Search

The study aimed to investigate the effects of fucoidan (FU) and ferulic acid (FA) on the pasting, thermal, rheological, microstructural and moisture migration properties of potato starch (PS) gels. Pasting results showed that the presence of FU and FA significantly enhanced the thermal stability and resistance to breakdown, and inhibited the stickiness of starch, with the ternary system (PS-FU-FA) showing the best performance. Thermodynamic results indicated that the PS-FU-FA ternary system markedly reduced the retrogradation rate, with FA counteracting the aging phenomenon induced by FU. Rheological tests revealed that all gel systems exhibited weak gel and pseudoplastic fluid behaviors. FA increased the elasticity of PS gels, while FU and FU-FA reduced the viscoelasticity and thickening coefficient of PS, and improved its resistance to shear thinning. Scanning electron microscopy, infrared spectroscopy and low-field nuclear magnetic resonance results suggested that the changes in the above results were due to the interactions among FU, FA and PS, which increased the short-range order structure, and made the microstructure more uniform, compact and continuous, unfavorable for moisture movement, with better water-holding capacity and thermal stability. This study confirmed that the addition of FU and FA had positive effects on the gel properties of PS, providing new insights for the design strategy of starch-based foods, and promoting the practical application of FU, FA and PS in food industry. [Display omitted] • PS-FU-FA ternary system significantly retarded the aging process of PS gel. • PS-FU-FA gels displayed good pasting properties. • All gel systems exhibit weak gel and pseudoplastic fluid behaviors. • The microstructure of the PS-FU-FA gels was homogeneous and thick. • Water migration in PS gels was hampered by the presence of FU and FA. [ABSTRACT FROM AUTHOR]

Small-molecule inhibitors that block the Keap1-Nrf2 protein-protein interactions are being intensely pursued as a new therapeutic strategy for oxidative stress-related diseases, such as cancer, diabetes, Alzheimer's disease, arteriosclerosis, inflammation and myocarditis. However, there are not enough studies on antioxidant treatments using small molecules in myocarditis. We herein provided a series of novel hydronaphthoquinones as the Keap1-Nrf2 interaction inhibitors targeting LPS-induced myocarditis both in vitro and in vivo . These compounds were designed through an in-silico fragment growing approach based on our previous reported compound, S47 ( 1 ). The new compounds were predicted to form additional hydrogen bonds with the S363 residue, leading to higher inhibitory activity. Among these new derivatives, compounds S01 and S05 emerged as inhibitors with significant biochemical potency, as determined by fluorescent anisotropy assay and confirmed by surface plasmon resonance (SPR) and differential scanning fluorimetry (DSF) assays. These inhibitors can dose-dependently protect the H9c2 cardiac cells against LPS-induced injury (100% at 2 μM and 4 μM) and effectively prolong survival or save the life of LPS-injured mice. Mechanistic studies showed that these inhibitors could release Nrf2 in H9c2 cells and LPS-inflammatory mouse models and translocate into the nucleus in a dose-response manner, which significantly increased the downstream genes (HO-1, NQO-1) and the pro-inflammatory cytokines (TNF-α, IL-1β, IL-6), while ROS production dramatically decreased. Their protective effects and the mechanism of action were further confirmed by siNrf2 transfected experiment. Collectively, the novel hydronaphthoquinones can be used as promising lead compounds for the study of Keap1-Nrf2 protein-protein interactions and further anti-myocarditis drug development. [ABSTRACT FROM AUTHOR]

Trace analysis of chemical analogues was always a hot topic and attracted the researchers' attentions. In this study, a database/multi-step filtering strategy was developed by using HPLC-Chip-MS system for comprehensive characterization of monacolin analogues in monascus -fermented rice product (MFRP). This strategy mainly included three steps, including chemical profile of MFRP by HPLC-Chip-MS, establishment of monacolin analogue database, multi-step filtering of monacolins based on modified mass defect filtering. All target compounds showed the symmetrical peak shapes and high MS response by using nanoflow HPLC-Chip-MS. According to the previous literature and experimental MS data, a database including 720 monacolin analogues was established. The original 522 ions in MFRP were automatically extracted by molecular feature extraction function. And then, through rectangular mass defect filtering and analogues distribution area filtering, 298 ions were further excluded. Finally, a total of 84 monacolins including 16 new compounds were unambiguously identified or tentatively characterized based on MS/MS information. In comparison with conventional mass defect filtering method, the proposed method was accurately able to exclude false positive results. The 438 false positive results were excluded in our study, while only 250 ones would be filtered out by using conventional method. This study provided a sensitive and powerful method for rapidly characterization of trace chemicals in complex matrix. [ABSTRACT FROM AUTHOR]

Spin-wave propagation in periodic magnetization-modulated cylindrical nanowires is studied by micromagnetic simulation. Spin wave scattering at the interface of two magnetization segments causes a spin-wave band structure, which can be effectively tuned by changing either the magnetization modulation level or the period of the cylindrical nanowire magnonic crystal. The bandgap width is oscillating with either the period or magnetization modulation due to the oscillating variation of the spin wave transmission coefficient through the interface of the two magnetization segments. Analytical calculation based on band theory is used to account for the micromagnetic simulation results. [ABSTRACT FROM AUTHOR]

Yinxing Mihuan Oral Solution (YMOS) has been widely applied for the treatment of coronary heart disease, angina pectoris, and cerebral ischemic disease in clinical practice. Nonetheless, the limited basic researches on quality analysis of YMOS remain a critical bottleneck that needs to be enhanced for better clinical applications. In this study, a total of 67 chemical components, including flavonoids, terpene lactones, nucleosides, etc., were tentatively characterized by ultra-high performance liquid chromatography tandem Q-Exactive Orbitrap high-resolution mass spectrometry, among which 34 compounds were further identified by comparison with reference substances. By adopting a methodologically validated method, we discovered that the quantitative estimate of multi-compounds in 22 batches of YMOS showed lot-to-lot consistency, and the additives in YMOS also met the corresponding regulations. Furthermore, five flavonol glycosides whose content presented a downward trend in the expired YMOS were focused. A systematic research on stability test focusing on the five targeted flavonol glycosides was performed under different temperatures and pH levels. It was found that ortho -diphenolic hydroxyl group on B-ring and the type of saccharide connected to 3-hydroxyl on C-ring play a pivotal role in the stability of the tested compounds. Subsequently, as the important compounds, ginkgolides A, B, and C in YMOS were simultaneously quantified with ultra performance liquid chromatography coupled with triple quadrupole mass spectrometry. In brief, this study performs a reliable chemical identification and provides a rapid and feasible method for the quality evaluation, which contributes to the in-depth investigation and safe application of YMOS for clinical uses. [Display omitted] • Chemical compounds in YMOS were globally identified by UHPLC-Q-Orbitrap-MS. • The content of bioactive compounds and additives in YMOS was evaluated by UPLC-PDA. • The flavonol glycosides presented significant downward trend in the expired YMOS. • The stability of five flavonol glycosides was investigated. [ABSTRACT FROM AUTHOR]

