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Over the past decades, zinc oxide semiconductor and its derivatives have been extensively developed because of its optoelectronic properties. Since ZnO is an intrinsic n-type semiconductor, how to synthesize high-quality p-type ZnO semiconductors and investigate their optoelectronic properties and local chemical structures are important and necessary. In this article, two studies of synthesizing both undoped and phosphorus-doped ZnO nanostructures by hydrothermal method and chemical vapor deposition (CVD) technique are presented. Scanning electron microscopy (SEM) and laboratory X-ray diffraction (XRD) are used to track the surface morphology and the crystalline structure of both undoped and phosphorus doped ZnO nanostructures, respectively. X-ray absorption near edge structures (XANES), X-ray emission spectroscopy (XES) and X-ray excited optical luminescence (XEOL) are also used to determine the local chemical information of both undoped and phosphorus-doped ZnO nano/microstructures such as local symmetry and optical properties. It is found that the phosphorus is successfully doped into the surface of ZnO and substituted the Zn. The phosphorus-doped ZnO products have better crystallinity and less oxygen vacancies on the surface. These two are correlated as one leads to the other. The XEOL results suggest that the average bandgap for undoped and phosphorus doped ZnO is the same, 3.24 eV. The second derivative of the absorption-emission spectra yields the fundamental bandgap for undoped ZnO and phosphorus-doped ZnO is 3.25 eV. The implication of this observation is discussed. [ABSTRACT FROM AUTHOR]

The central network architecture takes the information content as the processing object and can better meet the user access needs. However, the traditional network node load balancing and caching strategy has been difficult to adapt to the development of the central network architecture. Therefore, this article proposed a load balancing and cache management strategy based on the central network in order to provide a reference for the architecture and application of the central network. Based on the analysis of the existing network architecture, this article expounded the networking form and characteristics of the central network system. By analyzing the load scheduling requirements of network nodes, combined with the transmission characteristics of resource requests in the central network, a cache node load balancing method suitable for the requirements of the central network was proposed based on the existing load balancing algorithms. In addition, by analyzing the cache management strategy and its impact on the performance of the network system, a cache node information forwarding model with resource requests as the object in the central network environment was given. Finally, through experimental test and comparative analysis, the results showed that the method proposed in this article had certain feasibility and effectiveness. Compared with other typical strategies, the load balancing and caching strategy proposed in this article can better meet the user needs of the central network. [ABSTRACT FROM AUTHOR]

On May 5, 2014, an earthquake with a magnitude of Mw 6.1 (the largest earthquake in Thailand so far) occurred in Chiang Rai of the Golden Triangle area in northern Thailand. We had an opportunity to conduct field survey immediately after the earthquake. Serious damage to buildings and casualties of lives were observed, and the estimated Maximum Mercalli Intensity (MMI) of the earthquake is VIII (evaluated according to the MMI scale of the Chinese Standard). No long continuous ground ruptures were produced during the earthquake, but in the epicenter (commonly within MMI VIII extent), massive small linear ruptures (usually several tens of meters long) developed and displayed intriguing structural features, offsetting many roads several centimeters left laterally on NE trending cracks or offsetting right laterally on NW trending ones. The focal mechanism solution of earthquake shows that this is a pure strike‐slip event, and two nodal planes in NW and NE directions had the same motion senses respectively as those of breakage associated with the earthquake. The long axis of the isoseismals and aftershock distributions are in NE direction, which is consistent with the strike of Luang Namtha fault. The 230‐km‐long Luang Namtha fault which starts from the border of China and Laos, runs through northern Laos, and terminates at Chiang Rai of Thailand is predominated by left‐lateral strike‐slip and active in late Quaternary, and two earthquakes over Ms 6.0 occurred along the fault in 1925 and 2007 respectively. This Mw 6.1 earthquake occurred at the southwestern end of the fault. All related features such as evident structural rupturing, elongated orientation of MMI and aftershock distribution, as well as the location of the epicenter, suggest that the Luang Namtha fault may be responsible for the 2014 Northern Thailand earthquake. [ABSTRACT FROM AUTHOR]

Sumalarins D–G (1 – 4), four previously undescribed curvularin derivatives, along with two known related metabolites, curvularin (5) and dehydrocurvularin (6), were isolated and identified from the mangrove-derived fungus Penicillium sumatrense MA-325. Among them, sumalarin D (1) represents a unique example of curvularin derivative featuring a 5-methylfuran-2-yl-methyl group. Their structures were elucidated based on analysis of NMR and MS data as well as comparison of ECD spectra and quantum chemical calculations of NMR, and compound 1 was confirmed by X-ray crystallographic analysis. Compounds 1 , 2 , 5 , and 6 are active against aquatic pathogenic bacteria Vibrio alginolyticus and V. harveyi with MIC values ranging from 4 to 64 μ g/mL, while compound 6 is cytotoxic against tumor cell lines 5673, HCT 116, 786-O, and Hela with IC 50 values of 3.5, 10.6, 10.9, and 14.9 μ M, respectively. Sumalarin D (1), the first curvularin featuring a unique 5-methylfuran-2-yl-methyl group at C-4, along with three curvularin congeners, were identified from the mangrove-derived Penicillium sumatrense MA-325. [Display omitted] • Four previously undescribed curvularins were isolated from mangrove-derived Penicillium sumatrense. • Sumalarin D (1) is the first curvularin featuring a unique 5-methylfuran-2-yl-methyl group at C-4. • ECD and DP4+ calculation and X-ray diffraction were used for structure determination. • Dehydrocurvularin (6) exhibited potent cytotoxic activities against a panel of tumor cell lines. [ABSTRACT FROM AUTHOR]

While screening for natural product scaffolds as potential anti‐Alzheimer's disease (AD), oxymatrine (OMT) was found to relieve symptoms of AD through diminishing death of neuronal cells caused by microglia‐induced inflammation. In this study, 13 derivatives of OMT were synthesized and their neuroprotective effects were evaluated on Aβ1‐42‐induced PC12 cells using MTT method. In addition, the best neuroprotective potencies were obtained with compounds 4, 6e, and 6f, which were selected for evaluation of decrease in IL‐1β and TNF‐α in Aβ1‐42‐treated PC12 cells. Collectively, these data reveal that derivatives 6e and 6f possess the best ability of diminish IL‐1β production and reverse cell damage in all compounds, which are possible to develop as therapeutic agents for AD. [ABSTRACT FROM AUTHOR]

With the increase of the long-span bridge, the damage of the long-span bridge hanger has attracted more and more attention. Nowadays, the probability statistics method based on Bayes' theorem is widely used for evaluating the damage of bridge, that is, Bayesian inference. In this study, the damage evaluation model of bridge hanger is established based on Bayesian inference. For the damage evaluation model, the analytical expressions for calculating the weights by finite mixture (FM) method are derived. In order to solve the complex analytical expressions in damage evaluation model, the Metropolis-Hastings (MH) sampling of Markov chain Monte Carlo (MCMC) method was used. Three case studies are adopted to demonstrate the effect of the initial value and the applicability of the proposed model. The result suggests that the proposed model can evaluate the damage of the bridge hanger. [ABSTRACT FROM AUTHOR]

