Study on the pharmacological activities and chemical structures of Viburnum dilatatum

Viburnum dilatatum(jiami in Chinese),belonging to the Caprifollaceae family,is widely distributed in Japan and China.Phytochemical investigations of Viburnum dilatatum(V.dilatatum)have resulted in the isolation of triterpenoids,phenolic glycosides essential oil,norisoprenoids,etc.Research results have shown that the chemical constituents of V.dilatatum possess various pharmacological activities,including antihyperglycemic,antioxidant activity and antiulcer effects.This study reviewed the chemical constituents and pharmacological activities of V.dilatatum to provide practical and useful information for further research and development of this plant.

Facial amphiphilicity index correlating chemical structures with antimicrobial efficacy

Facial amphiphilicity is an extraordinary chemical structure feature of a variety of antimicrobial peptides and polymers.Vast efforts have been dedicated to small molecular,macromolecular and dendrimer-like systems to mimic this highly preferred structure or conformation,including local facial amphiphilicity and global amphiphilicity.This work conceptualizes Facial Amphiphilicity Index(FAI)as a numerical value to quantitatively characterize the measure of chemical compositions and structural features in dictating antimicrobial efficacy.FAI is a ratio of numbers of charges to rings,representing both compositions of hydrophilicity and hydrophobicity.Cationic derivatives of multicyclic compounds were evaluated as model systems for testing antimicrobial selectivity against Gram-negative and Gram-positive bacteria.Both monocyclic and bicyclic compounds are non-antimicrobial regardless of FAIs.Antimicrobial efficacy was observed with systems having larger cross-sectional areas including tricyclic abietic acid and tetracyclic bile acid.While low and high FAIs respectively lead to higher and lower antimicrobial efficacy,in consideration of cytotoxicity,the sweet spot is typically suited with intermediate FAIs for each specific system.This can be well explained by the synergistic hydrophobic-hydrophobic and electrostatic interactions with bacterial cell membranes and the difference between bacterial and mammalian cell membranes.The adoption of FAI would pave a new avenue toward the design of next-generation antimicrobial macromolecules and peptides.

Effect of demineralization on pyrolysis characteristics of LPS coal based on its chemical structure

The critical issue in developing mature Oxy-Coal Combustion Steam System technology could be the reactivity of deminer-alized coal which,is closely related to its chemical structure.The chemical structures of Liupanshui raw coal(LPS-R)and Liupanshui demineralized coal(LPS-D)were analyzed by FTIR and solid-state 13C-NMR.The pyrolysis experiments were carried out by TG,and the pyrolysis kinetics was analyzed by three iso-conversional methods.FTIR and 13C-NMR results suggested that the carbon structure of LPS coal was not altered greatly,while demineralization promoted the maturity of coal and the condensation degree of the aromatic ring,making the chemical structure of coal more stable.The oxygen-containing functional groups with low bond energy were reduced,and the ratio of aromatic carbon with high bond energy was increased,decreasing the pyrolysis reactivity.DTG curve-fitting results revealed that the thermal weight loss of LPS coal mainly came from the cleavage of aliphatic covalent bonds.By pyrolysis kinetics analysis of LPS-R and LPS-D,the apparent activation energies were 76±4 to 463±5 kJ/mol and 84±2 to 758±12 kJ/mol,respectively,under different conversion rates.The reactivity of the demineralized coal was inhibited to some extent,as the apparent activation energy of pyrolysis for LPS-D increased by acid treatment.

Chemical interaction motivated structure design of layered metal carbonate hydroxide/MXene composites for fast and durable lithium ion storage

Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.