Qi-Fu-Yin (QFY), a classical traditional Chinese medicine formula, is proven to have significant neuroprotective effects by modern pharmacological studies. However, the chemical constituents of QFY have not been fully explored. In this study, an ultra-high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UHPLC-QTOF MS) was developed for comprehensive analysis of chemical constituents in QFY. By using characteristic ions and fragmentation rules, a reliable identification of 156 compounds was described here, including 69 triterpene saponins, 23 oligosaccharide esters, 22 flavanoids, 9 alkaloids, 9 phenolic acids, 8 phthalides, 7 phenylethanoid glycosides, 3 xanthones, 3 sesquiterpene lactones, 2 ionones and 1 iridoid glycoside. Twenty-six major compounds were then determined in a single run by UHPLC coupled with triple quadrupole tandem mass spectrometry (QQQ MS) with fast positive/negative polarity switching. It allows for the acquisition of MS data in both ionization modes from a single run. The proposed method was then validated in terms of linearity, accuracy, precision and recovery. The overall recoveries for 26 analytes ranged from 91.35% to 109.58%, with RSDs ranging from 0.82% to 4.83%. In addition, the content of 26 analytes in QFY prepared by five batches of herbal materials was also analyzed. These results demonstrated that our present method was effective and reliable for comprehensive quality evaluation of QFY. Meanwhile, the study might provide the chemical evidence for revealing the material basis of its therapeutic effects. [ABSTRACT FROM AUTHOR]

• A liquid chromatography-ion mobility-mass spectrometry method was established. • A 2-step filtering strategy integrated CCS interval predicting and MDF was developed. • Power regression was used to generate the CCS interval with 99% confidence level. • Totally, 172 isoquinoline alkaloid analogues were identified in four herbal samples. • False positive rates of integrated 2-step filtering and common MDF were compared. Rapid identification of chemical analogues in herbal medicines using liquid chromatography-mass spectrometry was an efficient tool for discoveries of potentially active ingredients. Multi-dimensional combination of various separation technologies could significantly enhance the capacities for detection of trace components and discrimination of multiple isomers. In this study, an integrated two-step filtering strategy on liquid chromatography-ion mobility tandem with quadrupole-time-of-flight mass spectrometry (LC-IM-QTOF MS) was developed for identification of analogues in complex matrixes. The extracted raw data were preliminarily filtered by a collision-cross section (CCS) interval generated from power regression with confidence level at 99% for prediction of analogues. Then, the remained ions were further screened using a mass defect filtering (MDF) window based on m/z and decimal m/z of potential skeletons and substituents. By applying this strategy, 86, 102, 73, and 57 isoquinoline alkaloids were identified in herbal materials of Coptis chinensis Franch (CC), C. deltoidea C.Y.Cheng et Hsiao (CD), C. teeta Wall (CT), and Corydalis yanhusuo W.T.Wang (CY). The integrated two-step filtering presented higher efficiencies on exclusion of the background interference and reducing the false-positive rates than previously reported approaches. This study facilitated the application of LC-IM-MS on small molecular analysis and promoted the discoveries of bioactive components of herbal medicines for further pharmacological researches and quality control. [ABSTRACT FROM AUTHOR]

Abstract: We investigated the effect of surface roughness on the electrical characteristics in amorphous indium–gallium–zinc oxide (a-IGZO) thin-film transistors (TFTs) fabricating high-κ Sm2O3 gate dielectrics, prepared under different annealing temperatures. The high-κ Sm2O3 a-IGZO TFT device annealed at 200°C exhibited better electrical characteristics, including a large field effect mobility of 6.25cm2/Vs, small threshold voltage of 0.79V, low subthreshold swing of 354mV/decade, and high I on/I off ratio of 3.1×107. These results are attributed to the formation of smooth surface at the oxide/channel interface. Furthermore, the reliability of a Sm2O3 a-IGZO TFT device can be improved by oxygen annealing at low temperature. [Copyright &y& Elsevier]

Abstract: Lipopolysaccharide (LPS)-induced vascular endothelial cell (VEC) dysfunction is an important contributing factor in vascular diseases. Recently, we found that LPS impaired VEC by inducing autophagy. Our previous researches showed that a butyrolactone derivative, 3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one (3BDO) selectively protected VEC function. The objective of the present study is to investigate whether and how 3BDO inhibits LPS-induced VEC autophagic injury. Our results showed that LPS induced autophagy and led to increase of reactive oxygen species (ROS) and decrease of mitochondrial membrane potential (MMP) in Human umbilical vein vascular endothelial cells (HUVECs). Furthermore, LPS significantly increased p8 and p53 protein levels and the nuclear translocation of p53. All of these effects of LPS on HUVECs were strongly inhibited by 3BDO. Importantly, the ROS scavenger N-acetylcysteine (NAC) could inhibited LPS-induced autophagy and knockdown of p8 by RNA interference inhibited the autophagy, p53 protein level increase, the translocation of p53 into nuclei and the ROS level increase induced by LPS in HUVECs. The data suggested that 3BDO inhibited LPS-induced autophagy in HUVECs through inhibiting the ROS overproduction, the increase of p8 and p53 expression and the nuclear translocation of p53. Our findings provide a potential tool for understanding the mechanism underlying LPS-induced autophagy in HUVECs and open the door to a novel therapeutic drug for LPS-induced vascular diseases. [Copyright &y& Elsevier]

Photoactive enzymes have been proposed as promising catalysts in photocontrolled reversible addition–fragmentation chain transfer (RAFT) polymerization. However, only a few enzymes have the photoactive properties suitable for initiating RAFT polymerization. Herein, we synthesize nanozymes with uniform and well-defined nanostructures through coassembly of albumin and photosensitizer. The resulting nanozymes feature the absorption bands of the monomeric photosensitizer, facilitating efficient light capture and electron transfer, which lead to high conversion efficiencies in photocontrolled RAFT polymerization. Importantly, the nanozymes show good reusability in multiple rounds of polymerizations and precise controllability of activation and deactivation of the reactions. This work represents the first realization of photoactive nanozymes that can be used for photocontrolled RAFT polymerization and thus will conceivably promote the rational design and catalytic applications of functional nanozymes. [Display omitted] • Nanozymes were constructed by coassembly of albumin and photosensitizer. • The nanozymes show uniform and well-defined nanostructures. • The photosensitizer in the nanozymes is in a monomeric state. • The nanozymes show high conversion efficiencies in RAFT polymerization. • The nanozymes have good reusability and precise controllability in polymerization. [ABSTRACT FROM AUTHOR]