Metal lenticular gaskets have been widely applied in the bolt flange joints of high and ultrahigh pressure pipelines due to their semi-self-tightening sealing properties. However, research on the leakage prediction of the metal lenticular gaskets is still lacking, which limits their further optimal design and sealing performance improvement. In this paper, an elastoplastic contact mechanics analysis of a metal lenticular gasket used in the bolted flange joint of ultra-high pressure polyethylene pipelines was firstly carried out. The analytical formulas of contact stress and contact width were derived and compared with corresponding numerical results. Then, based on the surface topography measurement, a leakage model was established, in which the pipe surface was simplified to a smooth rigid flat surface, and the gasket surface was simplified to an equivalent rough surface composed of identical wedges. Finally, an analytical leakage prediction formula for the metal lenticular gasket was proposed. In addition, the effects of influence factors on leakage rate were discussed. It is shown that the analytical formulas can accurately calculate the contact stress and contact width in elastoplastic contact. The leakage rate increases with the decrease of the bolt load and the increase of internal pressure. For the ultrahigh pressure pipeline with internal pressure of 200 MPa, the minimum bolt load should be ensured to be higher than 120 kN in order to meet the T5 tightness level. In addition, the initial contact diameter is basically proportional to the leakage rate, while the change of gasket inclination angle has little effect on the leakage rate. Therefore, the contact diameter can be designed to be as small as possible within a reasonable range. This work can provide a theoretical basis for the sealing optimal design of metal lenticular gaskets. • An elastoplastic contact mechanics analysis of lenticular gasket used in ultra-high pressure (UHP) seal was carried out. • The theoretical formulas of contact stress and contact width were derived and verified by numerical simulations. • A leakage prediction formula of the UHP gaskets associated with contact mechanics and gasket parameters was derived. • The factors affecting leakage rates are discussed, which provided a theoretical basis for research of UHP seal. [ABSTRACT FROM AUTHOR]

Turbulent Rayleigh-Bénard convection in a square cavity with rough horizontal walls is investigated at a fixed Prandtl number Pr = 0.7 over the Rayleigh number range of 106 ≤ Ra ≤ 109. We have proposed five models with rough elements of the same height but different spatial distributions to evaluate their influences on the heat transport and flow structures of the system. It is found that the flow reversal can be promoted at a Rayleigh number around 107. In all the rough models, the heat transfer is impeded at a low Ra and enhanced at a Rayleigh number beyond a critical value. Interestingly, the heat transfer and flow structure can be clustered by the sparsity of the rough element distribution. Different scaling exponents for heat transfer are identified for sparsely distributed rough models and compactly distributed models. On the other hand, the spatial distribution of rough elements has little effect on the scaling of the Reynolds number. [ABSTRACT FROM AUTHOR]

Lanthanide coordination polymers have been successfully assembled by Ln3+ ions and asymmetric carboxylic acid ligand under solvothermal conditions. The structure analysis display that complexes 1 – 3 are isostructural three-dimensional (3D) supramolecular network. Furthermore, luminescence properties of complexes 1 – 4 have been measured in the solid state at room temperature. Complex 2 exhibits a strong red luminescence upon excitation at 283 nm and its lifetimes is 33.554 ns. In addition, magnetic studies reveal that complex 1 has a weak antiferromagnetic interaction. Lanthanide coordination polymers (Ln-CPs) {[Ln(H L) 2 (H 2 O) 3 ]·(H 2 O) 4 ·Cl} n (Ln = Dy, 1 ; Eu, 2 ; Sm, 3) and [Ln 0.18 (H L) 0.18 (CH 3 COO) 0.36 (H 2 O) 0.54 ] n (Ln = La, 4 ; H 2 L = 2-(hydroxymethyl)-1 H -benzo[ d ]imidazole-5-carboxylic acid) have been successfully assembled by Ln3+ ions and asymmetric carboxylic acid ligand under solvothermal conditions. The structures of the complexes 1 – 4 were determined by single crystal X-ray diffraction and further characterized by elemental analyses, IR spectroscopy, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The structure analysis display that complexes 1 – 3 are isostructural three-dimensional (3D) supramolecular network. Complexes 1 – 4 were constructed by hydrogen bonding interactions between the coordinated water molecules and the O atoms of the hydroxy group or free chloride ions. Furthermore, luminescence properties of complexes 1 – 4 have been measured in the solid state at room temperature. Complex 2 exhibits a strong red luminescence upon excitation at 283 nm and its lifetimes is 33.554 ns. In addition, magnetic studies reveal that complex 1 has a weak antiferromagnetic interaction. [ABSTRACT FROM AUTHOR]

A new three-term Hestenes–Stiefel-type conjugate gradient method is proposed in which the search direction can satisfy the sufficient descent condition as well as an adaptive conjugacy condition. It is notable that search directions of the method are dynamically adjusted between that of the Newton method and the 3HS+ method, accelerating the convergence or reducing the condition number of iteration matrix. Under mild conditions, we show that the proposed method converges globally for general objective functions. Numerical experiments indicate that the method is practically promising. [ABSTRACT FROM AUTHOR]

Abstract Six new coordination polymers(CPs) {[Cd(L 1 )(CHDA)]·H 2 O} n (1), [Zn 3 (L 1 ) 2 (1,2,4-BTC) 2 (H 2 O) 4 ] n (2), [Zn(L 2 )(D-CAM)(H 2 O)] n (3), [Zn 3 (L 2 )(1,2,4-BTC) 2 (H 2 O) 4 ] n (4), [Cd(L 2 )(1,3,5-HBTC)] n (5) and {[Zn(L 2 )(4,4´-BOA)]·H 2 O} n (6) (L 1 = 3,6-bis(imidazol-1-yl)pyridazine, L 2 = 3,6-bis(benzimidazol-1-yl)pyridazine, 1,4-H 2 CHDA = (1 S ,4 S)-cyclohexane-1,4-dicarboxylic acid, 1,2,4-H 3 BTC = benzene-1,2,4-tricarboxylic acid, D-CAM = (1 R ,3 S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid, 1,3,5-H 3 BTC = benzene-1,3,5-tricarboxylic acid, 4,4´-H 2 OBA = 4,4´-oxydibenzoic acid) were achieved by reactions of the corresponding metal salt with mixed organic ligands. Their structures were determined by single-crystal X-ray diffraction, IR spectra, elemental analysis, powder X-ray diffraction and thermogravimetric analysis. They exhibit varied structures, complexes 4 and 5 are porous three-dimensional (3D) frameworks, while 2 and 3 are 3D supermolecule structure formed by hydrogen-bonding interactions, and 1 is a two-dimensional (2D) network and 6 is an infinite one-dimensional (1D) chain. In addition, the fluorescent emission, fluorescence lifetimes of L 1 , L 2 and 1–6 have been investigated and discussed. Graphical abstract Six new coordination polymers(CPs) were achieved by reactions of the corresponding metal salt with mixed organic ligands. Their structures are determined by single-crystal X-ray diffraction, IR spectra, elemental analysis, powder X-ray diffraction and thermogravimetric analysis. They exhibit varied structures: complexes 4 and 5 are porous three-dimensional (3D) frameworks, while 2 and 3 are 3D supramolecular structure formed by hydrogen-bonding interactions, and 1 is a two-dimensional (2D) network and 6 is an infinite one-dimensional (1D) chain. In addition, the fluorescent emission, fluorescence lifetimes of L 1 , L 2 and 1–6 have been investigated and discussed. fx1 Highlights • Zinc and cadmium Coordination Polymers. • Structural analysis of all complexes. • Fluorescence properties of all complexes and ligand. [ABSTRACT FROM AUTHOR]

