Search

Decalin is considered as an important compound of high-energy-density endothermic fuel, which is an ideal on-board coolant for thermal management of advanced aircraft. However, decalin contains two isomers with a tunable composition, and their effects on the pyrolysis performance, such as the heat sink and coking tendency have not been demonstrated. Herein, we investigated the pyrolysis of decalin isomers, i.e., cis-decalin, trans-decalin and their mixtures (denoted as mix-decalin), in order to clarify the effects of the cis-/trans-structures on the pyrolysis performance of decalin fuels. The pyrolysis results confirmed that conversion of the tested fuels (600–725 °C, 4 MPa) decreased in the order cis-decalin > mix-decalin > trans-decalin. Detailed analyses of the pyrolysis products were used to compare the product distributions from cis-decalin, mix-decalin and trans-decalin, and the yields of some typical components (such as cyclohexene, 1-methylcyclohexene, benzene and toluene) showed significant differences, which could be ascribed to deeper cracking of cis-decalin. Additionally, the heat sinks and coking tendencies of the decalins decreased in the order cis-decalin > mix-decalin > trans-decalin. This work demonstrates the relationship between the cis/trans structures and the pyrolysis performance of decalin, which provides a better understanding of the structure-activity relationships of endothermic hydrocarbon fuels. [ABSTRACT FROM AUTHOR]

The development of advanced air transportation has raised new demands for high-performance liquid hydrocarbon fuels. However, the measurement of fuel properties is time-consuming, cost-intensive, and limited to the operating conditions. The physicochemical properties of aerospace fuels are directly influenced by chemical composition. Thus, a thorough investigation should be conducted on the inherent relationship between fuel properties and composition for the design and synthesis of high-grade fuels and the prediction of fuel properties in the future. This work summarized the effects of fuel composition and hydrocarbon molecular structure on the fuel physicochemical properties, including density, net heat of combustion (NHOC), low-temperature fluidity (viscosity and freezing point), flash point, and thermal-oxidative stability. Several correlations and predictions of fuel properties from chemical composition were reviewed. Additionally, we correlated the fuel properties with hydrogen/carbon molar ratios (nH/C) and molecular weight (M). The results from the least-square method implicate that the coupling of H/C molar ratio and M is suitable for the estimation of density, NHOC, viscosity and effectiveness for the design, manufacture, and evaluation of aviation hydrocarbon fuels. [ABSTRACT FROM AUTHOR]

• The research progress of flexible composite phase change materials in BTMS applications is integrated. • The methods of PCM to enhance heat transfer performance and safety performance are summarized. • The flexible mechanism of FCPCM in BTMS is discussed in terms of molecular structure, interactions and mechanistic aspects. • The challenges of FCPCM in inorganic material development, recyclability and protection performance are presented. The trend for electric vehicles to replace traditional fuel vehicles is becoming increasingly apparent with the global tendency towards carbon peaking and carbon neutrality. As the core of electric vehicles, the working safety of lithium-ion batteries is becoming more and more important. This review presents an overview of the battery thermal management system (BTMS) based on flexible composite phase change materials (FCPCM), which discusses the flexibility generation mechanism of FCPCM for BTMS in terms of molecular structure, interactions and mechanistic aspects. Before introducing FCPCM, this review summarizes the approaches of phase change materials (PCM) in enhancing thermal conductivity, anti-leakage performance and safety performance. However, there are still defects such as strong rigidity and poor mechanical strength. The inclusion of flexible matrix could effectively improve the flexibility. Microscopically, flexibility is enhanced by the creation of the flexible structure. At the contact interface, the enhanced flexibility increases the interfacial wettability, thus reducing the contact thermal resistance between the PCM and the cell, and enabling the heat transfer performance to be improved. Due to the different flexible materials added, the microscopic mechanisms vary, including flexible structural support, physical cross-linking of microscopic molecular chains and chemical bonding cross-linking between molecules. Thermal induced flexibility enhances the packaging performance of FCPCM. Furthermore, FCPCM offers considerable improvement in mechanical and shape memory properties due to inter-molecular interactions. This review provides a timely introduction to the emerging advantages of FCPCM over traditional composite PCMs for BTMS applications. Finally, the challenges and difficulties encountered in the application of FCPCM in batteries are pointed out, and an outlook on future research directions is given. [ABSTRACT FROM AUTHOR]

