STRUCTURE PREDICTION, ENUMERATION AND WHOLESALE MOLECULAR ORBITAL CALCULATION OF POLYCYCLIC AROMATIC HYDROCARBONS

Based upon our previous works, a systematic mathematical demonstration of polycyclic aromatic hydrocarbons (PAH) graphs has been carried out in this laboratory. The uniqueness of characteristic number (linear topology notation of PAH), the even number theorem for the discriminating of complete aromaticity for PAH in structure prediction and enumeration, the transformation theorem from the characteristic number to form the adjacency matrix uniquely, the diserote mathematics strategy for the programming of the automatic MO calculation to a whole class of compounds as well as the other aspects have been demonstrated in this paper. In terms of these research, the wholesale molecular orbital calculation (WMO) and the linear notation containing all the topologic information of PAH molecule have been put forward for the first time, so the first example for the structure prediction and enumeration of PAH having truly chemical significance as well as automatic, systematic MO calculation of whole compound class h     

Synthesis and Characterization of 3-Phenyl-adamantane-1-carboxylic Acid

Adamantane and its derivatives have been introduced into many drugs for current clinical research and some of them are used tor tlie treatment of neurological disease and/or used as the antiviral agents as well as the agents against type-2 diabetes.Recently,there have been many relevant research reported for developing medicinal chemistry by employing the adamantyl group.In this paper,a new adamantane-based compound (3-phenyl-adamantane-1-carboxylic acid,PACA) was synthesized and characterized by X-ray diffraction(XRD), themiogravimeric analysis(TGA),Fourier transtomi infrared spectroscopy(FTIR),etc.,which should be a beneficial complement or extension to the existing adamantyl-based materials.     

Pillararene-based fluorescent sensors for the tracking of organic compounds

Fluorescent chemosensors based on pillararene complexes represent a new, promising branch in sensor technology. Because of CH-π interactions, aliphatic chains are well suited for the columnar cavities of pillararenes and bulky or sheet-like(sub)structures can be arranged on the portals. Thus, pillararenes form versatile receptors and an alteration of the fluorescence behavior upon complexation ensures the function of these chemosensors as the reporter. Although this field of research exists only since a few years, remarkable chemosensors were developed for substances as diverse as medical drugs,biochemicals, herbicides and explosives.     

Promise and challenge of vanadium-based cathodes for aqueous zinc-ion batteries

Aqueous zinc-ion batteries(ZIBs)have got wide attention with the increasing demands for energy resource recently.It has a number of merits compared with lithium-ion batteries,such as enhanced safety,low cost and environmental friendliness.Vanadium-based materials have been developed to serve as the cathodes of ZIBs for many years.But there are also some challenges to construct high performance ZIBs in the future.Herein,we reviewed the research progress of vanadium-based cathodes and discussed the energy storage mechanisms in ZIBs.In addition,we summarized the major challenges faced by vanadium-based cathodes and the corresponding ways to improve electrochemical performance of ZIBs.Finally,some excellent vanadium-based cathodes are summarized to pave the way for future research in ZIBs.     

SEPARATION AND DETERMINATION OF FIFTEEN RARE-EARTH ELEMENTS IN ROCKS

This article is engaged in the research of extractive chromatographic method for the sep-aration of 15 rare-earth elements with P_507 (iso-oetel iscetyl phosphate) as stationary phase,silanization porous microbeads silica gel as support, and hydrochoric acid-sodium chloride asmobile phase. The sodium chloride in eluant has accelerated the speed of rare-earth separa-tion. The base line separation can be achieved for all the 15 rare-earth elements. The authorshave proposed a simple and rapid method of determination of the 15 microrare-earth ele-ments in rocks using extractive chronmtographic enriched separation and ICP spectrometrydetermination, and accurate results for rare-earth elements have been obtained.     

The lipase monolayer film self-assembly on the negatively charged poly(ethylene terephthalate) substrate

The artificial assembly of enzymes is of considerable interest in basic research fordevelopment of enzyme engineering as well as for technological applications.Since 1991, the molecular deposition developed by Decher and others has been aversatile method for the protein and enZyme molecules self.assembly as a noveltechnique of immobilized enZyme. The glucose isomerase and the bienZymes of glucoseoxidase and glucoamylase were assembled using molecular deposition on the surface ofthe canonized …     

Pursuing a Higher Goal in the Year of the Horse

On behalf of the editorial board members,we would like to thank the people from all over the world,who gave us efficient support for the development of the Chinese Journal of Chemistry (CJC) as authors,referees,Guest Editors and readers,and hope that CJC meets with the demand of authors and readers by providing a smooth platform for chemists to communicate their latest scientific research.     