Abstract Three new coordination polymers [Co(L)(1,2,4,5-BTC) 0.5 (H 2 O)] n (1), {[Ni(L)(1,2-BDC)(H 2 O) 3 ]·H 2 O} n (2) and {[Zn 3 (L) 2 (1,3,5-BTC) 2 (H 2 O) 2 ]·3H 2 O} n (3) [ L = 3,6-bis(imidazole-1-yl)pyridazine, H 4 BTC = 1,2,4,5-Benzenetetracarboxylic acid, H 2 BDC = 1,2-Benzenedicarboxylic acid, H 3 BTC = 1,3,5-Benzenetricarboxylic acid] were synthesized based on a rigid ligand L and different aromatic carboxylic acid ligands under solvothermal conditions. The structures of the complexes 1–3 were determined by single crystal X-ray diffraction and further characterized by elemental analyses, IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). In addition, UV–vis diffuse-reflectance spectra demonstrate wide band gaps. The structural analysis reveals that complex 1 features a two-dimensional (2D) layer structure with a 6-connected sql topological net. Complex 2 shows a one-dimensional (1D) zigzag chain, while complex 3 displays a three-dimensional (3D) coordination network which exhibits an intriguing (5,5,6)-connected novel topological net with the point symbol of {32·42·53·63} 2 {32·44·54·63·72}. Moreover, the luminescence property and lifetimes of complex 3 has been measured at room temperature. Furthermore, in the complex-catalyzed homocoupling reaction of 4-substituted aryl iodides, the catalytic activities of complexes 1–3 have also been studied and discussed. Graphical abstract Three new coordination polymers were synthesized based on 3,6-bis(imidazole-1-yl)pyridazine and different aromatic carboxylic acid ligands. Complex 1 features a two-dimensional (2D) layer structure with a 6-connected sql topological net, 2 shows a one-dimensional (1D) zigzag chain, while complex 3 displays a three-dimensional (3D) coordination network which exhibits an intriguing (5,5,6)-connected novel topological net with the point symbol of {32·42·53·63} 2 {32·44·54·63·72}. Furthermore, in the complex-catalyzed homocoupling reaction of 4-substituted aryl iodides, the catalytic activities of complexes 1–3 have also been studied and discussed. Image 1 Highlights • 3,6-bis(imidazole-1-yl)pyridazine. • Mixed-ligand complexes. • Structural analysis of all complexes. • Complex-catalyzed homocoupling reaction. [ABSTRACT FROM AUTHOR]

Four new oxepine-containing pyrazinopyrimidine alkaloids, versicoxepines A − D (1 – 4), two quinolinone alkaloid analogs including 3-hydroxy-6-methoxy-4-phenylquinolin-2(1 H)-one (5) and 3-methoxy-6-hydroxy-4-phenylquinolin-2(1 H)-one (6) which were new naturally occurring compounds, together with two known compounds (7 and 8) were isolated from Aspergillus versicolor AS-212, an endozoic fungus isolated from the deep-sea coral Hemicorallium cf. imperiale , which was collected from the Magellan Seamounts in the Western Pacific Ocean. Their structures were determined by extensive analysis of the spectroscopic and X-ray crystallographic data as well as by chiral HPLC analysis, ECD calculation, and DP4+ probability prediction. Structurally, versicoxepines B and C (2 and 3) represent the first example of a new oxepine-containing pyrazinopyrimidine alkaloid whose cyclic dipeptide moiety is composed of the same type of amino acid (Val or Ile). Compound 5 displayed antibacterial activity against aquatic pathogens, Vibrio harveyi and V. alginolyticus , with MICs of 8 μg/mL. [Display omitted] • Four new oxepine-containing diketopiperazines were isolated from deep-sea coral-derived Aspergillus versicolor AS-212. • Chiral HPLC, ECD and DP4+, and X-ray diffraction were used for structure determination. • Compound 5 exhibited potent activities against aquatic- and plant-pathogenic microbes. [ABSTRACT FROM AUTHOR]

Hydrothermal syntheses have been extensively used in the area of polyoxometalates and metal organic frameworks. However, the hydrothermal synthesis of crystalline titanium(IV) complexes is a daunting challenge. The reason is that the high reactivity and spontaneous hydrolysis of titanium(IV) ions always leading to fast precipitation of corresponding oxide rather crystalline compounds. Herein, we reported an effective way towards crystalline titanium(IV) complexes. In the presence of organic amines, we successfully isolated three titanium(IV) compounds. It is worth noting that organic amines play a vital role in the synthesis process, while the introduction of chromophores largely enhanced the visible light harvest. [ABSTRACT FROM AUTHOR]

Three new Co(II) coordination polymers with formulas of {[Co 2 ( L 1 )(1,4-NDC) 2 ]·3H 2 O} n ( 1 ), [Co 3 ( L 2 ) 2 (HCOO) 2 (1,4-NDC) 2 ] n ( 2 ) and [Co 2 ( L 2 )( μ 3 -OH)(1,4-NDC) 1.5 ] n ( 3 ) (1,4-H 2 NDC = Naphthalene-1,4-dicarboxylic acid, L 1 = di(1 H -imidazol-1-yl)methane, L 2 = 1,4-di(1 H -imidazol-1-yl)benzene) were solvothermal synthesized from 1,4-H 2 NDC with the aid of three different length-controllable auxiliary ligands and fully characterized. Their structures are determined by single-crystal X-ray diffraction, IR spectra, elemental analysis, powder X-ray diffraction and thermogravimetric analysis. Complexes 1 and 3 display 3D framework structures, corresponding to a 6-connected (4 12 ·6 3 ) net, a 8-connected (4 24 ·5·6 3 ) net, respectively. However, it is noteworthy that the complex 1 displays a 2-fold interpenetrating framework structure, complex 3 possesses a self-interpenetrating framework structure. Complex 2 displays 2D 4-connected undulating plane net structure. Moreover, magnetic studies indicate antiferromagnetic interactions between the Co(II) ions in the four complexes. [ABSTRACT FROM AUTHOR]

A number of unprecedented homo heteracalix[2]arene[2]triazines were synthesized by means of a fragment coupling approach. Two directional nucleophilic substitution reactions of N-Boc-protected 1,3-dihydrazobenzene with cyanuric acid chloride and 2-butoxy-4,6-dichloro-1,3,5-triazine led to hydrazo-linked trimers, which underwent an efficient macrocyclic condensation reaction with functionalized resorcinol derivatives to afford (NHNBoc)2,O2-calix[2]arene[2]triazine macrocycles, which contain a functional group either on the upper rim or the lower rim. The use of 1,3-phenylenediamines instead of resorcinol in the reaction produced (NR)2,(NHNBoc)2-calix[2]arene[2]triazines. Postmacrocyclization modifications such as a nucleophilic substitution reaction of chloro on triazine by amines and the removal of Boc from hydrazo moieties produced homo calix[2]arene[2]triazine derivatives. In the solid state, (NHNR)2,O2-bridged calix[2]arene[2]triazines with and without a substituent on the upper rim position and (NMe)2,(NHNBoc)2-calix[2]arene[2]triazine adopted a typical partial cone conformation while the heavily twisted 1,3-alternate conformational structures were observed for both (NHNBoc)2,O2-calix[2]arene[2]triazines bearing a functional group on the lower rim position and (NH)2,(NHNBoc)2-calix[2]arene[2]triazine. In solution, all synthesized homo heteracalix[2]arene[2]triazines existed as the mixture of different macrocyclic conformers, which underwent slow interconversions at room temperature relative to the NMR time scale. [ABSTRACT FROM AUTHOR]

Three new mixed-ligand divalent coordination polymers (CPs) {[Zn 3 ( L )(1,4-bdc) 3 ]·2DMF} n ( 1 ), {[Zn 2 ( L )(2,6-ndc) 2 ]·3DMF} n ( 2 ) and {[Cd 2 ( L ) 3 (2,6-ndc) 2 ]} n ( 3 ) [ L = 9,10-di(pyridine-4-yl)anthracene, 1,4-H 2 bdc = 1,4-benzenedicarboxylic acid, 2,6-H 2 ndc = 2,6-naphthalenedicarboxylic acid] have been prepared and well characterized by elemental analyses, infrared spectroscopy, single-crystal X-ray diffraction techniques, powder X-ray diffraction patterns and thermogravimetric analyses. The crystal structure analyses of coordination polymers (CPs) reveal that all the complexes 1–3 have the three-dimensional (3D) coordination networks. The structure of 1 can be simplified as a sqc3 3D 8-connected framework with the point symbol of (4 24 ·6 4 ). Particularly, in the presence of the linear 2,6-H 2 ndc auxiliary ligand, a double-deck interpenetrating pcu 3D network of 2 is assembled by 6-connecting framework with the point symbol of (4 12 ·6 3 ). Complex 3 exhibits a ttd 3D 5-connected net with a point symbol of (4 6 ·6 4 ). Further, the solid-state luminescent properties of the complexes 1–3 were measured and studied at room temperature. [ABSTRACT FROM AUTHOR]

