Homodiselenacalix[4]arenes: Molecules with Unique Channelled Crystal Structures

A synthetic route towards homodiselenacalix[4]arene macrocycles is presented, based on the dynamic covalent chemistry of diselenides. The calixarene inner rim is decorated with either alkoxy or tert‐butyl ester groups. Single‐crystal X‐ray analysis of two THF solvates with methoxy and ethoxy substituents reveals the high similarity of their molecular structures and alterations on the supramolecular level. In both crystal structures, solvent channels are present and differ in both shape and capacity. Furthermore, the methoxy‐substituted macrocycle undergoes a single‐crystal‐to‐single‐crystal transformation during which the molecular structure changes its conformation from 1,3‐alternate (loaded with THF/water) to 1,2‐alternate (apohost form). Molecular modelling techniques were applied to explore the conformational and energetic behaviour of the macrocycles.     

Shock wave research for engineering physics

Abstract

In this paper, several recent activities on shock wave research for engineering physics performed in China will be presented as the supplement of author's previous report of Ref. 1.     

Electrospinning of Hyperbranched Poly-L-Lysine/Polyaniline Nanofibers for Application in Cardiac Tissue Engineering

Electrospun polyaniline nanofibers are one of the most promising materials for cardiac tissue engineering due to their tunable electroactive properties. Moreover, the biocompatibility of polyaniline nanofibes can be improved by grafting of adhesive peptides during the synthesis. In this paper, we describe the biocompatible properties and cardiomyocytes proliferation on polyaniline electrospun nanofibers modified by hyperbranched poly-L-lysine dendrimers (HPLys). The microstructure characterization of the HPLys/polyaniline nanofibers was carried out by scanning electron microscopy (SEM). It was observed that the application of electrical current stimulates the differentiation of cardiac cells cultured on the nanofiber scaffolds. Both electroactivity and biocompatibility of the HPLys based nanofibers suggest the use this material for culture of cardiac cells and opens the possibility of using this material as a biocompatible electroactive 3-D matrix in cardiac tissue engineering.     

State of the art and research development prospects of energy and resource-efficient environmentally safe chemical process systems engineering

In this focus overview, the main types and directions of engineering, methods and techniques of intensification of chemical process systems (CPS) and process optimization of energy- and resource-efficient processes for the representative production of titanium compounds, mining waste processing systems, electrochemical coating technologies, combined technologies for the treatment of industrial effluents and energy-and resource-efficient technologies for cleaning soils from petroleum and chemical pollution products are reviewed. The following issues have been discussed: methods of complex assessment of production energy efficiency and software and information support for automated synthesis of optimal energy-efficient regenerative heat exchange systems using pinch analysis; methods and algorithms for fractal-statistical characteristics analysis of nonstationary gas flows in complex gas pipelines; methods of ecological and economic optimization of production, infrastructure supply chains; methods for assessing and preventing the dangerous environmental impact assessment of chemical pollution; organization and logistics management of business processes engineering for improving the energy efficiency of plants; engineering of problem oriented computer systems, heuristic-computational models and algorithms for intelligent integrated logistics support of the equipment life cycle; engineering developments in the field of digital transformation of energy-efficient CPS and technological production systems; application of methods for optimizing reliability factors optimization, digitalized risk and safety management in the engineering of energy- and resource efficient CPS.     

Asymmetric double-layer composite electrolyte with enhanced ionic conductivity and interface stability for all-solid-state lithium metal batteries

All-solid-state Li metal battery has been regarded as a promising battery technology due to its high energy density based on the high capacity of lithium metal anode and high safety based on the all solid state electrolyte without inflammable solvent.However,challenges still exist mainly in the poor contact and unstable interface between electrolyte and electrodes.Herein,we demonstrate an asymmetric design of the composite polymer electrolyte with two different layers to overcome the interface issues at both the cathode and the anode side simultaneously.At the cathode side,the polypropylene carbonate layer has enough viscosity and flexibility to reduce the inter-facial resistance,while at the Li anode side,the polyethylene oxide layer modified with hexagonal boron nitride has high mechanical strength to suppress the Li dendrite growth.Owing to the synergetic effect between different components,the asprepared double layer composite polymer electrolyte demonstrates a large electrochemical window of5.17 V,a high ionic conductivity of 6.1×10~(-4) S/cm,and a transfe rence number of 0.56,featuring excellent ion transport kinetics and good chemical stability.All-solid-state Li metal battery assembled with LiFePO_4 cathode and Li anode delivers a high capacity of 150.9 mAh/g at 25℃ and 0.1 C-rate,showing great potential for practical applications.     

One barbiturate and two solvated thiobarbiturates containing the triply hydrogen‐bonded ADA/DAD synthon,plus one ansolvate and three solvates of their coformer 2,4‐diaminopyrimidine

A path to new synthons for application in crystal engineering is the replacement of a strong hydrogen‐bond acceptor, like a C=O group, with a weaker acceptor, like a C=S group, in doubly or triply hydrogen‐bonded synthons. For instance, if the C=O group at the 2‐position of barbituric acid is changed into a C=S group, 2‐thiobarbituric acid is obtained. Each of the compounds comprises two ADA hydrogen‐bonding sites (D = donor and A = acceptor). We report the results of cocrystallization experiments of barbituric acid and 2‐thiobarbituric acid, respectively, with 2,4‐diaminopyrimidine, which contains a complementary DAD hydrogen‐bonding site and is therefore capable of forming an ADA/DAD synthon with barbituric acid and 2‐thiobarbituric acid. In addition, pure 2,4‐diaminopyrimidine was crystallized in order to study its preferred hydrogen‐bonding motifs. The experiments yielded one ansolvate of 2,4‐diaminopyrimidine (pyrimidine‐2,4‐diamine, DAPY), C₄H₆N₄, (I), three solvates of DAPY, namely 2,4‐diaminopyrimidine–1,4‐dioxane (2/1), 2C₄H₆N₄·C₄H₈O₂, (II), 2,4‐diaminopyrimidine–N,N‐dimethylacetamide (1/1), C₄H₆N₄·C₄H₉NO, (III), and 2,4‐diaminopyrimidine–1‐methylpyrrolidin‐2‐one (1/1), C₄H₆N₄·C₅H₉NO, (IV), one salt of barbituric acid, viz. 2,4‐diaminopyrimidinium barbiturate (barbiturate is 2,4,6‐trioxopyrimidin‐5‐ide), C₄H₇N₄⁺·C₄H₃N₂O₃⁻, (V), and two solvated salts of 2‐thiobarbituric acid, viz. 2,4‐diaminopyrimidinium 2‐thiobarbiturate–N,N‐dimethylformamide (1/2) (2‐thiobarbiturate is 4,6‐dioxo‐2‐sulfanylidenepyrimidin‐5‐ide), C₄H₇N₄⁺·C₄H₃N₂O₂S⁻·2C₃H₇NO, (VI), and 2,4‐diaminopyrimidinium 2‐thiobarbiturate–N,N‐dimethylacetamide (1/2), C₄H₇N₄⁺·C₄H₃N₂O₂S⁻·2C₄H₉NO, (VII). The ADA/DAD synthon was succesfully formed in the salt of barbituric acid, i.e. (V), as well as in the salts of 2‐thiobarbituric acid, i.e. (VI) and (VII). In the crystal structures of 2,4‐diaminopyrimidine, i.e. (I)–(IV), R₂²(8) N—H…N hydrogen‐bond motifs are preferred and, in two structures, additional R₃²(8) patterns were observed.