Migraine is a common neurological disorder with a serious impact on quality of life. The aim of this study was to explore the effect of baicalin on nitroglycerin-induced migraine rats. We carried out a behavioral research within 2 h post-nitroglycerin injection, and blood samples were drawn for measurements of nitric oxide (NO), calcitonin gene-related peptide, and endothelin (ET) levels. Immunohistochemistry was adopted to detect the activation of C-fos immunoreactive neurons in periaqueductal gray. The number, area size, and integrated optical density of C-fos positive cells were measured using Image-Pro Plus. As a result, baicalin administration (0.22 mm/kg) alleviated pain responses of migraine rats. It profoundly decreased NO and calcitonin gene-related peptide levels, increased ET levels, and rebuilt the NO/ET balance in migraine rats. Besides, baicalin pretreatment significantly reduced the number, the stained area size, and integrated optical density value of C-fos positive cells. In brief, this paper supports the possibility of baicalin as a potential migraine pharmacotherapy. Copyright © 2017 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Fully structural interconversions between monomeric Pd2L4 and interlocked dimeric Pd4L8 cages have been investigated to elucidate their thermodynamic stability defined by their anion-guest binding behaviours. [ABSTRACT FROM AUTHOR]

Depressive disorder is a severe psychiatric problem all over the world. Clinical therapeutic agents for the treatment of depression in the market targeting on monoamine neurotransmitters are far from satisfaction due to their adverse effects. Novel classes of antidepressant agents with different mechanisms and low toxicity are needed. Natural products from traditional Chinese medicines have been revealed as new sources to cure the depressive symptoms with various chemical structures and promising activities. This paper reviews natural products as antidepressants documented in Chinese patents so far. [ABSTRACT FROM PUBLISHER]

Five isomorphous lanthanide-organic frameworks based on 3-carboxymethoxy phenyl acrylic acid (H2L), [LnL(HCOO)(H2O)]n (Ln=La(1), Ce(2), Pr(3), Nd(4), Y(5)), have been hydrothermally synthesized. X-ray structural analysis reveals that these complexes are rare organic-inorganic hybrid frameworks with unusual (3, 4, 7)-connected (42.6) (44.62) (49.68.84) topology. Moreover, the magnetic properties of 2 and 3 were also investigated and suggested that the thermal depopulation of the crystal-field energy levels of the multiplet, and the antiferromagnetic interactions between Ln3+ ions. [ABSTRACT FROM AUTHOR]

Two new sesquiterpenoid glycosides, nicotabalactonecoside (1) and nicotabadiolcoside (2), along with four known terpenoids (3–6) were isolated from the leaves of Nicotiana tabacum. The structures of compounds 1 and 2 were determined as dihydrodeacetylphytuberin-2-one 11-O-β-d-glucopyranoside and 1,2-dehydro-4-epieremophil-9-ene-11,12-diol 12-O-β-d-glucopyranoside by extensive spectroscopic analyses (HR-ESI-MS, UV, IR, 1D, and 2D NMR) and chemical method. Compound 1 is an unusual phytuberin-type sesquiterpenoid with a 6/5/5 tricyclic system. [ABSTRACT FROM AUTHOR]

Two new cycloartane triterpenoid glycosides, named curculigosaponin N and curculigosaponin O, were isolated from rhizomes of Curculigo orchioides Gaertn. Their structures were elucidated on the basis of comprehensive spectroscopic analysis including IR, MS, 1D, and 2D NMR (HSQC and HMBC). [ABSTRACT FROM AUTHOR]

Two new C19-diterpenoid alkaloids, named aconitramines D (1) and E (2), were isolated from the roots of Aconitum transsectum. Based on comprehensive spectroscopic analyses including IR, ESI-MS, HR-ESI-MS, and 1D and 2D NMR, their structures were elucidated as 18-demethoxyltransconitine A (1) and 8-O-anisoyl-14-hydroxylacoforesticine (2). [ABSTRACT FROM AUTHOR]

Metal(V, Fe, Ce, Cu, Cr)-doped TiO2were synthesized for the photoisomerization of norbornadiene. Characterizations indicate that V and Fe are located in the substitutional sites of TiO2, Ce ions dispersed in the interstitial sites, while Cr and Cu aggregated on the surface. The order of activity is Fe−TiO2> V−TiO2> Cr−TiO2> Ce−TiO2> TiO2> Cu−TiO2, suggesting the local structure and type of dopant are crucial. Materials with various V and Fe content were further studied. Fe ions are well dispersed in TiO2lattice even at high metal content, whereas many separated V2O5phases are formed. The activity of V−TiO2changes with V content and the optimal Ti/V ratio is 15, but the activity of Fe−TiO2is independent of the metal content. Attributed to the high dispersion, Fe−TiO2is much more active than V−TiO2. The photoreactivity is correlated with the surface lattice oxygen, and a mechanism is proposed to explain the photoisomerization and role of Fe dopant. [ABSTRACT FROM AUTHOR]