• A rapid, sensitive and selective UHPLC-MS/MS method was developed and validated. • Twenty components were quantified in rat plasma and brain orally administrated by JWQFY. • These results were further applied to pharmacokinetic and brain distribution studies. • Six compounds were considered as the potential effective components of JWQFY. A rapid ultra-high performance liquid chromatography coupled with triple quadrupole tandem mass spectrometry (UHPLC-QqQ MS/MS) approach with high sensitivity and selectivity was developed for the quantification of twenty compounds, including 9 saponins, 8 flavonoids, 2 oligosaccharide esters and 1 phenolic acid, in rat plasma and brain, which was administrated intragastrically with Jia-Wei-Qi-Fu-Yin (JWQFY), Mass spectrometric detection was operated under multiple reaction monitoring (MRM) mode. All calibration curves possessed good linearity with correlation coefficients (r2) higher than 0.9916 in their respective linear ranges. For intra- and inter-day precision, all the relative standard deviations (RSDs) at different levels were less than 14.68 %. Based on the UHPLC-QqQ MS/MS quantitative results, pharmacokinetic study and brain distribution of multiple components in JWQFY was then successfully performed. As a result, constituents with discrepancy structures showed diverse pharmacokinetic and distribution characteristics. For instance, ferulic acid (phenolic acid), 3, 6′-disinapoyl sucrose and tenuifoliside A (oligosaccharide esters) showed short T max (< 10 min), whereas the T max of ginsenosides Rb 1 , Rb 2 and Rc (ppd-type terpenoid saponins) were much longer (> 4 h). Besides, ferulic acid, epimedin C, icariin, glycyrrhizin, ginsenoside Rb 1 and ginsenoside Rg 1 were considered as the potential effective ingredients of JWQFY because of their relatively high exposure to blood and brain. Our study would provide relevant information for discovery of pharmacodynamic ingredients, as well as further action mechanisms investigations of JWQFY. [ABSTRACT FROM AUTHOR]

Large eddy simulation of rotating channel and ribbed channel flows with and without heat transfer is reported. The rotation axis is parallel to the spanwise direction of the parallel plate channel. An implicit finite-volume scheme was used to solve the preconditioned time-dependent filtered Navier–Stokes equations using a dynamic subgrid-scale model to account for the subgrid-scale effects. The distribution of mean velocity and mean temperature were influenced by system rotation, transforming from a symmetric profile into a non-symmetric profile. The shift of peak values was toward the stable side of the channel.Near the stable (leading) side, the turbulent intensities and heat transfer were suppressed, but turbulence was enhanced with increasing shear stress and turbulent kinetic energy near the unstable (trailing) side. [Copyright &y& Elsevier]

• A modified mass defect filtering strategy with four detailed steps was developed. • The strategy was applied to analysis procyanidins in grape seed extracts with IM-MS. • Collision cross-sections of 769 procyanidin ions were measured at single field. • The trendlines of procyanidin ions were predicted using multi-model regression. • The tendency of collision cross-sections with various factors was discussed. Polymers, widely existing in food or dietary materials, have been attracting researchers, facing challenges, and needing effective strategies on targeted characterization in complex matrixes. A modified data filtering strategy (including locating with drift time and m / z ranges, multiple mass defect filtering, validating MS information, and evaluating MS/MS spectra) was developed and applied for procyanidins in the grape seed extracts (GSE) using drift tube ion mobility-mass spectrometry. The procyanidin ions' trendlines were predicted by multi-model regression. Their collision cross-sections (CCSs) were calculated using single-field methods. Totally, 769 CCSs belonging to 686 procyanidins with polymer degrees at 1–15 were characterized. The exponent regression was the most reasonable model (r 2 ≥ 0.9379) to reveal the trendlines. The change tendency of CCSs with their polymer degrees, charge states, and linkage types were investigated. This study provided an innovative strategy for targeted characterization of polymers in complex matrixes. [ABSTRACT FROM AUTHOR]

Oxidized low density lipoprotein (oxLDL)-induced endothelial oxidative damage promotes the development of atherosclerosis. Caveolae play an essential role in maintaining the survival and function of vascular endothelial cell (VEC). It is reported that the long coiled-coil protein NECC2 is localized in caveolae and is associated with neural cell differentiation and adipocyte formation, but its role in VECs needs to be clarified. Our results showed NECC2 expression increased in the endothelium of plaque-loaded aortas and oxLDL-treated HUVECs. Down-regulation of NECC2 by NECC2 siRNA or compound YF-307 significantly inhibited oxLDL-induced VEC apoptosis and the adhesion factors expression. Remarkably, inhibition of NECC2 expression in the endothelium of apoE−/− mice by adeno-associated virus (AAV)-carrying NECC2 shRNA or compound YF-307 alleviated endothelium injury and restricted atherosclerosis development. The immunoprecipitation results confirmed that NECC2 interacted with Tyk2 and caveolin-1(Cav-1) in VECs, and NECC2 further promoted the phosphorylation of Cav-1 at Tyr14 b y activating Tyk2 phosphorylation. On the other hand, inhibiting NECC2 levels suppressed oxLDL-induced phosphorylation of Cav-1, uptake of oxLDL by VECs, accumulation of intracellular reactive oxygen species and activation of NF-κB. Our findings suggest that NECC2 may contribute to oxLDL-induced VEC injury and atherosclerosis via modulating Cav-1 phosphorylation through Tyk2. This work provides a new concept and drug target for treating atherosclerosis. [Display omitted] • Endothelial NECC2 promotes the development of atherosclerosis. • NECC2 contributes to oxLDL-induced endothelial oxidative damage. • NECC2-induced Cav-1 phosphorylation via Tyk2 promotes oxLDL accumulation in VECs. • Compound YF-307 inhibits endothelial oxidative damage and atherosclerosis. [ABSTRACT FROM AUTHOR]