In this paper, a modified Hestenes–Stiefel conjugate gradient method for unconstrained problems is developed, which can achieves the twin goals of generating sufficient descent direction at each iteration as well as being close to the Newton direction. In our methods, the hybridization parameter can also be obtained based on other kinds of conjugacy conditions. Under mild condition, we establish their global convergence for general objective functions. Numerical experimentation with the new method indicates that it efficiently solves the test problems and therefore is promising. [ABSTRACT FROM PUBLISHER]

In this article, by slightly modifying the search direction of the nonmonotone Hestenes–Stiefel method, a variant Hestenes–Stiefel conjugate gradient method is proposed that satisfies the sufficient descent condition independent of any line search. This algorithm also possesses information about the gradient value and the function value. We establish the global convergence of our methods without the assumption that the steplength is bounded away from zero. Numerical results illustrate that our method can efficiently solve the test problems, and therefore is promising. [ABSTRACT FROM AUTHOR]

In this paper, a general form of three-term conjugate gradient method is presented, in which the search directions simultaneously satisfy the Dai–Liao conjugacy condition and sufficient descent property. In addition, the choice for an optimal parameter is suggested in the sense that the condition number of the iteration matrix could arrives at its minimum, which can be regarded as the inheritance and development of the spectral scaling quasi-Newton equation. Different from the existent methods, a new update strategy in constructing the search direction is proposed to establish the global convergence for the general function. Numerical results show our algorithm is practical and effective for the test problems. [ABSTRACT FROM AUTHOR]

Artificial soft actuators, featured with non-equilibrium internal circumstance and fast, programmable shape transformations, have attracted strong research interest recently due to their flexibility, highly controllable, and designability. However, wireless soft actuators, achieving the locomotion on different large slopes with multiple energy conversion, have been rarely reported. Herein, we create a asymmetric bilayer strategy to construct autonomous soft crawler via "breathing" moisture to motivate the mechanical deformation. The soft crawlers present conspicuous performances including periodic tumbler locomotion predicted via improved Timoshenko's equation, multiple reversible shape-morphing (circle, helix, despiralization, etc.) determined by their fiber orientation, controlled drive mode (front drive and rear drive) and rapid climb speed (4.76 cm/min) at wide slope angles. Through architecture design, they can be series-wound or shunt-wound to construct multi-joint complex actuators. Besides climbing, a intelligent soft ring-pull with admirable cycle performance for preventing overheating or something untouchable, has been proposed. The soft crawlers also realize multiple energy conversion to be actuated by light irradiation. We envision that this soft crawler system has an enormous potential in intelligent machine, microscopic diagnosis and treatment, biosensing, energy harvesting and conversion. [ABSTRACT FROM AUTHOR]

In this paper, by taking a little modification to the Hestenes–Stiefel method, we propose a new way to construct descent directions satisfying the sufficient descent condition. Also, an adaptive conjugacy condition and a intrinsic self-restarting mechanism are revealed, a dynamical adjustment can be regarded as the inheritance and development of properties of standard Hestenes–Stiefel method. Furthermore, we establish global convergence for general nonconvex objective function under mild condition. Numerical results show that our presented methods can be efficient for solving large-scale test problems and therefore is promising. [ABSTRACT FROM AUTHOR]

Allophycocyanin B (AP-B) is one of the two terminal emitters in phycobilisomes, the unique light-harvesting complexes of cyanobacteria and red algae. Its low excitation-energy level and the correspondingly redshifted absorption and fluorescence emission play an important role in funnelling excitation energy from the hundreds of chromophores of the extramembraneous phycobilisome to the reaction centres within the photosynthetic membrane. In the absence of crystal structures of these low-abundance terminal emitters, the molecular basis for the extreme redshift and directional energy transfer is largely unknown. Here, the crystal structure of trimeric AP-B [(ApcD/ApcB)3] from Synechocystis sp. PCC 6803 at 1.75 Å resolution is reported. In the crystal lattice, eight trimers of AP-B form a porous, spherical, 48-subunit assembly of 193 Å in diameter with an internal cavity of 1.1 × 106 Å3. While the overall structure of trimeric AP-B is similar to those reported for many other phycobiliprotein trimers, the chromophore pocket of the α-subunit, ApcD, has more bulky residues that tightly pack the phycocyanobilin (PCB). Ring D of the chromophores is further stabilized by close interactions with ApcB from the adjacent monomer. The combined contributions from both subunits render the conjugated rings B, C and D of the PCB in ApcD almost perfectly coplanar. Together with mutagenesis data, it is proposed that the enhanced planarity effectively extends the conjugation system of PCB and leads to the redshifted absorption (λmax = 669 nm) and fluorescence emission (679 nm) of the ApcD chromophore in AP-B, thereby enabling highly efficient energy transfer from the phycobilisome core to the reaction centres. [ABSTRACT FROM AUTHOR]

• Introduction to bioderived carbonaceous nanomaterials (Bd-CNMs). • Utilization of Bd-CNMs for biomedical applications, namely for drug delivery, tuberculosis, etc. • Current outlook, future trends and limitations of Bd-CNMs in the biomedical sector. Global concerns about energy, environment and human health have sparked research into new materials and methods for conserving energy, enhancing the sustainability of the ecosystem, and enhancing human health. As a result of the current biological and environmental crises, researchers are scrambling to find ecologically responsible ways to get cheap and sustainable resources to produce new functional materials. To combat numerous illnesses that affect people and animals, scientists from across the globe are studying new forms of bioderived nanomaterials for biomedical applications. One of the interesting possibilities for biomedical and related applications is bioderived carbonaceous nanomaterials (Bd-CNMs). The biological features of Bd-CNMs, including their facile functionalization, drug loading capacity, biocompatibility, and other attributes, have drawn the attention of many researchers. Thus, the important objective of this featured article is to summarize the most recent developments in the usage of Bd-CNMs for various biomedical applications, which will be followed by a discussion on the utility of carbonaceous nanoparticles in biomedical research to show how versatile they are in many domains. [ABSTRACT FROM AUTHOR]

• Failure analysis of bolt-gasket-flange joints in ultra-high pressure pipelines was carried out by the combination of experimental and simulated methods. • The differences of microstructure and mechanical properties between serviced gaskets and unused gaskets were investigated by a series of tests. • An improved layer-variable parameter numerical model which considers the heterogeneous mechanical properties of the gasket along the thickness direction is to accurately predict its stress and deformation. • Gasket material degradation caused by frequent pressure fluctuations at the working environment of high temperature and high pressure is the main cause of seal failure. This study was focused on the conical gaskets in ultra-high pressure pipeline sealing devices. Failure analysis of the conical gaskets was carried out by combining gasket experiments and numerical simulations. Macroscopic dimension inspection, miniature specimen tensile tests, micro-hardness tests, metallographic tests, and scanning electron microscope (SEM) experiments were carried out to study the differences between used gaskets and unused gaskets. Results show that the mechanical properties of the used gaskets degenerate and microstructural changes occur, which is caused by frequent pressure fluctuations in the working environment of high temperature and high pressure. Besides, the stress distribution and deformation of the gasket, as well as the effect of pressure fluctuation on the gasket stress, were analyzed by numerical simulation. Meanwhile, an improved layer-variable parameter numerical model is proposed for the numerical simulation of the used conical gaskets. The model was used to compare the elastic resilience of the gaskets before and after service under different preload, respectively. Results show that the simulated results by the model is closer to the experimental results. The elastic resilience of the used gaskets is significantly less than that of the unused gaskets. Therefore, it can be concluded that the mechanical properties degradation and accumulation of plastic deformation of the gaskets caused the lack of the elastic resilience of the gasket, which may be the direct cause of the seal failure. [ABSTRACT FROM AUTHOR]