Abstract: Peracetylated 2-deoxy-d-erythro-pentose (2-deoxy-d-ribose) was synthesized through the acetylation of 2-deoxy-d-ribose with acetic anhydride in pyridine, and the products (including all four ring forms) exist in form of either a white solid or a syrup. A single crystal of 1,3,4-tri-O-acetyl-2-deoxy-β-d-erythro-pentopyranose was obtained from the syrup and its structure was determined by X-ray diffraction. The crystal adopts the 1 C 4 conformation, presenting an orthorhombic system, space group P212121 with Z =4, unit cell dimensions a =7.2274 (3)Å, b =8.0938 (5)Å, and c =22.0517 (11)Å. [Copyright &y& Elsevier]

Organic molecules featuring weak spin-orbit and hyperfine interactions show promise in the construction of effective spintronic devices. However, the impact of molecular structures on anisotropic magnetoresistance at the single-molecule level remains to be explored. In this work, we report systematic investigations on the construction and magnetoresistance of spintronic single molecule junctions of aliphatic dicarboxylic acids HOOC−(CH 2) n −COOH (n=1−4) and conjugated benzenedicarboxylic acids HOOC-(C 6 H 4) n -COOH (n=1-3) binding to Fe electrodes by employing electrochemically assisted jump-to-contact STM break junction technique (JTC-STM-BJ) under a constant of external magnetic field. Results show that single-molecule tunneling anisotropic magnetoresistance (AMR) of alkanedicarboxylic acids is independent of the molecular length and can reach as large as 44% (average), which is about twice that of benzenedicarboxylic acids. The almost same constant β N value but different contact conductance G c with the applied magnetic field indicate that AMR arise from interface effect and spin injection. Besides Br substituent on the benzene ring can almost double the AMR by changing the spatial distribution of molecular charge density and frontier orbital characteristics. The present work shows that molecular structures play important roles in electron transport through single-molecule spintronic junctions. [ABSTRACT FROM AUTHOR]

The reactions of Cu(lI) with the mixed nitrilotriacetic acid (H3NTA) and 4,4'-bipyridyl (4,4'-bpy) ligands in different metal-to-ligand ratios in the presence of NaOH and NaClO4 afforded two complexes, Na3[Cu2(NTA)2(4,4'-bpy)]-ClO4·5H2O (1) and [Cu2(NTA) (4,4'-bpy)2]ClO4·4H2O (2). The two complexes have been characterized by elemental analysis, IA, XRD, and single-crystal X-ray diffraction. 1 contains a basic doubly negatively charged [Cu2(NTA)2-(4,4'-bpy)]2- dinuclear unit which was further assembled via multiple Na-O and O-H⋯O interactions into a three-dimensional (3D) pillared-layer structure. 2 features a two-dimensional (2D) undulated brick-wall architecture containing a basic doubly positively charged [Cu4(NTA)2(4,4'-bpy)2]2+ tetranuclear unit. The 2D network possesses large cavities hosting guest molecules and was further assembled via O-H&#x22EFO hydrogen bonds into a 3D structure with several channels running in different directions. [ABSTRACT FROM AUTHOR]

The NH unit on the exocyclic carbon-carbon double bond in the title compound, C24H21N3O, lies on the same side of the double bond as the carbonyl unit of the pyrazolonyl ring, and the two interact through an N—H⋯O hydrogen bond [2.714 (2) Å]. [ABSTRACT FROM AUTHOR]

One unusual stilbene trimer-flavonoid hybrid, paeonilactiflobenoid (1), together with six known stilbenes (2–7) were isolated from the seeds of Paeonia lactiflora. The structure of 1 was elucidated with the aid of HRESIMS, 1D and 2D NMR, [ α ] D spectroscopic data and ECD calculation. Compounds 2 – 7 showed stimulative effects on GLP-1 secretion with promoting rates of 79.8%–880.4% (25 μM) and 217.6%–1089.4% (50 μM), more potent than the positive control, oleoylethanolamide (250.2% at 50 μ M). Moreover, compounds 4 and 6 exhibited agonistic activity on the G protein-coupled receptor (GPCR) TGR5 with stimulative ratios of 40.2% and 40.5% at 50 μM, and 54.2% and 49.1% at 100 μM, respectively. Docking study manifested that 6 well located in the catalytic pocket of TGR5 by hydrogen-bond and hydrophobic interactions. The GLP-1 promotion of 6 could be attenuated by IP 3 , Ca2+/CaMKII and MEK/ERK pathway inhibitors, suggesting that these pathways played important roles in GLP-1 secretion. Thus, stilbenes in peony seeds maybe regarded as potential GLP-1 secretagogues through TGR5-IP 3 -Ca2+/CaMKII-MEK/ERK pathways. [Display omitted] • One usual stilbene trimer-flavonoid hybrid was isolated from peony seeds. • Six stilbenes showed stimulative effects on GLP-1 secretion. • Compounds 4 and 6 exhibited agonistic activity on TGR5 receptor. • The GLP-1 promotion of 6 was attenuated by IP 3 , Ca2+/CaMKII and MEK/ERK inhibitors. [ABSTRACT FROM AUTHOR]