• Fascaplysin, a natural angiogenesis inhibitor, activated vascular endothelial cell (VEC) autophagy. • Fascaplysin induced VEC autophagy via ROS and p8, an mTOR independent pathway. • Inhibition of VEC autophagy could enhance the cell death and the anti-angiogenesis activity of fascaplysin. Fascaplysin is a natural product isolated from marine sponges that exhibits broad anticancer activity. Previous studies revealed that fascaplysin-induced apoptosis and angiogenesis inhibition in vascular endothelial cells contributed to its anticancer activity. Accumulating evidence indicates that autophagy plays a significant role in mediating the function of vascular endothelial cells (VECs) and the response to cancer therapy. However, the effect of fascaplysin on VEC autophagy and the role of autophagy in fascaplysin-induced vascular endothelial cell apoptosis and angiogenesis inhibition are not clear. The present study found that fascaplysin induced autophagy in vascular endothelial cells. Suppression of autophagy using a pharmacological inhibitor (3-methyladenine) or RNA interference of an essential autophagy gene (ATG5) enhanced the cell death and anti-angiogenesis activity of fascaplysin. We further found that fascaplysin significantly increased p8 protein and reactive oxygen species (ROS) levels and decreased mitochondrial membrane potential but had no effect on the mTOR pathway in VECs. Notably, the ROS scavenger N-acetylcysteine inhibited fascaplysin-induced autophagy and increased p8 protein level. Knockdown of p8 by using RNA interference inhibited the autophagy but increased the level of ROS in VECs. Taken together, these data indicated that fascaplysin activated autophagy as a cytoprotective response via ROS and p8 in VECs. Our findings provided important insight into the response of VECs to fascaplysin and may be useful for improving the anticancer efficacy of fascaplysin. [ABSTRACT FROM AUTHOR]

Ion mobility coupled with mass spectrometry (IM-MS), an emerging technology for analysis of complex matrix, has been facing challenges due to the complexities of chemical structures and original data, as well as low-efficiency and error-proneness of manual operations. In this study, we developed a structural similarity networking assisted collision cross-section prediction interval filtering (SSN-CCSPIF) strategy. We first carried out a structural similarity networking (SSN) based on Tanimoto similarities among Morgan fingerprints to classify the authentic compounds potentially existing in complex matrix. By performing automatic regressive prediction statistics on mass-to-charge ratios (m/z) and collision cross-sections (CCS) with a self-built Python software, we explored the IM-MS feature trendlines, established filtering intervals and filtered potential compounds for each SSN classification. Chemical structures of all filtered compounds were further characterized by interpreting their multidimensional IM-MS data. To evaluate the applicability of SSN-CCSPIF, we selected Ginkgo biloba extract and dripping pills. The SSN-CCSPIF subtracted more background interferences (43.24%∼43.92%) than other similar strategies with conventional ClassyFire criteria (10.71%∼12.13%) or without compound classification (35.73%∼36.63%). Totally, 229 compounds, including eight potential new compounds, were characterized. Among them, seven isomeric pairs were discriminated with the integration of IM-separation. Using SSN-CCSPIF, we can achieve high-efficient analysis of complex IM-MS data and comprehensive chemical profiling of complex matrix to reveal their material basis. [Display omitted] • Multi-molecules were classified by fingerprints-based structural similarity networking (SSN). • A Python software was built for IM-MS feature filtering by CCS prediction interval (CCSPIF). • Each classification of potential compounds was rapidly filtered from IM-MS data of GBE and GBDP. • Totally, 229 compounds were identified by performing SSN-CCSPIF on UHPLC-IM-QTOF MS. • Eight potential new compounds without previous reports were tentatively characterized. [ABSTRACT FROM AUTHOR]

Regorafenib significantly prolongs overall survival in patients with metastatic colorectal cancer (mCRC), but the overall clinical efficacy of regorafenib remains quite limited. Combination chemotherapy is a potentially promising approach to enhance anticancer activity, overcome drug resistance, and improve disease-free and overall survival. The current study investigates the antitumor activity of regorafenib in combination with lapatinib in preclinical models of human CRC. Our results show improved antitumor efficacy when regorafenib is combined with lapatinib both in vitro and in vivo. Furthermore, pharmacokinetic analyses revealed that regorafenib and lapatinib do not influence on each plasma concentration. The finding that regorafenib in combination with lapatinib have synergistic activity warrants further clinical investigation of this beneficial combination as a potential treatment strategy for CRC patients. [ABSTRACT FROM AUTHOR]

[Display omitted] • A series of new formylpiperazine-based ferroptosis inhibitors was designed and synthesized. • These derivatives were evaluated for their effects against Erastin-induced ferroptosis HUVECs. • Compound 26 to have better anti-ferroptosis activity and microsomal stability than Fer-1. • Compound 26 is a promising lead compound for treating ferroptosis-related vascular diseases. In this study, a series of new formylpiperazine-derived ferroptosis inhibitors were designed and synthesized based on the structure of a known ferroptosis inhibitor, ferrostatin-1 (Fer-1). The anti-ferroptosis activity of these synthetic compounds in human umbilical vein endothelial cells (HUVECs) induced by Erastin was evaluated. It was found that some of the new compounds, especially compound 26 , showed potent anti-ferroptosis activity, as evidenced by its ability to restore cell viability, reduce iron accumulation, scavenge reactive oxygen species, maintain mitochondrial membrane potential, increase GSH levels, decrease LPO and MDA content, and upregulate GPX4 expression. Moreover, compound 26 exhibited superior microsomal stability than Fer-1. The present results suggest that compound 26 is a promising lead compound for the development of new ferroptosis inhibitors for the treatment of vascular diseases. [ABSTRACT FROM AUTHOR]

In the present study, the critical role of the meteorological condition in a persistent extreme haze episode that occurred in Guanzhong basin of China on December 16 to 25, 2013 has been investigated. Analyses of the large-scale meteorological conditions on 850 hPa during the episode have been performed using the NCEP FNL data set, indicating that synoptic situations generally facilitate the accumulation of pollutants either in horizontal or vertical directions in the basin. The FLEXPART model has been utilized to illustrate the pollutant transport patterns during the episode, further showing the dominant role of synoptic conditions in accumulation of pollutants in the basin. Detailed meteorological conditions, such as temperature inversion, and low-level horizontal wind speed also contribute to the extreme haze episode. In addition, the WRF-CHEM model has been used to evaluate the responses of the surface PM 2.5 level to the emission mitigation. Generally, the predicted PM 2.5 spatial patterns and temporal variations agree well with the observations at the ambient monitoring sites. Sensitivity studies show that the emissions in the basin need to be mitigated by more than 91% to meet the excellent level of the China National Air Quality Standard under the extremely unfavorable meteorological conditions, demonstrating that it is imperative to implement stringent controls on emissions to improve the air quality. [ABSTRACT FROM AUTHOR]

