex efficiently via the urea cavity or the crown ether moiety, and a positive/negative allosteric effect operating in receptor L was observed

How Does Folding Modulate Thermal Conductivity of Graphene

We study thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method. It is found that the thermal conductivity of flat graphene nanoribbons can be modulated by folding and changing interlayer couplings. The analysis of transmission reveals that the reduction of thermal conductivity is due to scattering of low frequency phonons by the folds. Our results suggest that folding can be utilized in the modulation of thermal transport properties in graphene and other two dimensional materials.Comment: published in Applied Physics Letters 201

Learning Spatial-Semantic Context with Fully Convolutional Recurrent Network for Online Handwritten Chinese Text Recognition

Online handwritten Chinese text recognition (OHCTR) is a challenging problem as it involves a large-scale character set, ambiguous segmentation, and variable-length input sequences. In this paper, we exploit the outstanding capability of path signature to translate online pen-tip trajectories into informative signature feature maps using a sliding window-based method, successfully capturing the analytic and geometric properties of pen strokes with strong local invariance and robustness. A multi-spatial-context fully convolutional recurrent network (MCFCRN) is proposed to exploit the multiple spatial contexts from the signature feature maps and generate a prediction sequence while completely avoiding the difficult segmentation problem. Furthermore, an implicit language model is developed to make predictions based on semantic context within a predicting feature sequence, providing a new perspective for incorporating lexicon constraints and prior knowledge about a certain language in the recognition procedure. Experiments on two standard benchmarks, Dataset-CASIA and Dataset-ICDAR, yielded outstanding results, with correct rates of 97.10% and 97.15%, respectively, which are significantly better than the best result reported thus far in the literature.Comment: 14 pages, 9 figure

Synthesis and inclusion behavior of a heterotritopic receptor based on hexahomotrioxacalix[3]arene

A heterotritopic hexahomotrioxacalix[3]arene receptor with the capability of binding two alkali metals and a transition metal in a cooperative fashion was synthesized. The binding model was investigated by using ¹H NMR titration experiments in CDCl₃–CD₃CN (10:1, v/v), and the results revealed that the transition metal was bound at the upper rim and the alkali metals at the lower and upper rims. Interestingly, the alkali metal ions Li⁺ and Na⁺ bind at the lower and upper rim respectively depending on the dimensions of the alkali metal ions versus the size of the cavities formed by the calix[3]arene derivative. The hexahomotrioxacalix[3]arene receptor acts as a heterotritopic receptor, binding with the transition metal ion Ag⁺ and the alkali metals ions Li⁺ and Na⁺. These findings were not applicable to other different sized alkali metals, such as K⁺ and Cs⁺

Synthesis of a ditopic homooxacalix[3]arene for fluorescence enhanced detection of heavy and transition metal ions

A pyrene-appended ratiometric fluorescent chemosensor L based on a synthetic approach of insulating the fluorophore from the ionophore by a specific molecular spacer has been synthesised and characterised. The fluorescence spectra changes of L suggested that the chemosensor can detect heavy and transition metal (HTM) ions ratiometrically and with variable sensitivity according to the substituents present. ¹H NMR titration experiments indicated that the three triazole ligands prefer binding with Hg²⁺, Pb²⁺ and Zn²⁺, resulting in a conformational change that produces monomer emission of the pyrene accompanied by the excimer quenching. However, the addition of Fe³⁺, which may be accommodated by the cavity of L, makes the pyrene units move closer to each other, and a discernible increase in the emission intensity of the static excimer is observed. Therefore, it is believed that the ditopic scaffold of the calix[3]arene as a specific molecular spacer here plays an important role in the blocking of the heavy atom effect of HTM ions by insulating the fluorophore from the ionophore given the long distance between the metal cation and the pyrene moiety

On the step-type contrast structure of a second-order semilinear differential equation with integral boundary conditions

In this paper we investigate the step-type contrast structure of a second-order semilinear differential equation with integral boundary conditions. The asymptotic solution is constructed by the boundary function method, and the uniform validity of the formal solution is proved by the theory of differential equalities