Artemdubosides A-E (1–5), the first examples of natural polyacetylenes substituted by 6'- O -crotonyl β- glucopyranoside, and artemdubosides F-G (6–7) that were two unusual polyacetylenes featuring a 6'- O -acetyl β- glucopyranoside moiety, were isolated from Artemisia dubia var. subdigitata. Their structures were elucidated based on the spectral data including HRESIMS, UV, IR, 1D and 2D NMR, and ECD calculations. Antihepatoma assay suggested that compound 1 exhibited activity against HepG2, Huh7, and SK-Hep-1 cells with inhibitory ratios of 77.1%, 90.8%, and 73.1% at 200.0 μM, respectively. [Display omitted] • Artemdubosides A-G (1 – 7) were isolated from Artemisia dubia var. subdigitata. • Compounds 1 – 5 represented the first examples of natural polyacetylenes substituted by 6′-O-crotonyl β-glucopyranoside. • Compounds 6 – 7 represented the first examples of natural polyacetylenes substituted by 6′- O -acetyl β-glucopyranoside. • Compound 1 showed activity against HepG2, Huh7, and SK-Hep-1 cells at 200.0 μM. [ABSTRACT FROM AUTHOR]

[Display omitted] • Relationship between fuel molecular structure and pyrolysis performance was investigated. • Pyrolysis conversion of the fuels is highly associated with their C + H atom numbers. • The heat sink of the fuels is closely correlated with n H/C 6.9 × n H+C 3.8. High-energy-density endothermic hydrocarbon fuels (HDEHFs) are the ideal on-board coolants for the thermal management of advanced aircrafts. However, the pyrolysis performace of high-energy-density (HED) fuels with different molecular structures remains ambiguous. Herein, we investigated the pyrolysis performance of five HED fuels with different cyclic structures, i.e., bicyclohexyl (BCH), perhydrofluorene (PHF), decahydronaphthalene (DHN), exo -tetrahydrodicyclopentadiene (exo -THD) and cyclopropyl-tetrahydrodicyclopentadiene (CTHD), to reveal the molecular structure-reactivity relationship. The pyrolysis conversion (650 °C, 4 MPa) of the tested fuels is in the order of CTHD > PHF > BCH > DHN > exo -THD, which is highly associated with their C + H atom numbers, n H+C (except for CTHD with high-tension ring). With the analysis of product distribution as well as DFT calculation, the decomposition reaction pathways of the fuels were proposed. The heat sink of the fuels follows the order of BCH > PHF > DHN > exo -THD > CTHD, which is closely correlated with n H/C 6.9 × n H+C 3.8. Meanwhile, the fitting results between molecular structures and physicochemical properties of the fuels were also demonstrated. This study could provide a guidance on the design and development of HDEHFs fuels for the high-performance aerospace vehicles with long flight distance and hypersonic speed. [ABSTRACT FROM AUTHOR]

Rearrangement of three types of fused polycyclic hydrocarbonswith carbon atoms 12–14 was conducted using chloroaluminateionic liquid (IL) as acid catalyst. The hydrocarbons undergo quickconfigurational isomerization and then skeletal rearrangement towardalkyl-adamantanes. Although having different molecular structure,these hydrocarbons all lead to adamantanes substituted with 2–3methyl and/or ethyl groups. The alkyl-adamantanes show high density,low freezing point and viscosity, and are very attractive as high-densityfuels. Computation using density functional theory confirms that alkyl-adamantanesare thermodynamically favored and explains the experimental productdistribution very well. On this basis, the reaction pathway of eachhydrocarbon was illustrated. The reaction conditions including acidity(AlCl3fraction), temperature, and IL dosage show significanteffect on the rearrangement. Moreover, the distribution of alkyl-adamantanescan be tuned by adjusting the reaction conditions, allowing the fuels’properties to be fine-tuned. This work provides a versatile routeto synthesizing alkyl-diamondoid fuels using simple chemical feedstocksin an effective way. [ABSTRACT FROM AUTHOR]

Abstract: Eleven transition metal complexes of three asymmetrical tridentate thioether ligands, 8-((pyridin-2-yl)methylthio) quinoline (TQMP2), 8-((pyridin-3-yl)methylthio) quinoline (TQMP3), 8-((pyridin-4-yl)methylthio) quinoline (TQMP4) and one symmetrical pentadentate ligand 2,6-bis (8-quinolinylthiomethyl) pyridine (DTQMP) were prepared. The structures of all these complexes were identified by means of elemental analysis (EA), infrared spectra (IR) and single-crystal diffraction, providing three different kinds of basic conformations, (1) discrete mononuclear structures, (2) dinuclear rings and (3) 1D polymer chains. The antibacterial, antifungal and pesticide activities of the four ligands and 11 complexes were also studied. [Copyright &y& Elsevier]