Abstract: We describe an in situ method for simultaneous measurement of U–Pb–Hf isotopes and trace element compositions of zircons using a quadrupole and multiple-collector inductively-coupled-plasma mass spectrometer (Q-ICP-MS and MC-ICP-MS, respectively) connected to a single excimer laser-ablation system. A laser-generated zircon aerosol was split behind the ablation cell into two transport tubes via a Y-shaped connector and simultaneously introduced into the two mass spectrometers. Hafnium isotopes were measured on the MC-ICP-MS instrument, while U–Pb ages and trace element compositions were determined using the Q-ICP-MS. The precision and accuracy of this method was evaluated using six well-known and widely used zircon standards (91500, Temora-2, GJ-1, Mud Tank, BR266 and Monastery). Analyses were carried out using spot sizes of 32, 44 and 60 μm. For the 44 and 60 μm spot, the resulting U–Pb ages, Hf isotopic and rare earth element (REE) compositions of these six zircons agree with recommended/reported values within 2σ error. The difference in relative standard deviations (RSD) of 206Pb/238U ages between split-flow measurements and those obtained separately on the Q-ICP-MS is within ∼20% for 91500, Temora-2 and GJ-1, and ∼60% for Mud Tank (due to its lower U and Pb concentrations). Our method provides a precise approach for determining the U–Pb age and the Hf isotopic and trace element compositions of zircon within a single ablation event. This is in particular important for analysis of zircons that are small or contain complicated zoning patterns. Finally, the REE composition of zircon BR266 is more homogeneous than other zircons and could be a suitable standard by which to benchmark new standards for microprobe analyses of zircons. [Copyright &y& Elsevier]

Artificial light-harvesting systems were constructed by supramolecular assemblies with different fluorescence intensity of molecular assemblies formed by cyclodextrin-based host-guest complexation between HFD and different cyclodextrins. • An amphiphilic hydroxyflavone derivative (HFD) was designed and synthesized. • HFD can form supramolecular assemblies with CDs. • The fluorescence of HFD can be controlled by different CDs. • Light-harvesting systems can be constructed by molecular assemblies of HFD and HFD with CDs. In the present work, we have designed and synthesized an amphiphilic hydroxyflavone derivative (HFD) with a hydrophilic side chain, which can self-assembly into spherical aggregates with the diameter at about 100 nm in aqueous solution. Meanwhile, HFD can interact with cyclodextrins (CDs) with different cavity sizes through host-guest interaction, which also exhibited different fluorescence intensity in aqueous solution. α-CD has no obvious effect on the fluorescence and self-assembled structures because the cavity of α-CD is too small to encapsulate HFD into its cavity. However, β-CD and γ-CD can form 1: 1 and 1: 2 complexes with HFD in aqueous solution, which lead to enhanced and reduced fluorescence intensity of HFD , respectively. Moreover, after addition of β-CD and γ-CD, HFD can self-assembly into aggregated nanoparticles and spherical aggregates with the diameter at about 200 nm, respectively. More interestingly, artificial light-harvesting systems can be constructed by using HFD and HFD with CDs as energy donors with gradual addition of sulfo-cyanine5 carboxylic acid (Cy5) as energy acceptors in aqueous solution. [ABSTRACT FROM AUTHOR]

• Database was built for 492 known compounds in 169 literatures of "Huangqi-Danshen". • A high-efficient MS1 feature filtering software was built by python programming. • The software realized rapid m/z calculating and matching to assist database searching. • Molecular networking was integrated to supplement unknown compounds. • A total of 223 compounds were identified in "Huangqi-Danshen" by LC-QTOF MS. Liquid chromatography-tandem with high-resolution mass spectrometry (LC HRMS) has proven challenging for annotating multiple small molecules within complex matrices due to the complexities of chemical structure and raw LC HRMS data, as well as limitations in previous literatures and reference spectra related to those molecules. In this study, we developed a molecular networking assisted automatic database screening (MN/auto-DBS) strategy to examine the combined effect of MS1 exact mass screening and MS2 similarity analysis. We compiled all previously reported compounds from the relevant literatures. With the development of a Python software, the in-house database (DB) was created by automatically calculating the m/z and data from experimental MS1 hits were rapid screened with DB. We then performed a feature-based molecular network analysis on the auto-MS2 data for supplementary identification of unreported compounds, including clustered FBMN and annotated GNPS compounds. Finally, the results from both strategies were merged and manually curated for correct structural assignment. To demonstrate the applicability of MN/auto-DBS, we selected the Huangqi-Danshen herb pair (HD), commonly used in prescriptions or patent medicines to treat diabetic nephropathy and cerebrovascular disease. A total of 223 compounds were annotated, including 65 molecules not previously reported in HD, such as aromatic polyketides, coumarins, and diarylheptanoids. Using MN/auto-DBS, we can profile and mine a wide range of complex matrices for potentially new compounds. [ABSTRACT FROM AUTHOR]

[Display omitted] One effective strategy for treating atherosclerosis is to inhibit the injury of vascular endothelial cells (VECs) induced by oxidized low-density lipoprotein (oxLDL) and high glucose (HG). This study synthesized and evaluated a series of novel Nrf2 activators derived from the marine natural product phidianidine for their ability to protect human umbilical VECs against oxLDL- and HG-induced injury. The results of in vitro bioassays demonstrated that compound D-36 was the most promising Nrf2 activator, effectively inhibiting the apoptosis of HUVECs induced by oxLDL and HG. Furthermore, Nrf2 knockdown experiments confirmed that compound D-36 protected against oxLDL- and HG-induced apoptosis in HUVECs by activating the Nrf2 pathway. These findings provide important insights into a new chemotype of marine-derived Nrf2 activators that could potentially be optimized to develop effective anti-atherosclerosis agents. [ABSTRACT FROM AUTHOR]

Protein arginine methyltransferase 5 (PRMT5) is an epigenetics related enzyme that has been validated as an important therapeutic target for treating various types of cancer. Upregulation of tumor suppressor hnRNP E1 has also been considered as an effective antitumor therapy. In this study, a series of tetrahydroisoquinolineindole hybrids were designed and prepared, and compounds 3m and 3s4 were found to be selective inhibitors of PRMT5 and upregulators of hnRNP E1. Molecular docking studies indicated that compounds 3m occupied the substrate site of PRMT5 and formed essential interactions with amino acid residues. Furthermore, compounds 3m and 3s4 exerted antiproliferative effects against A549 cells by inducing apoptosis and inhibiting cell migration. Importantly, silencing of hnRNP E1 eliminated the antitumor effect of 3m and 3s4 on the apoptosis and migration in A549 cells, suggesting a regulatory relationship between PRMT5 and hnRNP E1. Additionally, compound 3m exhibited high metabolic stability on human liver microsomes (T 1/2 = 132.4 min). In SD rats, the bioavailability of 3m was 31.4%, and its PK profiles showed satisfactory AUC and C max values compared to the positive control. These results suggest that compound 3m is the first class of dual PRMT5 inhibitor and hnRNP E1 upregulator that deserves further investigation as a potential anticancer agent. [Display omitted] • Tetrahydroisoquinolineindoles were screened as PRMT5 inhibitors/hnRNP E1 promoters. • Some compounds exhibited significant antitumor activities. • Compounds 3m and 3s4 significant up-regulate hnRNP E1 protein level. • The study firstly indicates the regulatory relationship between PRMT5 and hnRNP E1. • Compound 3m was observed a 31.4% F and quite satisfying T 1/2 , AUC and Cmax values. [ABSTRACT FROM AUTHOR]