Spectroscopic Elucidation of the Links between Char Morphology and Chemical Structure of Coals of Different Ranks

In this investigation, SAXS and XRD were used to investigate both the physical and chemical changes in six coals of different ranks subjected to heat treatment. The specific surface area which gives an indication of the reactivity of the coal (measures surface area available for reaction) was determined to be in the range of 70.04 - 260.40 m2/cm3 particle volume for lignite from 450°C - 700°C. The specific surface area was determined to be in the range of 51.58 - 239.00 m2/cm3 particle volume for sub-bituminous;440.60 - 241.70 m2/cm3 particle volume for light volatile bituminous;452.71 - 247.73 m2/cm3 particle volume for high volatile bituminous;349.11 - 347.52 m2/cm3 particle volume for semi-anthracite and 333.60 - 125.34 m2/cm3 particle volume for anthracite respectively. On the other hand, the aromaticity was determined in the range of 0.66 - 0.76 for lignite;0.67 to 0.80 for sub-bituminous;0.91 - 0.97 for light volatile bituminous;0.93 - 0.99 for high volatile bituminous;0.96 - 1.00 for semi-anthracite and 0.96 to 0.99 for anthracite respectively. The porosity, pore size distribution associated with SAXS and the other crystallite parameters identified with XRD were also determined. Links between the physical and chemical parameters were established.

Time-shift effect of spontaneous combustion characteristics and microstructure difference of dry-soaked coal

The physical and chemical properties of the air-dried residual coal after soaking in the goaf will change,resulting in an increase in its spontaneous combustion tendency.This study aimed to look into the features and mechanism of soaked-dried coal's spontaneous combustion.Five samples of coal were dried to various degrees,and the weight loss features during thermal processing were examined.Based on this,the pore structure and chemical structure characteristics of the coal samples with the highest tendency to spontaneous combustion were quantitatively examined,and the mechanism by which soaking-drying afected the spontaneous combustion heating process of the remaining coal in goaf was investigated in turn.The results show that T1 decreases with the increase of drying time,T2–T6 shows a fuctuating change,and the ignition activation energy of 36-S-Coal is smaller than that of other coal samples.The pore type of 36-S-Coal changes from a oneend closed impermeable pore to an open pore,and the pore group area is large.During the 36 h drying process,the internal channels of the coal were dredged,and a large number of gravels and minerals were precipitated from the pores with the air fow.A large number of gravels were around the pores to form a surface structure that was easy to adsorb various gases.Furthermore,infrared spectroscopy was used to analyze the two coal samples.It was found that soaking and drying did not change the functional group types of coal samples,but the fatty chain degree of 36-S-Coal was reduced to 1.56.It shows that the aliphatic chain structure of coal is changed after 36 h of drying after 30 days of soaking,which leads to the continuous shedding of aliphatic chain branches of residual coal,and the skeleton of coal is looser,which makes the low-temperature oxidation reaction of 36-S-Coal easier.Based on the above results,the coal-oxygen composite mechanism of water-immerseddried coal is obtained,and it is considered that the key to the spontaneous combustion oxidation process of coal is to provide oxygen atoms and accelerate the formation of peroxides.

Preparation and Properties of Chinese Lacquer Modified by Methylolureas

In this study,different molar of methylolureas(MMU)were used to improve the properties and drying speed of the raw lacquer(RL).The drying time,gloss,pencil hardness and impact resistance of the lacquer film were tested.The thermal behaviors and chemical structures of the lacquer membrane were also discussed by thermal gravimetric analysis(TGA),fourier infrared spectrometer(FT-IR)and nuclear magnetic resonance(NMR)analysis,respectively.The results demonstrated that lower molar ratio MMU can significantly improve the properties of lacquer.The TGA analysis showed that the modified lacquer had high thermal stability than that of the control.The FT-IR and 13C NMR analysis revealed that the structures of the modified lacquer were significantly improved by cross-linking with the hydroxymethyl groups and methylene methyl ethers of MMU.In addition,through scanning electron microscopy(SEM)characterization,it was found that the introduction of MMU can effectively improve the surface smoothness of the lacquer film.