Abstract: Four new hydrogen-bonding (HB) coordination frameworks were synthesized and structurally characterized by using tris(2-benzimidazoylmethyl)amine (ntb) to react with different transition metal salts, which show diversified coordination motifs and hydrogen extending modes due to the contribution of counter-anions, methanol solvents, or spacer ligands, respectively. Among which, complexes 1 and 2 show mononuclear coordination units, connected by abundant N–H⋯N and N–H⋯O bonds formed between the units with trifluoromethanesulfonate (OTf−), azide () anions or methanol solvents into 2D sheets, which are further connected by C–H⋯O or π⋯π interactions into 3D topological nets; while in complexes 3 and 4, the spacer ligands 4-(pyridin-4-yl)pyridine (4′4-bipy) or 4,4′-bipyridine 1,1′-dioxide (dbpo) also participate in the coordination, resulting in either dinuclear coordination units linked by hydrogen-bonding into (4, 4) net or two different kinds of mononuclear units further extended by hydrogen-bonding into array of helical chains. [ABSTRACT FROM AUTHOR]

[Display omitted] • The PtSn/D β catalyst was prepared for high dehydrogenation performance. • Monocyclic cyclohexane without branched chains has the best dehydrogenation property and the highest heat sink. • The branched chain, ring number and five-membered ring have negative effects on dehydrogenation reaction. • Polycyclic alkanes with low H/C ratio and high M have both high density, high volumetric net heat of combustion and high heat sink. Polycyclic alkanes are not only the important components of high-density fuels, but also can be used to cool the overheating parts of hypersonic vehicle through catalytic endothermic dehydrogenation reaction. However, the dehydrogenation performances of cycloalkanes with different molecule structures vary widely. Herein, we investigated the effects of cycloalkane structures, including the length of branched chains, the number of branched chains, the number of rings, and the shape of rings, on the dehydrogenation performance. The results show that cyclohexane (CH) exhibits the best dehydrogenation performance (600 °C, 3 MPa) with >99% conversion, >99% benzene selectivity, and highest total heat sink of 4.47 MJ/kg. The branched chains, ring number and five-membered rings all have negative effects on dehydrogenation. Among them, the number of rings has the minimum negative impact. Moreover, we correlated the density, volumetric net heat of combustion (NHOC) and heat sink with the molecular structure of the cyclic alkanes and found that the polycyclic alkanes with low H/C ratio and high M have both high density, high volumetric NHOC and high heat sink. This work can provide guidance for development and design of advanced fuels for endothermic dehydrogenation. [ABSTRACT FROM AUTHOR]

• Jet-fuel-ranged blending is synthesized with high molar yield of 83.9% in one-pot reaction using phenol and cyclopentanol. • The fuel blending has high density and good low-temperature property. • Feedstock is derived from lignocellulose. • Cyclopentylcyclohexane with high density 0.88 g/mL and low freezing point <−75 °C. Synthesizing high performance jet fuel from biomass provides potential way to convert low-cost biomass to valuable fuels and meets the requirements of sustainable development. Here, we report a one-pot synthesis of high density and low freezing point jet-fuel-ranged blending from bio-derived phenol and cyclopentanol, which is with high yield, simple and low-cost for scale-up. With the co-presence of acid catalyst like Hβ and metal catlayst like Pd/C, the alkylation first happens to produce bi-and tri-cyclic compounds under N 2 atomphere, then in H 2 atmosphere the remained reactant is partly hydrogenated and takes part in alkylation again to produce cyclic compounds, finally hydrodeoxygenation happens to convert all the compounds to cyclic hydrocarbons. A jet-fuel-blending containing bi- and tri-cyclic alkanes is obtained at high molar yield of 83.9% from the starting reactant, which shows high density of 0.89 g/mL, freezing point lower than −75 °C. Especially, the major component, i.e. cyclopentylcyclohexane shows much better low-temperature properties compared with reported hydrocarbons with similar molecular structure. This result provides a simple, low-cost way to synthesize high performance jet fuel from biomass. [ABSTRACT FROM AUTHOR]