Abstract In this work, we report a simple strategy by mixing a coumarin appended tetraphenylethylene derivative (TPEC) and γ-cydodextrin(γ-CD) in aqueous solution, based on the host-guest interaction between TPEC and γ-CD to construct a dual-modality supramolecular hyperbranched polymer. The host-guest interaction between γ-CD and TPEC efficiently restricted the intramolecular rotation and the non-radiative relaxation channel, minimizing energy loss, thereby resulting in the strong emission of TPEC in dilute solution. Moreover, we achieved the conversion between non-covalent supramolecular hyperbranched polymers and its corresponding covalent supramolecular hyperbranched polymers under the irradiation of UV light, which can be reversibly controlled through the irradiation at the wavelengths of 254 nm and 365 nm. Furthermore, both non-covalent supramolecular hyperbranched polymers and covalent supramolecular hyperbranched polymers can self-assemble into spherical structures. This methodology provides a new idea for exploring a new type of supramolecular hyperbranched polymers with aggregation-induced emission. Graphical abstract We have prepared a dual-modality supramolecular polymer with aggregation-induced emission in aqueous solution by taking advantage of host−guest interactions between γ-CD and coumarin moieties. Image 1 Highlights • Supramolecular polymers were constructed through host-guest interactions between γ-CD and coumarin. • Supramolecular polymers exhibited aggregation-induced emission. • Non-covalent and covalent supramolecular polymers can be reversibly controlled through the irradiation of UV light. • Supramolecular polymers self-assembled into spherical structures. [ABSTRACT FROM AUTHOR]

Abstract In this work, we have designed and synthesized a bolaamphiphile of salicylaldehyde azine (BSA), which can form [2]pseudorotaxane with γ-cyclodextrin (BSA@γ-CD) in aqueous solution and exhibit remarkable enhancement of the fluorescence emission. Both BSA and BSA@γ-CD assembly can spontaneously form spherical aggregates in aqueous solution with diameter at about 30 nm and 20 nm, respectively. By using BSA and BSA@γ-CD as energy donor and sulforhodamine 101 (SR101) as energy acceptor, we fabricated two artificial light-harvesting systems in aqueous solution. Significantly, an efficient energy transfer process was revealed to occur between the BSA or BSA@γ-CD assembly and the loaded SR101 to obtain high energy transfer efficiency and antenna effect. More importantly, energy transfer efficiency and antenna effect can be greatly improved in these two systems only just by addition of γ-CD. Graphical abstract Two artificial light-harvesting systems based on a bolaamphiphile of salicylaldehyde azine moiety with γ-cyclodextrin and sulforhodamine 101 were fabricated in aqueous solution. Image 1 Highlights • Two artificial light-harvesting systems in aqueous solution are fabricated. • Sulforhodamine 101 is used as energy acceptor. • An efficient energy transfer process is revealed between energy donor and acceptor. • Energy transfer efficiency can be improved by the formation of [2]pseudorotaxane. [ABSTRACT FROM AUTHOR]

Local buckling of submarine pipelines is unavoidable under extreme conditions and it can propagate along the pipeline. Thus, arrestors are installed in a periodic placement along the pipeline to limit the extent of catastrophic collapse between two adjacent arrestors. Generally, the integral buckle arrestors are crossed by two modes: the flattening mode and the flipping mode. This paper focuses on the cross-over mechanisms of arrestors by analyzing results from experiments and numerical simulations. Fifteen groups of full-scale and reduced-scale physical experiments are conducted to investigate the effect of local ovality of the downstream pipes on the arrestor performance. Furthermore, an extensive parametric study of cross-over modes of arrestors is performed by FE models to supplement the experimental results. It is found that the local ovality of the downstream pipes impacts the cross-over modes of integral buckle arrestors, which is more likely to deform by ovalization in the same sense as the local ovality. On the other hand, a new formula involving the major geometric and material characteristics of pipes and arrestors is proposed to estimate the flattening mode and the flipping mode of arrestors when the downstream pipes are intact. And the switch point of the two cross-over modes is 0.265. [ABSTRACT FROM AUTHOR]

Ketoconazole is a hydrophobic broad-spectrum antifungal agent for skin infection therapy. In order to develop topical formulation of ketoconazole for improving its selective skin deposition and water-solubility, ketoconazole-loaded Y-shaped monomethoxy poly(ethylene glycol)-block-poly(ɛ-caprolactone) micelles were prepared through thin-film hydration method with high entrapment efficiency (96.1 ± 0.76%) and small particle (about 58.66 nm). The drug-loaded micelles showed comparative in vitro antimicrobial activity with KET cream. In e x in vivo skin deposition and permeation study, ketoconazole-loaded micelles provided skin accumulation higher than marketed ketoconazole cream without obvious permeation in the whole period. Fluorescence microscopy study and histopathological study demonstrated the copolymeric micelles' penetrating into skin in depth due to its capability of weakening the barrier function of stratum corneum. In vivo skin deposition parameters further confirmed high skin deposition of drug-loaded micelles (AUC (0-t) = 396.16 μg·h/cm 2 ) over marketed ketoconazole cream (AUC (0-t) = 250.03 μg·h/cm 2 ). Meanwhile, in vivo pharmacokinetic parameters proved that ketoconazole-loaded micelles reduced ketoconazole's distribution in blood in comparison with the cream (AUC (0-t) = 93,028.00 μg·h/L vs AUC (0-t) = 151,714.00 μg·h/L), meaning lower possibility of its systemic unwanted effects in the skin fungal infection treatment. The results suggested that the copolymeric micelles can be adopted for specific delivering ketoconazole into skin for fungal infection cure. [ABSTRACT FROM AUTHOR]

Urbanization and industrialization in the recent 30 years have caused frequent heavy haze pollution in the Guanzhong basin, China during wintertime. Based on the categorized large-scale synoptic situations, the local circulation and its impact on the air pollution in the basin have been investigated using observational data analyses and model simulations with the WRF-CHEM model. The simulated mountain-valley breeze circulations are well established under most of the large-scale synoptic situations in the south-north direction. The downward mountain-breeze not only causes the convergence zone in the basin but also tends to bring the pollutants back from the mountain areas to the basin and enhance pollutants concentrations in the evening. The intensity of the mountain-valley breeze circulations may be different under different synoptic situations, but in general, aside emissions, every pollution event is the synthetic result of the synoptic situation at the large scale and the local circulation at the small scale in the Guanzhong basin. [ABSTRACT FROM AUTHOR]