An Auto-Grading Oriented Approach for Off-Line Handwritten Organic Cyclic Compound Structure Formulas Recognition

Auto-grading,as an instruction tool,could reduce teachers’workload,provide students with instant feedback and support highly personalized learning.Therefore,this topic attracts considerable attentions from researchers recently.To realize the automatic grading of handwritten chemistry assignments,the problem of chemical notations recognition should be solved first.The recent handwritten chemical notations recognition solutions belonging to the end-to-end trainable category suffered fromthe problem of lacking the accurate alignment information between the input and output.They serve the aim of reading notations into electrical devices to better prepare relevant edocuments instead of auto-grading handwritten assignments.To tackle this limitation to enable the auto-grading of handwritten chemistry assignments at a fine-grained level.In this work,we propose a component-detectionbased approach for recognizing off-line handwritten Organic Cyclic Compound Structure Formulas(OCCSFs).Specifically,we define different components of OCCSFs as objects(including graphical objects and text objects),and adopt the deep learning detector to detect them.Then,regarding the detected text objects,we introduce an improved attention-based encoder-decoder model for text recognition.Finally,with these detection results and the geometric relationships of detected objects,this article designs a holistic algorithm for interpreting the spatial structure of handwritten OCCSFs.The proposedmethod is evaluated on a self-collected data set consisting of 3000 samples and achieves promising results.

Triterpenoid Saponins from the Seeds of Aesculus chinensis and Their Cytotoxicities

Six new triterpenoid saponins,aesculusosides A-F(1-6),together with 19 known ones,were isolated from the seeds of Aesculus chinensis.The new structures were elucidated through extensive spectroscopic analyses and by comparison with previously reported data.Some of the isolates were evaluated for their cytotoxic activities against MCF-7 cell line by an MTT assay,and compounds 15,16,19,and 23-25 exhibited inhibitory activities against MCF-7 with IC50 values ranging from 7.1 to 31.3μM.

Secondary Metabolites of the Genus Trichilia:Contribution to the Chemistry of Meliaceae Family

According to the literature data on the chemical composition of the Trichilia genus performed in this work, it can be concluded that 334 different compounds were isolated and identified, distributed in monoterpenes, sesquiterpenes, diterpenes, triterpenes, steroids, limonoids, coumarins, flavonoids, lignans, phenolic acids, amino acids and lactones. Together with the structures of this compound, data from botanical classification and pharmaco-logical results from extracts and pure compounds on the Trichilia genus were also described. The compounds derived from terpenes pathway were more significant, corresponding to about 87.7% of isolated and identified compounds from various Trichilia species. Among the different terpenoid skeletons of this kind, limonoids were meanly reported, appearing a total of 33.9% of compounds isolated from several Trichilia species.

A new iridoid glycoside from Paederia scandens

A new glycoside named 6β-O-β-D-glucosylpaederosidic acid(1) was isolated from Paederia scandens and its structure was elucidated on the basis of spectroscopic and chemical evidence,together with four known iridoids,paederoside(2),paederosidic acid(3),paederosidic acid methyl ester(4),and deacetyl asperulosidic acid methyl ester(5).Compound 5 was isolated from this plant for the first time.

Preparation and Characterization of Phenolic Prepolymer Impregnated Chinese Fir by Cyclic Increasing-Pressure Method with Green and Efficient

The Chinese fir wood was impregnated using a cyclic increasingpressure method(CIPM)with phenolic prepolymers as the impregnating modifier.Unmodified Chinese fir and progressive increasing-pressure method(PIPM)impregnated Chinese fir were used as reference samples and were compared and analyzed.The product’s chemical structure,internal morphology,crystal structure,and heat resistance were characterized.The transversal and longitudinal sections showed better filling effects,so that it bore greater external loading and reduced the water storage space.CIPM infused more phenolic prepolymer into the Chinese fir.Not only producing more physical filling but also forming more hydrogen bond associations and chemical bond combinations.Compared with PIPM and unmodi-fied Chinese fir,the CIPM impregnated Chinese fir had better mechanical strength and water resistance.The cellulose chains in CIPM impregnated Chinese fir were more closely linked and their crystallinity were clearly improved.Changes in internal morphology and crystal structure explained the reason why the mechanical properties and water resistance of CIPM impregnated Chinese fir were improved significantly.This Chinese fir had lower thermal decomposition rates,higher decomposition residual rates,and smaller combustion flames,which confirmed that it possessed improved heat and fire resistance.