Artemeriosides A–F (1 – 6), six novel sesquiterpenoids containing a 6′- O -crontonyl β -glucopyranoside, were isolated from Artemisia annua L. Their structures were determined by spectral data including HRESIMS, IR, UV, 1D and 2D NMR, and ECD calculations. Compounds 1 – 6 represented the first examples of natural sesquiterpenoid substituted by 6′- O -crontonyl β -glucopyranoside. By antihepatoma assay, compounds 1 and 2 demonstrated inhibitory effect against both HepG2 and SK-Hep-1 cells with inhibitory ratios of 77.0%, 88.8%, and 86.8%, 83.9% at 200.0 μM, and compound 1 showed inhibitory activity against Huh7 cells with inhibitory ratio of 56.8%. [Display omitted] • Artemeriosides A–F (1–6) were isolated from A. annua. • Their structures contained 6′- O -crontonyl β -glucopyranoside. • Compounds 1–6 represented the first examples of natural sesquiterpenoid. • Compounds 1 and 2 showed activity against HepG2 and SK-Hep-1 cells at 200.0 μM. • Compound 1 showed inhibitory activity against Huh7 cells. [ABSTRACT FROM AUTHOR]

Five new diarylheptanoids, kaemgalangins A–E (1–5), and seven known ones were isolated from the rhizomes of Kaempferia galanga. The structures of new compounds were identified by spectroscopic analyses involving 1D and 2D NMR, HRESIMS, IR, UV, [ α ] D , ECD calculations, and chemical methods. All compounds were tested for their hypoglycemic effects against α -glucosidase, Gpa and PTP1B enzymes, and stimulative effects on GLP-1 secretion. Kaemgalangins A (1) and E (5) showed significant inhibition on α -glucosidase with IC 50 values of 45.3 and 116.0 μM; renealtin B (8) showed inhibition on GPa with an IC 50 value of 68.1 μM; whereas all compounds were inactive to PTP1B. Docking study manifested that 1 well located in the catalytic pocket of α -glucosidase and OH-4″ played important roles in maintaining activity. Moreover, all compounds showed obviously stimulative effects on GLP-1 with promoting rates of 826.9%–1738.3% in NCI-H716 cells. This study suggests that the diarylheptanoids in K. galanga have antidiabetic potency by inhibiting α -glucosidase and Gpa enzymes, and promoting GLP-1 secretion. [Display omitted] • Five new diarylheptanoids, kaemgalangins A–E, were isolated from K. galanga. • Kaemgalangins A and E showed α -glucosidase inhibition (IC 50 = 45.3 and 116.0 μM). • Renealtin B showed GPa inhibitory activity (IC 50 = 68.1 μM). • All compounds showed obvious stimulation on GLP-1 secretion (826.9%–1738.3%). [ABSTRACT FROM AUTHOR]

Fractionation of the ethanol extract of Artemisia verlotorum led to the identification of eight undescribed eudesmane-type sesquiterpenoids, artemverlolides A-H (1 – 8). Their structures were determined by spectral analyses (HRESIMS, 1D and 2D NMR, IR, and ECD). Network pharmacology predicted that compounds 1 – 8 might be target on AURKA, CCNA2, CYP2C19, and EPHX2 with possibly antihepatoma effect from Swiss TargetPrediction and Gene Expression Omnibus database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses showed that the targets significantly enriched in FoxO signaling pathway. The molecular docking suggested that compound 8 had high binding affinity with AURKA. Furthermore, the interaction between compound 8 and AURKA was determined by Surface Plasmon Resonance (SPR) assay. The result suggested that compound 8 bound to AURKA with KD value of 68.0 μM and was consistent with the predicted data, demonstrating that AURKA might be one of acting targets of 8. [Display omitted] • Eight undescribed eudesmane-type sesquiterpenoids were isolated from Artemisia verlotorum. • Network pharmacology demonstrated AURKA, CCNA2, CYP2C19, and EPHX2 were potential targets. • GO and KEGG analysis showed these targets were enriched in FoxO signaling pathway. • Molecular docking suggested these targets and compounds had the potential binding affinity. • SPR assay demonstrated that compound 8 bound to AURKA with KD value of 68.0 μM. [ABSTRACT FROM AUTHOR]

The exploration to increase the fuel energy density is stimulated by the payload and cruising range concerns in aerospace industry. The high-density fuels are always rationally designed for the advanced volume-limited aircrafts to fulfill more complicated missions. Alkyl adamantanes gradually become a prospective class of high-energy-density fuels. Herein, in this work, we reported an approach to synthesize asymmetric cyclopentyl adamantane via AlCl 3 -catalyzed alkylation of adamantane and cyclopentene with an attractive combination of a high density of 0.990 g/mL as well as a low freezing point of −30 °C. The obtained 1-cyclopentyl-adamantane was well designed with the cyclic substituent (enhance the density) and asymmetric structure (lower the freezing temperature). Subsequently, the comprehensive fuel performance of cyclopentyl adamantane, i.e. , density, freezing point, low-temperature viscosity, heating value, and combustion properties were evaluated. It was shown that both density and combustion properties of cycloalkyl adamantane were superior to the typical high-density JP-10 fuel. In addition, the properties of binary fuel mixture (1-cyclopentyl-adamantane and JP-10) demonstrated that cyclopentyl adamantane could be used as a promising blendstock with conventional jet fuel to enhance the energy density and promote the combustion performance of the final fuel blends. [Display omitted] • Asymmetric cycloalkyl adamantane was synthesized via alkylation. • Cyclopentyl adamantane owned higher density than reported adamantanes and JP-10. • Relationships between molecular structure and properties were discovered. • Cyclopentyl adamantane was a novel hydrocarbon fuel for aerospace propulsion. [ABSTRACT FROM AUTHOR]