Chemotherapeutic multidrug resistance (MDR) is a significant challenge to overcome in clinic practice. Several mechanisms contribute to MDR, one of which is the augmented drug efflux induced by the upregulation of ABCB1 in cancer cells. Regorafenib, a multikinase inhibitor targeting the RAS/RAF/MEK/ERK pathway, was approved by the FDA to treat metastatic colorectal cancer and gastrointestinal stromal tumors. We investigated whether and how regorafenib overcame MDR mediated by ABCB1. The results showed that regorafenib reversed the ABCB1-mediated MDR and increased the accumulation of [3H]-paclitaxel in ABCB1-overexpressing cells by suppressing efflux activity of ABCB1, but not altering expression level and localization of ABCB1. Regorafenib inhibited ATPase activity of ABCB1. In mice bearing resistant colorectal tumors, regorafenib raised the intratumoral concentration of paclitaxel and suppressed the growth of resistant colorectal tumors. But regorafenib did not induce cardiotoxicity/myelosuppression of paclitaxel in mice. Strategy to reposition one FDA-approved anticancer drug regorafenib to overcome the resistance of another FDA-approved, widely used chemotherapeutic paclitaxel, may be a promising direction for the field of adjuvant chemotherapy. This study provides clinical rationale for combination of conventional chemotherapy and targeted anticancer agents. [ABSTRACT FROM AUTHOR]

This study aimed to investigate the role of lncRNA NR2F2-AS1 in oral squamous cell carcinoma cells (OSCC). The TCGA datasets were used to explore the differential expression of NR2F2-AS1 in OSCC. To further explore the potential interaction between NR2F2-AS1 and miR-494, SCC090 cells were transfected with the NR2F2-AS1 expression vector, NR2F2-AS1 siRNA, and a miR-494 mimic. The effect of NR2F2-AS1 on miR-494 methylation was evaluated by performing methylation-specific PCR (MSP). Cell Counting Kit-8 (CCK-8) assay was used to assess the effects of NR2F2-AS1 silencing and miR-494 and NR2F2-AS1 overexpression on OSCC cell proliferation. NR2F2-AS1 expression was downregulated in OSCC and positively correlated with miR-494 expression. In OSCC cells, NR2F2-AS1 overexpression upregulated miR-494 level, while NR2F2-AS1 silencing decreased miR-494 expression. MSP results showed that NR2F2-AS1 overexpression decreased miR-494 methylation while NR2F2-AS1 silencing increased miR-494 methylation. In addition, NR2F2-AS1 silencing increased OSCC cell proliferation rate while overexpression of miR-494 and NR2F2-AS1 decreased OSCC cell proliferation. Furthermore, miR-494 overexpression attenuated the effects of NR2F2-AS1 silencing on cell proliferation. NR2F2-AS1 may inhibit miR-494 methylation to regulate cell proliferation in OSCC. The analyzed data sets generated during the study are available from the corresponding author upon reasonable request. • NR2F2-AS1 was lowly expressed in OSCC and positively correlated with miR-494. • NR2F2-AS1 overexpression upregulated miR-494 via methylation. • R2F2-AS1 positively regulated miR-494 expression to decrease OSCC cell proliferation. [ABSTRACT FROM AUTHOR]

Abstract: The E-W trending Nanling Range, located in the southern part of the South China Block (SCB), is characterized by widespread intra-continental Mesozoic granitoids and accompanying W–Sn polymetallic ore deposits. Detailed studies are presented on trace elements, U–Pb ages and Lu–Hf isotopes in zircons from the Mesozoic A2-type like granitoids (including the Qianlishan, Qitianling, Xianghualing, Huashan, Guposhan, Niumiao, Tong''an, Jinziling and Jinjiling Plutons) from the western Nanling Range. LA–ICP–MS U–Pb analyses of zircon indicate that these granites intruded mainly from ca 160–150Ma. Two types of zircon (magmatic and late-magmatic hydrothermal) with similar ages can be distinguished based on their zircon trace element compositions. The late-magmatic hydrothermal zircons have high contents of metallogenic elements (e.g., W and Sn) and may be closely related with the ore deposits. The εHf(t) values of zircons from the Mesozoic granitoids are mildly negative to positive, indicating the reworking of both old and young crustal components. The significant involvement of Mesozoic juvenile mantle-derived materials in the source can be excluded because of the rare occurrences of mafic rocks with radiogenic isotopic signatures in the area. The average crustal residence age patterns of the Mesozoic granites in the western Nanling Range are similar to those of the Neoproterozoic magmatic rocks in the eastern part of the Jiangnan orogen, which may represent the Neoproterozoic collisional belt between the Yangtze and Cathaysia blocks. Considering the specific isotopic and metallogenic features of the Mesozoic granitoids in the study area, we propose that the western Nanling Range may represent a western extension of Neoproterozoic arc–continent collisional belt in South China. The Mesozoic granitoids of this area may have been generated mainly by reworking of deeply-buried Neoproterozoic arc-related volcanic-sedimentary materials due to thermal perturbations triggered by the subduction of the Paleo-Pacific Plate in Mesozoic time. [Copyright &y& Elsevier]

Abstract: Many studies have addressed the Paleozoic to Triassic collisional processes along the southern margins of the North China Craton (NCC), but little is known about the evolution of this margin during Precambrian time. This paper examines the geochronology and geochemistry of gabbros from the Luanchuan Group, which is located on the southern margin of the NCC. These gabbros are dated at ca 830Ma by SHRIMP and LA–ICP-MS zircon U–Pb methods. They are characterized by high contents of TiO2 (2.21–4.45wt%) and light-REEs (rare earth elements) ((La/Yb) N =9.54–7.71). The gabbros have overall OIB (ocean island basalts)-like trace element patterns, without the positive Pb and Sr anomalies and negative Nb–Ta anomalies. In addition, they have low La/Nb (<1.5) and La/Ta (<30) ratios, indicating an origin in the asthenospheric mantle. The depletions of HFSEs (high field strength elements) (e.g. Zr–Hf and Ti) probably suggest that their source has been metasomatized by carbonates. The gabbros show negative ɛ Nd(t) (−1.5 to −3.0), suggesting crustal contamination or mixing with metasomatized lithospheric mantle. However, the low Th and U contents, constant incompatible-element ratios (e.g. Zr/Nb, La/Nb, La/Sm) and the absences of correlations of ɛ Nd(t) with MgO, Nb/Nb*, SiO2 or 1/Nd preclude significant crustal contamination. Alternatively, the wide range of Hf–isotope ratios in zircons (ɛ Hf(t) from −3.6 to +6.3) may imply the interaction between asthenosphere-derived melts and the metasomatized lithospheric mantle. Petrological modeling suggests that the gabbros may have been generated from the low-degree (2–3%) partial melting of lherzolite with 2% garnet at depths greater than 85km. The gabbros may have been generated in a within-plate rift setting. The gabbros may best be correlated with the Neoproterozoic magmatic rocks in the NQB (North Qinling Belt), representing the relicts onto the southern margin of the NCC following the Neoproterozoic rifting between the NCC and the NQB. Therefore, the NCC and NQB may have been connected at ca 830Ma. Moreover, the occurrence of the gabbros implies that the present southern margin of the NCC may have been mixed with late Mesoproterozoic to Neoproterozoic crustal materials from the NQB. The new findings imply that the southern margin of the NCC has been the locus of at least three extension-convergence cycles, and the reactivation of such tectonic margins may be more common in the geological record than previously recognized. [Copyright &y& Elsevier]