The Even-Odd and the Isoelectronicity Rules Applied to Single Covalent Bonds in Ionic, Double-Face-Centered Cubic and Diamond-Like Crystals

Although atom configuration in crystals is precisely known thanks to imaging techniques, there is no experimental way to know the exact location of bonds or charges. Many different representations have been proposed, yet no theory to unify conceptions. The present paper describes methods to derive bonds and charge location in double-face-centered cubic crystals with 4 and 6 atoms per unit cell using two novel rules introduced in earlier works: the even-odd and the isoelectronicity rules. Both of these rules were previously applied to ions, molecules and some solids, and the even-odd rule was also tested on two covalent crystal structures: centered-cubic and single-face-centered cubic crystals. In the present study, the diamond-like structure was subjected to the isoelectronicity rule in order to derive Zinc-blende structures. Rock-salt-like crystals were derived from each other using both rules. These structures represent together more than 230 different crystals. Findings for these structures are threefold: both rules describe a very sure method to obtain valid single covalent-bonded structures;single covalent structures can be used in every case instead of the classical ionic model;covalent bonds and charges positions do not have any relation with the valence number given in the periodic table.

Charge transport and bipolar switching mechanism in a Cu/HfO_2/Pt resistive switching cell

Bipolar resistance switching characteristics are investigated in Cu/sputtered-HfO_2/Pt structure in the application of resistive random access memory(RRAM).The conduction mechanism of the structure is characterized to be SCLC conduction.The dependence of resistances in both high resistance state(HRS) and low resistance state(LRS) on the temperature and device area are studied.Then,the composition and chemical bonding state of Cu and Hf at Cu/HfO_2 interface region are analyzed by x-ray photoelectron spectroscopy(XPS).Combining the electrical characteristics and the chemical structure at the interface,a model for the resistive switching effect in Cu/HfO_2/Pt stack is proposed.According to this model,the generation and recovery of oxygen vacancies in the HfO_2 film are responsible for the resistance change.

The Novel Pyruvated Glucogalactan Sulfate Isolated from the Red Seaweed, Hypnea pannosa

The polysaccharide was isolated from Hypnea pannosa which was grown in Okinawa, Japan. The yield of the polysaccharide was 17.2%, and the total carbohydrates, pyruvic acid, sulfuric acid and ash contents were 55.2%, 3.8%, 35.2% and 24.3%, respectively. 3,6-Anhydro-α-D-galactose, β-D-galactose, α-D-galactose and D-glucose were identified by liquid and thin-layer chromatography. Fourier transform infrared (FTIR) spectra of the polysaccharide resembled that of ι-carrageenan. From the 1H- and 13C-NMR spectra, 1,3-linked β-D-galactose, 1,4-linked anhydro-α-D-galactose, 1,4-linked α-D-galactose, 1,4-linked β-D-glucose and pyruvic acid (carboxyl acetal, methyl proton and methyl carbon) were assigned. Methylation analysis revealed terminal D-galactose 0.1 mol), 1,4-linked D-glucose (1.0 mol) and 1,2,3,4,6-linked D-galactose (3.7 mol) for native polysaccharide, and terminal D-galactose, 1,4-linked D-galactose (1.9 mol), 1,4-linked D-glucose (1.0 mol), 1,3- linked D-galactose (1.7 mol), and 1,3,4,6-linked D-galactose (0.3 mol) which substituted with pyruvate group at 4 and 6 positions for desulfated polysaccharide. The polysaccharide was the novel pyruvated glucogalactan sulfate, the structure of which was proposed.