A two-step sintering method was employed to fabricate BiFeO 3 ceramics and the influences of sintering conditions on the structural, dielectric, ferroelectric, and piezoelectric properties were investigated. It was found that high-density and pure-phase BiFeO 3 ceramics could be successfully achieved through the two-step sintering method by optimizing the sintering conditions. Furthermore, ferroelectricity and piezoelectricity were also improved by the two-step sintering method. The pure-phase BiFeO 3 ceramics obtained at T 1 =850 °C and T 2 =750 °C exhibited high resistivity (1.57×10 6 Ω.m), large remanent polarization ( P r =0.80μC/cm 2 ) and strong piezoelectric activity ( d 33 =42pC/N). All these results indicated that the two-step sintering method was an effective way to improve the properties of the BiFeO 3 ceramics. [ABSTRACT FROM AUTHOR]

The coordination of a rigid triangular ligand 2,4,6-tris[4-(1H-imidazole-1-yl)phenyl]-1,3,5-triazine (TIPT) with Cd(II) ions afforded two compounds with structural motifs of a CdI 2 -type and a (4,4) network for anions OTf − (CF 3 SO 3 − ) and OTs − ( p -CH 3 C 6 H 5 SO 3 − ), respectively, between which structural transition can be induced by anion exchange via solvent-mediated recrystallization process. Using this method, a pure substance can be obtained from a mixture under the excess of certain kind of anions. [ABSTRACT FROM AUTHOR]

Abstract: Microscopic observation and settling test were carried out to investigate the structure, density and settlability of anammox granules taken from a high-rate upflow anaerobic sludge blanket (UASB) reactor. The results showed that the anammox granules were irregular in shape and uneven on surface, and their structure included granule, subunit, microbial cell cluster and single cell. The gas pockets were often observed in the anammox granules, and they originated from the obstruction of gas tunnel by extracellular polymer substances (EPSs) and the inflation of produced dinitrogen gas. The volume of gas pockets became larger with the increasing diameter of anammox granules, which led to the decreasing density and the floatation of anammox granules. The diameter of anammox granules should be controlled at less than 2.20mm to avoid the granule floatation. A hypothesized mechanism for the granulation and floatation of anammox biomass was proposed. [Copyright &y& Elsevier]

Abstract: Four new nortriterpenoids, pre-schisanartanins C and D (1–2) with pre-schisanartane backbone, and propintrilactones A and B (3–4) possessed wuweiziartane framework, were isolated from the acetone extract of the stems of Schisandra propinqua var. propinqua. Their structures were characterized by extensive spectroscopic analyses. Compounds 3 and 4 existed as a pair of slowly interconverting diastereomers at room temperature; their absolute configuration was established by CD methods. Compounds 1–4 showed no cytotoxicity against K562, A549, and HT–29 human cancer cells. [Copyright &y& Elsevier]

[Display omitted] • A novel pyrazoline fluorescent probe 1 was synthesized. • It can be used to detect Zn2+/ Cd2+ with high sensitivity and high selectivity. • It has good fluorescence reversibility. • It can be applied to fluorescent Zn2+/ Cd2+ imaging in living cells. A novel multi-response pyrazoline-based fluorescent probe 1 was designed and synthesized with a very simple molecular structure, which exhibited high sensitivity for detecting Zn2+ and Cd2+ in ethanol aqueous solution state based on the dissuasion of intramolecular charge transfer (ICT) and chelation-enhanced fluorescence (CHEF) effect. The binding modes of the complexes were determined to have 1:1 complexation stoichiometry and the binding constants were calculated to be 1.284 × 104 M−1 for Zn2+ and 4.313 × 103 M−1 for Cd2+ using the nonlinear curve-fitting method. Zn2+ and Cd2+ sensor have high anti-interference ability. Under optimal conditions, the detection limits were determined to be 0.9274 μM for Zn2+ and 0.8158 μM for Cd2+. Notably, the probe was found to have good biological compatibility and was employed to detect Zn2+/ Cd2+ in living Hela cells. [ABSTRACT FROM AUTHOR]