Highly active double metal cyanide complexes： Effect of central metal and ligand on reaction of epoxide/CO2

Various novel double metal cyanide (DMC) catalysts were successfully prepared by modifying the central metal (M) and one of cyanide ion (CN-) in Zna[M(CN)b]c complex. Such modifications have significant impact on the catalytic efficiency as well as the polymer selectivity for the reaction of PO/CO2. Zn–Ni(Ⅱ) DMC is a potential catalyst for alternating copolymerization of PO/CO2, and DMC catalysts based on Zn3[Co(CN)5X]2 (X = Br-and N3-) exhibit moderate efficiency for the production of polycarbonates. This research presents the preliminary exploration of novel DMC complex via chemical modification of its central metal and ligand.     

Plasmonic biosensing based on non-noble-metal materials

This review focuses on the research progress of non-noble-metal materials with nanostructures for plasmonic biosensing. Firstly, the physical and sensing principles of localized surface plasmon resonance (LSPR) sensors are briefly introduced; then non-noble-metal materials, such as copper, aluminum, semiconductor, graphene and other materials, for plasmonic sensing are categorized and presented. Finally, a rational discussion about the future prospective of novel materials for plasmonic sensing is given.     

Manipulation and Separation of Particles of Metal Oxides by Dielectrophoresis

<正>With the development of nanotechnology,the separation and manipulation of micro-nano-particles have become a research focus in the field of nano-materials.Dielectrophoresis(DEP) is a non-contact technology for the separation and manipulation of micro-nano-particles.Here is reported the design and fabrication of a DEP based microchip with microelectrode arrays for capturing micro-particles of inorganic oxides in petroleum.The DEP behavior of micro-particles of inorganic oxides in oil media was explored via this microchip.The microchip shows relatively a good DEP response to inorganic oxides in oil media.Furthermore,much more factors were explored such as frequency (Hz),and particle size(μm),as well as metal valence.As a conclusion,the best frequency is 50 Hz.It is expected to capture particles with different sizes or separate different oxide particles by regulating DEP conditions. Thus,a new method could be established for the separation and purification particles of different oxides,as well as the separation and manipulation of an oxide with different particle sizes.     

Interfacial Degradation and Optimization of Li-rich Cathode Materials

High-energy and safe lithium ion batteries(LIBs)are in increasing need as the rapid development of electronic devices,electric vehicles,as well as energy storage station.Li-rich oxides have attracted a lot of attention due to their high capacity and low cost as cathode material for LIBs.However,they still suffer from the vulnerable cathode/electrolyte interface,which presents the huge challenges of surface degradation and gas release,particularly at high state of charge.Some issues of Li-rich cathode materials,such as moderate cycle stability and voltage decay,are in tight connection with electrode-electrolyte interfacial side reactions.Research in the area of interfacial degradation mechanism and optimization strategies is of great significance as for Li-rich cathode,and extensive efforts have been poured.This review aims to understand the degradation mechanism of Li-rich cathode materials,and summarize the corresponding valuable and effective optimization strategies.Based on these considerations,we also have discussed the remaining challenges and the future research direction.     

Research Progress of Carbon-Encapsulated Iron-Based Nanoparticles Electrocatalysts for Zinc-Air Batteries北大核心CSCD

Zinc-air batteries (ZABs) are regarded as one of the most promising candidates for a new generation of advanced energy conversion and storage devices,while the inferior activity and stability of air cathode electrocatalysts largely hinder the widespread application of ZABs. The extensive efforts for exploring and designing high active yet stable air cathode catalysts is,therefore,indispensable for the improvement of ZABs performance. Recently,carbon-encapsulated iron-based nanoparticles have been reported to exhibit excellent oxygen catalytic performance on account of their resistance to corrosion,oxidation,and aggregation under harsh conditions,and have been widely used as cathode materials for ZABs. As a result,we systematically summarize the applications of carbon-encapsulated transition metal iron-based materials as cathode catalysts for ZABs. In this review,the basic principle of ZABs and challenges faced by air cathode catalysts are firstly expounded. Then, the research progress of the carbon-encapsulated iron-based nanoparticles electrocatalysts (such as iron-based and its alloy,carbide,oxide and phosphide,et al.) are emphatically discussed and analyzed. Finally,the future development perspectives of carbon-encapsulated iron-based electrocatalysts in the applications of ZABs are put forward. © 2022, Science Press (China). All rights reserved.     

Red carbon dots as label-free two-photon fluorescent nanoprobes for imaging of formaldehyde in living cells and zebrafishes

Direct,in situ selective detection of intracellular formaldehyde(FA)is of great significance for understanding its function in FA-related diseases.Herein,red carbon dots(RCD)are reported as label-free two-photon fluorescent nanoprobes for detecting and imaging of FA.Upon addition of FA,the-NH2 groups of RCD could quickly and specially react with aldehydes to form Schiff base and then the strong fluorescence of RCD with blue-shift emission is recovery due to the destruction of the hydrogen bond interaction between RCD and water.In addition,the nanoprobes exhibit outsta nding photo stability,rapid response(<1 min),high sensitivity(~9.9μmol/L)and excellent selectivity toward FA over other aldehyde group compounds.Notably,owing to the good cell-membrane permeability and biocompatibility,as well as the large two-photon absorption cross-section,the as-prepared RCD can be used as label-free nanoprobes for selectively detecting and imaging FA in living cells and zebrafishes through one-photon and two-photon excitation.Moreover,RCD could stain the tissue of zebrafishes at depths interval of up to 240μm under two-photon excitation.This research implied that RCD are promising tools for directly and in situ imaging FA in vivo,thus providing critical insights into FA-related pathophysiological processes.     