Study on Biological Activity of New Compound SYP-260

SYP-260 is one of the novel pyrimidine structure chemicals.The biological activity of new compound SYP-260 was tested in this paper using different bioassay methods in the laboratory.Experimental results indicated that the values of median lethal concentration(LC50,72 h)of new compound SYP-260 against broad bean aphid,green peach aphid and cotton aphid were 0.1708,0.2455 and 0.2632 mg·L-1,respectively.The LC50 of new compound SYP-260 was 0.8892 mg·L-1 against adult mite and the ovicidal activity of new compound SYP-260 was 0.7166 mg·L-1.The LC50 of new compound SYP-260 was 22.1991,71.6915,79.6149 and 42.5698 mg·L-1 against oriental armyworm,diamondback moth,corn borer and beet armyworm,respectively.And at the concentration of 50 mg·L-1,the bioassay result showed that new compound SYP-260 could be absorbed by host plant roots.The temperature bioassay result indicated that new compound SYP-260 was a positive temperature coefficient chemical.So new compound SYP-260 had excellent biological activity against nine different insect targets,such as broad bean aphid,green peach aphid and carmine spider mite.Moreover,this new compound had systemic action,too.Therefore,new compound SYP-260 had good bioactivity against many kinds of insect targets with novel chemical structures.

A systematic review on the neuropharmacological activities of Oligosaccharide ester in Polygalae Radix

Polygalae Radix,which has a long history of medical use in traditional Chinese medicine,is multifunctional such as tranquilize mind,relieve swelling and remove phlegm.It has been demonstrated that Polygalae Radix oligosaccharide ester is the main active component which excutes the neuropharmacological activities like antidepression,anti-dementia and neuroprotection.In this review,the chemical structure,pharmacology,pharmacokinetics and processing mechanism of Polygalae Radix oligosaccharide ester are summarized so as to provide reference for its further development and utilization.

Chitosan-based Nanosystems as Drug Carriers

The formation and application of polymeric nanomaterials is great demand in science,industry,biotechnology,and medicine due to the possibility of achieving a significant improvement in the physicochemical,mechanical,and barrier properties of polymers and using them as drug carriers and fillers,which is especially promising for biodegradable polymers such as chitosan and their derivatives.The article presents methods for creating polymer nanostructures based on polysaccharides and,in particular,chitosan.Obtaining nanostructured samples of chitosan using the approaches of chemical transformation and modification of polysaccharides is an urgent scientific problem,the solution of which makes it possible to obtain new polymer systems of great practical interest.The medical aspects of the use of polymer carriers based on chitosan for the treatment of various diseases are discussed.The unique specificity of the properties of chitosan and nanomaterials derived from it,with the properties inherent in this natural polymer,can serve as a promising future,especially in the field of medicine.

Intelligent ion gels: Design, performance, and applications

Intelligent ion gels,which possess highly tunable mechanical,electrical,and stimulus‐responsive properties,have emerged as powerful candidates in the field of artificial intelligence,telemedicine,and health monitoring.To enrich the functionality of ion gels,it is critical to explore the link between the structure and function of ion gels.In this review,we provide an overview of the synthesis path and functional derivatives of ion gels.The conformational relationships of ion gels have been discussed,such as the effect of structure on electrical conductivity as well as sensing properties.From the perspective of stimulus response,the role of ion gels in areas such as bionic haptics,neural devices,artificial muscles,and intelligent displays has also been explored.It is possible that smart ion gels will open up a new horizon in the upcoming smart era,especially after the current challenges are resolved.

A sliding-mode triboelectric nanogenerator with chemical group grated structure by shadow mask reactive ion etching

With the support by the National Natural Science Foundation of China,a collaboration by the research groups led by Prof.Cheng Gang(程纲)from Henan University and Prof.Wang Zhonglin(王中林)from Beijing Institute of Nanoenergy and Nanosystems,Chinese Academy of Sciences,invents'a sliding-mode triboelectric nanogenerator with chemical group grated structure by shadow mask reactive ion etching',which was published in ACS Nano(2017,11(9):8796-8803).