Design and choice of fuels continue to be improved for aviation propulsion, and alkyl adamantanes have attracted great attention due to their high density, good low-temperature properties and potential characteristics. Herein, we reported a facile route to synthesize mono-substituted alkyl adamantanes via modified Grignard coupling (followed with one-step hydrodeoxygenation), including 1-ethyl-adamantane, 2-ethyl-adamantane, and 1- n -propyl-adamantane with high yields (> 75%). The process was modified via concentrating the Grignard reagents and altering the solvent, and one-step hydrodeoxygenation catalyzed by commercial Pd/C and zeolites was developed. Subsequently, comprehensive characteristics of alkyl diamondoid series, such as oxidation stability and combustion properties, were evaluated using pressure differential scanning calorimetry, rapid small-scale oxidation test, and hot-plate ignition test. Also, the specific impulse of alkyl diamondoids were revealed by theoretical calculation. The high-density alkyl diamondoids present adequate oxidation stability and possess better combustion characteristics over JP-10, thus can be considered as potential high-energy-density fuel for aerospace propulsion. [Display omitted] • Mono-substituted alkyl adamantanes are synthesized via modified Grignard coupling. • Alkyl diamondoids exhibit better comprehensive fuel properties than JP-10. • Relationships between molecular structure and properties are discovered. • Alkyl diamondoids are promising high-energy-density fuel for aerospace propulsion. [ABSTRACT FROM AUTHOR]

• Catalytic steam reforming of high-energy–density (HED) fuels was investigated. • Steam reforming reaction can significantly improve the heat sink of HED fuels. • The effects of H/C and (H/C)*M a on steam reforming reactivity were studied. This work investigated the steam reforming (SR) performance of high-energy–density (HED) fuels including exo- tetrahydrodicyclopentadiene (exo -THD), exo -tetrahydrotricyclopentadiene (exo -THT), 1,3-dimethyladamantane (DMA) and quadricyclane (QC), aiming to provide sufficient heat sink for hypersonic flight. The fuel conversion decreases in the order of QC > DMA ≈ exo -THD > exo -THT, while the molecular-structure-dependent catalyst stability trend is DMA > exo -THD > QC ≈ exo -THT, which are related to the H/C value, carbon deposition and exposure of active Ni species after carbon deposition. Importantly, the catalytic SR reaction can significantly improve the total heat sink of HED fuels. Especially, DMA and exo -THD with higher H/C and (H/C)*M a exhibit excellent performance on activity and stability, on which high total heat sink, total heating value and coke-resistance are achieved. This work provides the molecule-SR heat sink relationship for the design of the effective cooling system for the hypersonic flight. [ABSTRACT FROM AUTHOR]

• The oxidation stability and deposition propensity of C10 hydrocarbon fuels were investigated. • The oxidation stability follows the order of n- decane > exo -THDCPD > trans- decalin > cis- decalin > tetralin. • The deposition propensity follows the order of trans- decalin > exo- THDCPD > n- decane > cis- decalin > tetralin. • The oxidation stability is highly associated with molecular-structure-dependent C–H bond dissociation enthalpy. • The deposition propensity is associated with the stability of oxidation intermediates. Thermal oxidation stability is a key issue for jet fuel when serving as a coolant in aircraft. However, the deposition propensity and mechanism of hydrocarbons with different molecule structures remain ambiguous. In this study, the oxidation stability and deposition propensity of C10 hydrocarbon fuels, i.e. , tetralin, cis- / trans- decalin, exo -tetrahydrodicyclopentadiene (exo- THDCPD), and n- decane, were determined. The oxidation stability of hydrocarbons follows the order of n- decane > exo- THDCPD > trans- decalin > cis- decalin > tetralin, which is highly associated with the molecular-structure-dependent C–H bond dissociation enthalpy. Differently, the deposition propensity follows the order of trans- decalin > exo- THDCPD > n- decane > cis- decalin > tetralin, which can be associated with the stability of oxidation intermediates, especially the hydroperoxides. The more stable the intermediates are, the fewer deposits will be produced. These results demonstrate the relationship between thermal oxidation stability and hydrocarbon molecular structure, which is helpful for a better understanding of jet fuel deposition mechanism. [ABSTRACT FROM AUTHOR]

Abstract: Swerilactones E (1), F (2), and G (3), three unusual lactones with a phenyl group, were isolated from the traditional Chinese herb of Swertia mileensis. Their structures were determined based on extensive spectroscopic analysis and X-ray single crystal crystallography. Our anti-HBV assay on the Hep G 2.2.15 cell line in vitro showed that compounds 1 and 2 exhibited significant inhibitory activities against the secretion of HBsAg with IC50 of 0.22 and 0.70mM and HBeAg with IC50 of 0.52 and >6.78mM, respectively. [Copyright &y& Elsevier]