Enantioselective Reduction of Achiral Ketones with NaBH_4/I_2 Catalyzed by (S)-Ferrocenyl Amino Alcohols

In recent years much attention has been devoted to the enantioselective synthesis of optically active alcohols which are important starting materials for many biologically active compounds1. Since Corey and co-workers found the chiral oxazaborolidine catalyzed reduction (CBS reduction) of prochiral ketones, the method for the generation of chiral secondary alcohols has become one of the most attractive research fields2, 3. But borane and its complexes such as borane-THF or borane-dimethyl …     

Synthesis and properties of ionic conduction polymer for anodic bonding

In this study,powders of polyethylene oxide(PEO) and lithium perchlorate(Li Cl O4) were used as the raw materials for producing the ionic conduction polymer PEO–Li Cl O4 with different complex-ratios and used for anodic bonding through high energy ball milling method,and meanwhile,X-ray diffraction,differential scanning calorimetry(DSC),ultraviolet absorption spectrum test analysis,and other relevant methods were adopted to research the complexation mechanism of PEO and Li Cl O4 and the impact of the ionic conduction polymer with different complex-ratios on the anodic bonding process under the action of the strong static electric field.The research results showed that the crystallization of PEO could be effectively obstructed with increased addition of Li Cl O4,thus increasing the content of PEO–Li Cl O4 in amorphous area and continuously improving the complexation degree and the room-temperature conductivity thereof,and that the higher room-temperature conductivity enabled PEO–Li Cl O4 to better bond with metallic aluminum and have better bonding quality.As the new encapsulating material,such research results will promote the application of new polymer functional materials in micro-electromechanical system(MEMS) components.     

Designed fabrication of mesoporous silica-templated self-assembled theranostic nanomedicines

Theranostic nanosystems that integrate diagnosis and therapy have garnered increasing attention for personalized medicine.The integration of the versatile nanoparticles to fabricate self-assembled theranostic nanomedicines becomes increasingly important in current medical research.Mesoporous silica nanoparticles(MSN)with their highly attractive physicochemical properties and favorable morphological attributes represent ideal templates for the controlled assembly and integration of functional nanomaterials to fabricate self-assembled theranostic nanomedicines.The rationally designed combination strategy and heterostructure will improve the overall bioavailability and preserve the unique property of each nanocomponent.In this review,the cutting-edge strategies for the designed fabrication of MSN-templated self-assembled nanomedicines are summarized.We categorize MSN-based nanomedicines by their unique heterostructures,including core-shell,yolk-shell,core-satellite,heterodimer and core-shell-satellite structures,and discuss the controlled assembly approaches as well as the intriguing applications for disease theranostics.Finally,a perspective on the challenges in the clinical translation of self-assembled theranostic nanomedicines is highlighted.     

A review on anode materials for lithium/sodium-ion batteries

Since lithium-ion batteries(LIBs) have been substantially researched in recent years, they now possess exceptional energy and power densities, making them the most suited energy storage technology for use in developed and developing industries like stationary storage and electric cars, etc. Concerns about the cost and availability of lithium have prompted research into alternatives, such as sodium-ion batteries(SIBs), which use sodium instead of lithium as the charge carrier. This is especially ...     

SYNTHESIS OF STYRENIC TONER PARTICLES BY SPG EMULSIFICATION TECHNIQUE

This research studied the initiator efficiency for producing polymeric particles of poly(styrene-co-methylmethacrylate) copolymers by a Shirasu porous glass membrane (SPG) emulsification technique followed by suspensioncopolymerization. BPO, ADVN, and AIBN were used as initiators and we found that BPO is the most suitable initiator.Copolymers for various feed ratios of styrene/methyl methacrylate were thus synthesized by benzoyl peroxide, and theircopolymer particle size, molecular weight distribution and particle size distribution were characterized. Then n-BMA or 2-EHMA was added as the third monomer to decrease the terpolymer glass transition temperature. This article describes thepreparation technique, recipes and polymerization conditions for producing both copolymer and terpolymer panicles, particlesize changes, the corresponding particle morphologies and glass transition temperatures.     

One-Pot Synthesis of N-Boc-2, 5-bis(trimethylsilyl)pyrrolidine

Since Daly reported the structure of epibatidine and its potent analgesic activity in 19921, study on the synthesis of epibatidine and its derivatives and relationships between the structure and activity of epibatidine has received much attention2. During the course of our research for the synthesis of epibatidine derivatives, N-boc-2, 5-bis(trimethylsilyl)pyrrolidine 4 was used as the key intermediate to construct the skeleton of epibatidine via the 1, 3-dipolar cycloaddition (Scheme 1). Ac…