The purpose of this study was to investigate the mechanism and effects of " Danggui–kushen " herb pair (DKHP) better than single drug in ischemic heart disease (IHD). IHD model was established by left anterior descending branch of coronary artery in rats. Rats were randomized into six groups and oral administration for 7 days: control, model, Danshen dripping pills (DS) (5.103 g/kg), Danggui (DG) (2.7 g/kg), Kushen (KS) (2.7 g/kg) and DKHP (2.7 g/kg). Electrocardiogram (ECG), myocardial infarction and damage assessment, histological inspection analysis, and various biochemical indexes of myocardial tissue were measured to evaluate the myocardial damage and the protective effects of drugs. The inflammatory levels were identified by HE staining and serum cytokine, and the expression of hypoxia-inducible factor 1α (HIF-1α), inhibitor kappa B kinaseβ (IKKβ) and nuclear transcription factor kappa B (NF-κB) were measured by immunohistochemistry. The results suggested that: compared with the control group, model group showed significantly myocardial tissue abnormalities, and increased levels of inflammatory cytokine. Treatment with drugs inhibited the increase of α-hydroxybutyrate dehydrogenase (α-HBDH), creatine kinase (CK), creatinekinase isoenzyme (CK-MB), interleukin 1 (IL-1) and interleukin 6 (IL-6). The results of immunohistochemical showed that drugs-treatment inhibited the expression of IKKβ and the P-p65, increased the expression of HIF-1α, which demonstrated that the anti-inflammatory effects of DKHP was achieved by suppressing of NF-κB signaling. These observations indicated that DKHP can ameliorate myocardial injury better than single. And these are related to the inhibition of NF-κB and actives HIF-1α signaling. [Display omitted] • Angelica - Sophora flavescens is a traditional Chinese medicine pair. The combination of the two drugs improved the state of myocardial ischemia. • Inflammation and hypoxia are the key pathologic states of ischemic heart disease. • HIF-1 affects inflammation, cancer and the cardiovascular system. • Angelica-Sophora flavescens can control inflammation and affect HIF-1 by regulating NF-κB. [ABSTRACT FROM AUTHOR]

Abstract: The primary fluid in a steam-jet vacuum pump is not assumed as a perfect gas as general research in the present study. A mathematic model based on the wet steam model for transonic flow is proposed to investigate the flow behaviours of primary fluid in the nozzle of a steam-jet vacuum pump. The simulation based on a wet steam model was carried out to predict the flow characteristics of primary fluid along the nozzle axis by a commercial computational fluid dynamics (CFD) code (FLUENT6.3). The simulation results showed that there was spontaneous condensation as the supersonic flow passing through the nozzle and the simulation results had a good agreement with the experimental data. It is found from the numerical simulation results that the steam flow characteristics in nozzle are quite different from a wet steam model and a perfect gas assumption: the outlet pressure of the nozzle predicted in the present study is higher than that as the primary fluid assumed as perfect gas, the outlet velocity is about 10% lower than that as the primary fluid assumed as a perfect gas, and the temperature at the outlet of the nozzle is much higher than that as the primary fluid assumed as a perfect gas. The simulation results demonstrate that the thermo-positive process due to steam condensation would hinder the supersonic expanding flow process in nozzle and depress the efficiency of the nozzle which would affect the pumping performance of steam-jet pump. [Copyright &y& Elsevier]

Extensive studies suggest direct links between cholesteryl ester transfer protein (CETP), high-density lipoproteins-cholesterol level and cardiovascular diseases. Many therapeutic approaches are aimed at the CETP. A series of N, N-disubstituted-trifluoro-3-amino-2-propanol analogues are among the most highly potent and selective inhibitors of CETP described to date. For in-depth investigation into the structural and chemical features responsible for exploring the binding pocket of these compounds, as well as for the binding recognition mechanism concerned, we performed a series of automated molecular docking operations. Moreover, the docking results were quite robust as further validated by molecular dynamics. The docking results reveal that the binding site mainly consists of two hydrophobic regions (P1 and P2 site) which are able to accommodate the lipophilic arms of the compounds investigated. Val421 in P1 site and Met194 in P2 site could be considered to be two important residues in forming the two hydrophobic regions. The presence of residues Phe197 and Phe463 in P2 site may be responsible for the binding recognition through π-π stacking interactions. The hydrophobic 3-phenoxy substituent may be important in creating the preferable inhibitive capability for increasing the binding potency. The hydrophobic character of the tetrafluoroethoxybenzyl group at position 3 displays better hydrophobicity than a shorter hydrophobic substituent. An interaction model of CETP-inhibitors is derived that can be successfully used to explain the different biologic activities of these inhibitors. It is anticipated that the findings reported here may provide very useful information or clues for designing effective drugs for the therapeutic treatment of CETP-related cardiovascular diseases. [ABSTRACT FROM AUTHOR]

Abstract: In Synechocystis sp. PCC 6803, the loop domain (aa 1–70) of the phycobilisome core-membrane linker, LCM, was found to interact with the glycosyl transferase homolog, Sll1466. Growth of a Sll1466 knock-out mutant was slightly faster in low light, but strongly inhibited in high light; the phenotype is discussed in relation to the regulation of light energy transfer to photosystem II. At the molecular level, the mutant shows the following changes compared to the wild type: (1) a smaller size and higher mobility of phycobilisomes on the thylakoid membrane, and (2) a changed lipid composition of the thylakoid membrane, especially decreased amounts of digalactosyl diacylglycerol. These results indicate a profound regulatory role for Sll1466 in regulating photosynthetic energy transfer. [Copyright &y& Elsevier]

Abstract: A mathematic model based on realizable k-ɛ turbulence model for transonic flow was proposed to investigate the mixing flow behaviours of primary and secondary fluids in steam-jet vacuum pump and the affections to the pumping performances. The simulation was carried out to predict the static pressure distribution among mixing chamber wall by a commercial computational fluid dynamics (CFD) code FLUENT 6.2. Close agreements between the predicted results and experimental data validated the present theoretical model. Using the present approach, the velocity vectors and Mach number profiles in mixing chamber at different back pressures and the secondary fluid pathlines and mass flux profiles at different suction pressures were predicted. It is found that there are swirls separated from secondary fluid near the wall and the velocity of secondary fluid was fallen down obviously when the back pressure was bigger than critical back pressure. The above two factors lead to the entrainment ratio (Em ) reduced rapidly. It is also found that the mass flux increased with the increasing of suction pressures and made the entrainment ratios increased. The prediction results show that the pressure ratio (K) is a dominant position in affecting the pump''s performances. [Copyright &y& Elsevier]