Abstract: In this study, we employ a sectional power-law (SPL) correction that provides accurate and precise measurements of 176Lu/175Lu ratios in geological samples using multiple collector-inductively coupled plasma-mass spectrometry (MC-ICP-MS). Three independent power laws were adopted based on the 176Lu/176Yb ratios of samples measured after chemical chromatography. Using isotope dilution (ID) techniques and the SPL correction method, the measured lutetium contents of United States Geological Survey rock standards (BHVO-1, BHVO-2, BCR-2, AGV-1, and G-2) agree well with the recommended values. Results obtained by conventional ICP-MS and INAA are generally higher than those obtained by ID-TIMS and ID-MC-ICP-MS; this discrepancy probably reflects oxide interference and inaccurate corrections. [Copyright &y& Elsevier]

Abstract: A series of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide derivatives were synthesized, and the effects of all the compounds on A549 cell growth were investigated. The results showed that all the nine compounds had inhibitory effects on the growth of A549 cells and induced the cell apoptosis. The study on structure–activity relationships and prediction of lipophilicities of compounds showed that compounds with log P values in the range of 3.12–4.94 had more inhibitory effects on the growth of A549 cells. [Copyright &y& Elsevier]

The supramolecular hyperbranched polymers have been constructed through host–guest interaction between TTFB and CB[8], which can self-assembly into spherical structures and form charge transfer complexes with TCNQ. • Supramolecular polymers were constructed based on TTF derivative and CB[8]. • Supramolecular polymers self-assembled into spherical aggregates. • Supramolecular polymers can form charge transfer complexes with TCNQ. • The charge transfer complexes self-assembled into crosslinked nanoparticles. In the present work, a four naphthyl-armed tetrathiafulvalene derivative (TTFB) was designed and synthesized through one-step reaction. Based on the host–guest interaction between naphthyl and cucurbit[8]uril (CB[8]), supramolecular hyperbranched polymers (SHPs) can be constructed in water, depending on hydrogen nuclear magnetic resonance (1H NMR) spectra, UV–vis absorption spectroscopy and diffusion-ordered NMR spectroscopy (DOSY). The self-assembly properties of the SHPs were further investigated by zeta potential analyzer, dynamic laser light scattering (DLS) and transmission electron microscopy (TEM) measurements, which exhibited positively charged spherical structures with the diameter at ~120 nm. More interestingly, the SHPs can interact with TCNQ (7,7,8,8-tetracyanoquinodimethane) to form charge transfer complexes through charge transfer interaction. Meanwhile, the self-assembly structures can be transformed from spherical structures to crosslinked nanoparticles in the charge transfer complexes state. [ABSTRACT FROM AUTHOR]

Artificial light-harvesting systems were constructed by supramolecular assemblies with different morphology formed by cucurbit[n]urils-based host-guest complexation. • An amphiphilic anthracene compound (AP) was designed and synthesized. • AP can self-assemble into nanoparticles in water. • AP can form supramolecular assemblies with CB7 and CB8. • Light-harvesting systems can be constructed by the as-prepared assemblies. In the present work, we have designed and synthesized an amphiphilic pyridinium-functionalized anthracene (AP) compound, which can self-assemble into nanoparticles in aqueous solution. Moreover, AP can form AP-CB7 and AP-CB8 complexes with cucurbit[7]uril (CB7) and cucurbit[8]uril (CB8) through host-guest interactions in aqueous solution, in which the pyridinium moiety or the pyridinium and anthracene moieties were encapsulated into the cavity of CB7 or CB8. AP-CB7 and AP-CB8 can further self-assemble into nanospheres and nanorods, respectively. More interestingly, three light-harvesting systems were constructed in aqueous solution by using the positively charged supramolecular assemblies of AP, AP-CB7, and AP-CB8 as an energy donor and a negatively charged fluorescent dye Eosin Y disodium salt (EY) as an energy acceptor, in which three different energy donors based on different supramolecular assemblies with various structures exhibited entirely distinguishing energy transfer performance. The energy transfer efficiency and antenna effect are 17.8% and 10.3 for AP, 19.2% and 17.6 for AP-CB7, 22.3% and 15.1 for AP-CB8 after addition of the energy acceptor EY at a donor/acceptor ratio of 100:1, respectively. [ABSTRACT FROM AUTHOR]

• A series of cinnamic acid-pregenolone hybrids was designed, synthesized and evaluated for in vitro antiproliferative activity. • Compound 5f showed the antiproliferative activity against A549 via G1 cell cycle arrest and inducing apoptosis. • Compound 5f could stimulate A549 cells apoptosis through down-regulation of Bcl-2 and up-regulation of Bax. A series of new cinnamic acid-pregenolone hybrids (5a-5o) was designed, synthesized and evaluated for their in vitro antiproliferative activity. Some of them showed potential antiproliferative activity and selectivity towards a panel of cancer cell lines, including A549, H157, HepG2, MCF-7, and HL-60. Among these analogs, compound 5f showed the most promising activity with IC 50 values ranging from 3.2 to 6.8 μM, and it was taken as a model compound in the following antiproliferative mechanism study. In Hoechst 33258 staining assay, 5f -treated A549 cells displayed significant apoptosis characteristics. Flow cytometry analysis revealed that 5f showed the antiproliferative activity against A549 via G1 cell cycle arrest and inducing apoptosis. Western blotting analysis demonstrated that 5f enhanced apoptosis of A549 cells by down-regulating Bcl-2 and up-regulating Bax protein expression. The present study highlighted this series of cinnamic acid-pregenolone hybrids as a new antiproliferative lead prototype. [ABSTRACT FROM AUTHOR]