Abstract: Pentachlorophenol (PCP) is a highly toxic contaminant of chlorophenols. Due to its slow and incomplete biodegradation, it can be found in surface, groundwater and in soils. To investigate the role of intracellular calcium and reactive oxygen species in apoptosis induced by PCP in cultured hepatocytes, the primary hepatocytes of Carassius carassius were incubated with different concentrations of PCP at 25 °C for 8 h in vitro. Apoptosis was detected by DNA laddering, caspase activation and flow cytometry. The results demonstrated that apoptosis was involved in the cytotoxic effect of PCP, and that PCP-induced apoptosis occurred in a dose-dependent manner. In addition, the induction of apoptosis by PCP was accompanied with Ca2+, Mg2+-ATPase activity decline, intracellular Ca2+ elevation, generation of intracellular reactive oxygen species (ROS), mitochondrial membrane potential (ΔΨm ) disruption and ATP depletion. Concomitantly, there were dose-dependent increases in lipid peroxidation production (MDA) and decreases in glutathione (GSH). These investigations suggest that PCP-induces apoptosis in the cultured hepatocytes by affecting multiple targets, and suggest that [Ca2+] i increase and ROS generation may be involved in apoptosis induction by PCP. [Copyright &y& Elsevier]

By reformulating the linear complementarity problem into a new equivalent fixed-point equation, we deduce a modified modulus method, which is a generalization of the classical one. Convergence for this new method and the optima of the parameter involved are analyzed. Then, an inexact iteration process for this new method is presented, which adopts some kind of iterative methods for determining an approximate solution to each system of linear equations involved in the outer iteration. Global convergence for this inexact modulus method and two specific implementations for the inner iterations are discussed. Numerical results show that our new methods are more efficient than the classical one under suitable conditions. Copyright © 2008 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Abstract: We present an inexact multisplitting method for solving the linear complementarity problems, which is based on the inexact splitting method and the multisplitting method. This new method provides a specific realization for the multisplitting method and generalizes many existing matrix splitting methods for linear complementarity problems. Convergence for this new method is proved when the coefficient matrix is an -matrix. Then, two specific iteration forms for this inexact multisplitting method are presented, where the inner iterations are implemented either through a matrix splitting method or through a damped Newton method. Convergence properties for both these specific forms are analyzed, where the system matrix is either an -matrix or a symmetric matrix. [Copyright &y& Elsevier]

Efficient thin film composite polyamide (PA) membranes require optimization of interfacial polymerization (IP) process. However, it is challengeable owing to its ultrafast reaction rate coupled with mass and heat transfer, yielding heterogeneous PA membranes with low performance. Herein, a non‐isothermal‐controlled IP (NIIP) method is proposed to fabricate a highly permeable and selective PA membrane by engineering IP at the cryogenic aqueous phase (CAP) to achieve synchronous control of heat and mass transfer in the interfacial region. The CAP also enables the phase transition of the aqueous solution from the liquid to solid state, providing a more comprehensive understanding of the fundamental mechanisms involved in different phase states in the IP process. Consequently, the PA membrane exhibits excellent separation performance with ultrahigh water permeance (42.9 L m−2 h−1 bar−1) and antibiotic desalination efficiency (antibiotic/NaCl selectivity of 159.3). This study provides new insights for the in‐depth understanding of the precise mechanism linking IP to the performance of the targeting membrane. [ABSTRACT FROM AUTHOR]

We propose an experimentally feasible scheme for generating genuinely tripartite entanglement in a hybrid quantum system which consists of topologically protected particle-like excitations (magnetic vortices), cavity microwave photons, and solid-state spins (NV centers in diamond). The magnetic vortices and solid-state spins are simultaneously coupled to the microwave cavity photons via magnetic dipole interaction. By introducing a microwave modulation to the collective spins and under appropriate parameter regimes, we find that the steady state of the system is a genuinely tripartite entangled state where vortices, cavity photons, and spins are entangled with each other. The effect of the introduced modulation on the produced entanglement is analyzed, and we also show that the entanglement is robust against dissipation. This work may offer a promising platform for studying macroscopic quantum effects and quantum information processing with the vortex–photon–spin system. [ABSTRACT FROM AUTHOR]

Six new complexes {[Gd(L1) 2 (H 2 O) 3 ·Cl} n (1), [Eu(H L2) 2 (H 2 O) 6 ·(H 2 O) 4 ·3Cl (2), [Ln(H L2) 2 (H 2 O) 6 ·3Cl [Ln = Ho (3) and Sm (4)], {[Ln(H L3) 2 (H 2 O) 2 · 2Cl} n [Ln = Eu (5) and Yb (6)] (H 2 L1 = 2-(hydroxymethyl)-1 H -benzo d imidazole-5-carboxylic acid, H 2 L2 = 2-(4-hydroxyphenyl)-1 H -benzo d imidazole-5-carboxylic acid, H 3 L3 = 2-(2-carboxyethyl)-1 H -benzo d imidazole-5-carboxylic acid) have been solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). Complexes 1 , 5 and 6 are an infinite one-dimensional (1D) chain by hydrogen bonding interactions to give a 3D supermolecular structure. Complexes 2 – 4 are mononuclear structure, which further formed 3D supermoleculear structure through hydrogen-bonding interactions. Furthermore, luminescent properties of these lanthanide complexes have been assessed in the solid state at ambient temperature. In addition, magnetic measurements reveal that complexes 3 – 6 have a weak antiferromagnetic interaction, while complex 1 has a ferromagnetic interaction. Six new complexes {[Gd(L1) 2 (H 2 O) 3 ·Cl} n (1), [Eu(H L2) 2 (H 2 O) 6 ·(H 2 O) 4 ·3Cl (2), [Ln(H L2) 2 (H 2 O) 6 ·3Cl [Ln = Ho (3) and Sm (4)], {[Ln(H L3) 2 (H 2 O) 2 · 2Cl} n [Ln = Eu (5) and Yb (6)] (H 2 L1 = 2-(hydroxymethyl)-1 H -benzo d imidazole-5-carboxylic acid, H 2 L2 = 2-(4-hydroxyphenyl)-1 H -benzo d imidazole-5-carboxylic acid, H 3 L3 = 2-(2-carboxyethyl)-1 H -benzo d imidazole-5-carboxylic acid) have been solvothermally synthesized. Complexes 1 , 5 and 6 are an infinite one-dimensional (1D) chain by hydrogen bonding interactions to give a 3D supermolecular structure. Complexes 2 – 4 are mononuclear structure, which further formed 3D supermoleculear structure through hydrogen-bonding interactions. Furthermore, luminescent properties of these lanthanide complexes have been assessed in the solid state at ambient temperature. In addition, magnetic measurements reveal that complexes 3 – 6 have a weak antiferromagnetic interaction, while complex 1 has a ferromagnetic interaction. Image 1 • Benzimidazole carboxylic acid. • Lanthanide complexes. • synthesis. • Luminescence and magnetic properties. [ABSTRACT FROM AUTHOR]

Five new three-dimensional (3D) cobalt-based metal-organic frameworks (MOFs), [Co(L) 0.5 (1,4-BDC)] n (1), [Co 3 (L)(1,2,4-TBC) 2 (H 2 O) 4 ] n (2), [Co 1.5 (L)(1,2,4,5-HBTC)(H 2 O) 2 ] n (3), [Co(L)(5-AIPC)] n (4), and [Co(L)(1,4-NDC)] n (5), (L = 3,6-bis(benzimidazol-1-yl)pyridazine; 1,4-H 2 BDC = terephthalic acid; 1,2,4-H 3 BTC = benzene-1,2,4-tricarboxylic acid; 1,2,4,5-H 4 BTC = benzene-1,2,4,5-tetracarboxylic acid; 5-H 2 AIPC = aminoisophthalic acid; 1,4-H 2 NDC = naphthalene-1,4-dicarboxylic acid) have been synthesized, and then characterized by IR spectroscopy, thermogravimetric analysis, elemental analysis, powder X-ray diffraction, and single-crystal X-ray diffraction. The structure analysis displays that complexes 1–5 have a 3D network, which 1 displays a 2-fold interpenetrating 3D framework structure with the point symbol of (412·63), 2 have a 8-connected 3D framework structure with the point symbol of (36·414·57·6) and 3 displays a 2,6-connected 3D new topological structure with the point symbol of (44·610·10)(6). Co-MOFs were evaluated as an electrode material for supercapacitors. Complex 1 displayed a higher specific capacitance of 281 F g−1 in 6 M KOH solution at a current density of 1 A g−1 and remained at 195 F g−1 after 2000 cycles at 2 A g−1. In addition, the magnetic properties of complexes 1–5 have been investigated and discussed. Image 1 Five new three-dimensional (3D) Cobalt-based metal-organic frameworks (MOFs) has been synthesized, and then characterized by IR spectroscopy, thermogravimetric analysis, elemental analysis, powder X-ray diffraction, and single-crystal X-ray diffraction. The structure analysis display that all complexes have a 3D network. Co-MOFs was evaluated as an electrode material for supercapacitors. Complex 1 displayed a higher specific capacitance of 281 F g−1 in 6 M KOH solution at a current density of 1 A g−1 and remained at 195 F g−1 after 2000 cycles at 2 A g−1. In addition, the magnetic properties of complexes 1–5 have been investigated and discussed. [ABSTRACT FROM AUTHOR]

Building thermal insulation and energy conservation have become urgent problems in the field of civil engineering because they are important for achieving the goal of carbon neutralization. Thermal conductivity is an important index for evaluating the thermal insulation of materials. To study the influence of different porosity levels on the thermal conductivity of materials, this paper established a random distribution model using MATLAB and conducted a comparative analysis using COMSOL finite element software and classical theoretical numerical calculation formulas. The thermal conductivity of composite materials was determined based on a theoretical calculation formula and COMSOL software simulations, and the theoretical calculation results and simulation results were compared with the measured thermal conductivity of the composites. Furthermore, the influence of the width of the gaps between the materials on the heat transfer process was simulated in the fabricated roof structure. The results showed the following: (1) The thermal conductivity values calculated using the Zimmerman model were quite different from those calculated using the Campbell-Allen model and those calculated using the COMSOL software; (2) The thermal conductivity values calculated using the theoretical calculation formula were lower than the measured data, and the maximum relative error was more than 29%. The COMSOL simulation results were in good agreement with the measured data, and the relative error was less than 5%; (3) When the gap width was less than 60 mm, it increased linearly with the heat transfer coefficient. The heat transfer coefficient increased slowly when the gap width was greater than 60 mm. This was mainly due to the thermal bridge effect inside the insulation system. Based on these research results, a thermal insulation system was prepared in a factory. [ABSTRACT FROM AUTHOR]

We propose an effective highest occupied d‐orbital modulation strategy engendered by breaking the coordination symmetry of sites in the atomically precise Cu nanocluster (NC) to switch the product of CO2 electroreduction from HCOOH/CO to higher‐valued hydrocarbons. An atomically well‐defined Cu6 NC with symmetry‐broken Cu−S2N1 active sites (named Cu6(MBD)6, MBD=2‐mercaptobenzimidazole) was designed and synthesized by a judicious choice of ligand containing both S and N coordination atoms. Different from the previously reported high HCOOH selectivity of Cu NCs with Cu−S3 sites, the Cu6(MBD)6 with Cu−S2N1 coordination structure shows a high Faradaic efficiency toward hydrocarbons of 65.5 % at −1.4 V versus the reversible hydrogen electrode (including 42.5 % CH4 and 23 % C2H4), with the hydrocarbons partial current density of −183.4 mA cm−2. Theoretical calculations reveal that the symmetry‐broken Cu−S2N1 sites can rearrange the Cu 3d orbitals with dx2-y2 ${d_{x^2 - y^2 } }$ as the highest occupied d‐orbital, thus favoring the generation of key intermediate *COOH instead of *OCHO to favor *CO formation, followed by hydrogenation and/or C−C coupling to produce hydrocarbons. This is the first attempt to regulate the coordination mode of Cu atom in Cu NCs for hydrocarbons generation, and provides new inspiration for designing atomically precise NCs for efficient CO2RR towards highly‐valued products. [ABSTRACT FROM AUTHOR]

We propose an effective highest occupied d‐orbital modulation strategy engendered by breaking the coordination symmetry of sites in the atomically precise Cu nanocluster (NC) to switch the product of CO2 electroreduction from HCOOH/CO to higher‐valued hydrocarbons. An atomically well‐defined Cu6 NC with symmetry‐broken Cu−S2N1 active sites (named Cu6(MBD)6, MBD=2‐mercaptobenzimidazole) was designed and synthesized by a judicious choice of ligand containing both S and N coordination atoms. Different from the previously reported high HCOOH selectivity of Cu NCs with Cu−S3 sites, the Cu6(MBD)6 with Cu−S2N1 coordination structure shows a high Faradaic efficiency toward hydrocarbons of 65.5 % at −1.4 V versus the reversible hydrogen electrode (including 42.5 % CH4 and 23 % C2H4), with the hydrocarbons partial current density of −183.4 mA cm−2. Theoretical calculations reveal that the symmetry‐broken Cu−S2N1 sites can rearrange the Cu 3d orbitals with dx2-y2 ${d_{x^2 - y^2 } }$ as the highest occupied d‐orbital, thus favoring the generation of key intermediate *COOH instead of *OCHO to favor *CO formation, followed by hydrogenation and/or C−C coupling to produce hydrocarbons. This is the first attempt to regulate the coordination mode of Cu atom in Cu NCs for hydrocarbons generation, and provides new inspiration for designing atomically precise NCs for efficient CO2RR towards highly‐valued products. [ABSTRACT FROM AUTHOR]

The adsorption of Mg2+ onto soil colloids from a Ultisol and an Oxisol in the presence of Pseudomonas fluorescens and Bacillus subtilis was studied in a batch adsorption experiment as a function of the Mg2+ concentration and bacteria/soil colloid ratio. The results indicated that Mg2+ adsorption was enhanced due to P. fluorescens and B. subtilis loading on soil colloids. The larger the amount of bacteria that were adhered to colloids, the greater the increase in Mg2+ adsorption. More bacteria were adhered to the Oxisol due to its higher contents of iron and aluminum oxides, and thus, the enhancement in Mg2+ adsorption induced by bacteria was greater than that achieved with the Ultisol. Both soils had a greater adhesion capacity for B. subtilis than for P. fluorescens, and therefore, B. subtilis was responsible for a greater enhancement of Mg2+ adsorption than P. fluorescens. When the concentration of B. subtilis was 6 mg L−1, the adsorption of Mg2+ on the Ultisol and Oxisol was 2.51- and 2.18-times that of the bulk soil without bacteria. At the same concentration of P. fluorescens, the adsorption of Mg2+ on the Ultisol and Oxisol was 1.54- and 1.92-times that of the bulk soil without bacteria. The zeta potential of the Ultisol and Oxisol changed from positive to negative or became more negative after the two bacteria were adhered onto soil surfaces at pH values from 3 to 8. The increase in Mg2+ adsorption was significantly correlated with the changes in zeta potential of soil colloids induced by the adhesion of bacteria. It was concluded that bacterial adhesion increased the negative surface charge in variable-charge soils, and thus, enhanced the adsorption of Mg2+ by the soils due to the increase in electrostatic interaction between Mg2+ and soil colloids. [ABSTRACT FROM AUTHOR]

In the present work we undertook the complete mitochondrial genome sequencing of a important prostate cancer model inbred Sprague–Dawley strain for the first time. The total length of the mitogenome was 16,308 bp. It harbored 13 protein-coding genes, two ribosomal RNA genes, 22 transfer RNA genes and one non-coding control region (D-loop region). The mutation events were also reported. [ABSTRACT FROM PUBLISHER]

Ganoderma sinense is a Chinese unique medicinal fungus that has been used in folk medicine for thousands of years. Polysaccharides are considered to be biologically active ingredients due to their immune-modulating functions. Previously we found that GSP-2, a new polysaccharide isolated from Ganoderma sinense, exerts an immunomodulatory effect in human peripheral blood mononuclear cells but the underlying mechanism is unclear. The present study aimed to investigate how GSP-2 triggers immunologic responses and the implicated signaling pathways. GSP-2 effects were investigated both in a macrophagic cell line, RAW264.7, and in primary macrophages. Moreover, the molecular basis of GSP-2 recognition by immune cells, and the consequent activation of signaling cascades, were explored by employing recombinant human HEK293-TLR-Blue clones, individually overexpressing various Toll-like receptors. GSP-2 dose-dependently induced the overexpression of Toll-like receptor 4 (TLR4) but did not affect the expression of other TLRs. Moreover, GSP-2 induced TNFα secretion in primary macrophages from wild-type, but not TLR4-knockout mice. In addition, GSP-2 upregulated TLR4 protein expression and activated the MAPK pathway in RAW246.7 macrophages. Finally, GSP-2 induced the production of the cytokines TNFα, IL1β, and IL6. Our data demonstrated that GSP-2 was specifically recognized by TLR4, promoting cytokine secretion and immune modulation in macrophages. [ABSTRACT FROM AUTHOR]

Pseudorabies virus (PRV) is a double-stranded DNA virus that causes Aujeszky's disease and is responsible for economic loss worldwide. Transmembrane protein 41B (TMEM41B) is a novel endoplasmic reticulum (ER)-localized regulator of autophagosome biogenesis and lipid mobilization; however, the role of TMEM41B in regulating PRV replication remains undocumented. In this study, PRV infection was found to upregulate TMEM41B mRNA and protein levels both in vitro and in vivo. For the first time, we found that TMEM41B could be induced by interferon (IFN), suggesting that TMEM41B is an IFN-stimulated gene (ISG). While TMEM41B knockdown suppressed PRV proliferation, TMEM41B overexpression promoted PRV proliferation. We next studied the specific stages of the virus life cycle and found that TMEM41B knockdown affected PRV entry. Mechanistically, we demonstrated that the knockdown of TMEM41B blocked PRV-stimulated expression of the key enzymes involved in lipid synthesis. Additionally, TMEM41B knockdown played a role in the dynamics of lipid-regulated PRV entry-dependent clathrin-coated pits (CCPs). Lipid replenishment restored the CCP dynamic and PRV entry in TMEM41B knockdown cells. Together, our results indicate that TMEM41B plays a role in PRV infection via regulating lipid homeostasis. IMPORTANCE PRV belongs to the alphaherpesvirus subfamily and can establish and maintain a lifelong latent infection in pigs. As such, an intermittent active cycle presents great challenges to the prevention and control of PRV disease and is responsible for serious economic losses to the pig breeding industry. Studies have shown that lipids play a crucial role in PRV proliferation. Thus, the manipulation of lipid metabolism may represent a new perspective for the prevention and treatment of PRV. In this study, we report that the ER transmembrane protein TMEM41B is a novel ISG involved in PRV infection by regulating lipid synthesis. Therefore, our findings indicate that targeting TMEM41B may be a promising approach for the development of PRV vaccines and therapeutics. [ABSTRACT FROM AUTHOR]

A rapid identification method for flue-cured tobacco quality was proposed based on Raman spectroscopy. Considering the critical quality factors of flue-cured tobacco-like oil content, softness, and glossiness, four statistical methods, random forest, K-nearest neighbor, logistic regression, and partial least squares, can effectively improve the accuracy of quality identification. We randomly collected 149 flue-cured tobacco samples from multiple producing areas in China. After Raman spectroscopy analysis, Savitzky–Golay convolution smoothing and multi-scatter correction were done. The functional groups were analyzed to select characteristic peaks as features for discriminant analysis. The results show that the Raman spectroscopic information can distinguish the quality of flue-cured tobacco with an accuracy greater than 95%, whereas the partial least-squares approach delivers an accuracy of 100%. We conclude that Raman spectroscopy can be considered a vital avenue for identifying the quality of flue-cured tobacco. [ABSTRACT FROM AUTHOR]

Aims: To evaluate the ability of carbohydrate antigen 125 (CA125), human epididymis protein 4 (HE4), risk of ovarian malignancy algorithm (ROMA), and Copenhagen Index (CPH‐I) to identify primary ovarian cancer (OC) from borderline and benign ovarian tumors (OTs) and explore ideal cutoff points. Methods: A total of 684 OTs containing 276 OC patients, 116 ovarian borderline OTs and 292 benign OTs patients who underwent surgery in our hospital were included. We retrospectively searched the results of CA125 and HE4 before patients' surgery from the hospital's electronic medical records system. ROMA and CPH‐I were calculated according to their menopausal status and age, respectively. Diagnostic performance of these four were assessed by drawing receiver operating characteristic (ROC) curves. Results: CA125, HE4, ROMA, and CPH‐I were all significantly higher in OC women compared with borderline OTs (p < 0.001), followed by benign OTs (p < 0.001). Area under the curves (AUCs) for distinguishing OC were 0.850 (0.818–0.882), 0.891 (0.865–0.916), 0.910 (0.888–0.933) and 0.906 (0.882–0.930), respectively, and the corresponding ideal cutoff values for CA125, HE4, ROMA, and CPH‐I were 132.5, 68.6, 23.8, and 6.4, respectively. The difference between ROMA and CPH‐I was not significant (p = 0.97), but both were higher than CA125 and HE4 (p < 0.05). HE4 showed a significantly higher AUC than CA125 (p < 0.05). For postmenopausal women, CA125 performed equivalently to ROMA (p = 0.73) and CPH‐I (p = 0.91). Conclusions: In identifying patients with OC, ROMA and CPH‐I outperformed single tumor marker. The diagnostic performance of HE4 was significantly higher than that of CA125. CA125 was more suitable for postmenopausal women. [ABSTRACT FROM AUTHOR]

Four new complexes [Ni 3 ( L 1 ) 3 (H 2 O) 10 ] ( 1 ), [Zn 3 ( L 2 ) 3 (H 2 O)] n ( 2 ), [Cd( L 2 )(H 2 O)] n ( 3 ) and [Cd 2 (H L 2 ) 4 (H 2 O) 4 ] ( 4 ) have been synthesized by the reaction of 4-(1 H -tetrazol-5-yl)phenol (H 2 L 1 ) and 2-(1 H -tetrazol-5-yl)phenol (H 2 L 2 ) with nickel, zinc, cadmium salts. Complex 1 was synthesized by H 2 L 1 ligand at room temperature conditions, 2 and 3 are synthesized by H 2 L 2 ligand in situ reaction under hydrothermal conditions, 4 is synthesized by H 2 L 2 ligand at room temperature reflux conditions. All of them were characterized by elemental analysis and single-crystal X-ray diffraction, infrared spectrosopy, powder X-ray diffraction and thermogravimetric analysis (TGA). Complexes 1 and 4 are the small-size clusters, the structure of complexes 2 and 3 reveal 2D coordination network. Topologically, complexes 2 and 3 show that binodal networks with a 4-connected and the point symbol of (4 4 ·6 2 ). In addition, magnetic, fluorescence, and UV–Vis properties of these complexes have been studied. [ABSTRACT FROM AUTHOR]

We present the first example of charged imidazolium functionalized porphyrin‐based covalent organic framework (Co‐iBFBim‐COF‐X) for electrocatalytic CO2 reduction reaction, where the free anions (e.g. F−, Cl−, Br−, and I−) of imidazolium ions nearby the active Co sites can stabilize the key intermediate *COOH and inhibit hydrogen evolution reaction. Thus, Co‐iBFBim‐COF‐X exhibits higher activity than the neutral Co‐BFBim‐COF, following the trend of F−