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Abstract: Ab initio method based on density-functional theory has been used to investigate the Au n Pd− (n=1–5) cluster anions. The possible stable geometrical configurations with their electronic states are determined, and the energy gaps between the HOMO and LUMO of the ground states are investigated. Our results show that the one excess electron is strong enough to modify the known growth pattern of the neutral Au n Pd clusters, and indicate that the larger is the Au n Pd cluster, the smaller are the distortions by the one excess electron. [Copyright &y& Elsevier]

Abstract: Adenylyl cyclases (ACs) are promising pharmacological targets for treating heart failure, cancer, and psychosis. Ribose-substituted nucleotides have been reported as a potent family of AC inhibitors. In silico analysis of the docked conformers of such nucleotides in AC permits assembly of a consistent, intuitive QSAR model with strong correlation relative to measured pK i values. Energy decomposition suggests that the MANT group effects an AC conformational transition upon ligand binding. [Copyright &y& Elsevier]

Abstract: Influence of Ti and Hf combined additions on the Ni2AlX (X=Ti,Hf) Heusler phase precipitation in as-cast NiAl–Cr(Mo) eutectics was investigated by XRD, SEM and TEM observation. The results show that with the increasing of Ti content, the Ni2Al(Ti,Hf) precipitation with blocky morphology at NiAl/Cr(Mo) interface and cellular boundary is nearly suppressed; however, this precipitation with cuboidal or granular morphology within the NiAl matrix promoted. The mechanisms of this transition of precipitation behavior are attributed to the decrease of interfacial energies due to the coherency between NiAl and Heusler phase Ni2Al(Ti,Hf) with the increasing of Ti addition. The size of Ni2Al(Ti,Hf) coherent precipitates inside the NiAl matrix decreased progressively with the increasing of Ti content in NiAl phase, showing a Gibbs–Thomson relation-like trend. In addition, another (Ti,Hf) solid solution phase along with the Ni2Al(Ti,Hf) precipitates was observed for lower Ti addition alloys, which is the precipitation from NiAl matrix prior to Ni2Al(Ti,Hf) precipitation. This may be ascribed to the fast formation kinetics of (Ti,Hf) solid solution phase relative to the Ni2Al(Ti,Hf) phase for lower level Ti-containing alloys. [Copyright &y& Elsevier]

Abstract: We propose a magnetoresistance device in a both magnetically and electrically modulated two-dimensional electron gas, which can be realized experimentally by the deposition, on the top and bottom of a semiconductor heterostructure, of two parallel metallic ferromagnetic strips under an applied voltage. It is shown that a considerable magnetoresistance effect can be achieved in such a device due to the significant transmission difference for electrons through parallel and antiparallel magnetization configurations. It is also shown that the magnetoresistance ratio depends strongly on the applied voltage to the stripe in the device. These interesting properties may provide an alternative scheme to realize magnetoresistance effect in hybrid ferromagnetic/semiconductor nanosystems, and this system may be used as a voltage-tunable magnetoresistance device. [Copyright &y& Elsevier]

Abstract: The microstructural characteristics and thermal stability of a rapidly solidified NiAl–Cr(Mo)–Hf near-eutectic alloy fabricated by water-cooled copper mold method were investigated by SEM, EDAX, TEM, and HIP treatment. Rapid solidification resulted in the following effects which encompass refinement of the microstructure: cell size, lamellar spacing and precipitates, deviation from the equilibrium composition, solubility extension, and a transition from a Heusler phase to a Hf-rich phase. With respect to thermal stability, it is proposed that the localized destabilization of the microstructure after hot isostatic pressing (HIP) treatment is closely related to the presence of primary NiAl dendrites. [Copyright &y& Elsevier]

Abstract: We propose a Magnetoresistance device in a magnetically modulated two-dimensional electron gas, which can be realized experimentally by the deposition of two parallel ferromagnetic strips on the top and bottom of a semiconductor heterostructure. It is shown that there exists a significant transmission difference for electrons through the parallel and antiparallel magnetization configurations of such a device, which leads to a considerable magnetoresistance effect. It is also shown that the magnetoresistance ratio of the device depends greatly on the magnetic strength difference in the two delta barriers of the system. [Copyright &y& Elsevier]

Abstract: Water-soluble single-walled carbon nanotubes (SWNTs) were synthesized by grafting poly(acrylamide) (PAM) from the surface of SWNT via reversible addition–fragmentation chain transfer (RAFT) polymerization. The RAFT agents were covalently attached to the SWNTs by functionalizing SWNTs with in situ generated diazonium compounds. The product was characterized by means of FT-IR, Raman, 1H NMR, TGA and TEM. The results showed that PAM chains had successfully grafted from SWNT by RAFT polymerization. The amount of PAM grown from SWNT increased with the polymerization time. The acrylamide conversion increased linearly with the polymerization time, indicating the “living” characteristics of the RAFT polymerization. TEM was utilized to image PAM-g-SWNT, showing relatively uniform polymer coatings present on the surface of individual, debundled nanotubes. [Copyright &y& Elsevier]

Abstract: In an effort to enhance the oral bioavailability of scutellarin, ethyl, benzyl and N,N-diethylglycolamide ester of scutellarin were synthesized. The hydrolysis of the prodrugs follows first-order kinetics in aqueous solution, and produced a V-shaped pH profile. The N,N-diethylglycolamide ester is highly susceptible to enzymatic hydrolysis in human plasma (t 1/2 ≈7min) with a high stability in aqueous solution (t 1/2 ≈16 day, pH 4.2). Compared with the solubility of scutellarin, the solubility of glycolamide ester was about ten times in pH 4.0 buffer, and about thirty five times in water. Its apparent partition coefficient increased significantly from −2.56 to 1.48. Glycolamide ester of scutellarin was chosen to investigate the intestinal metabolism and in vivo bioavailability. Degradation studies in the intestinal tract content and homogenates indicated intestinal metabolism before absorption was a crucial obstacle for the prodrug. N,N-Diethylglycolamide ester can be protected from the degradation in the intestinal lumen by an emulsion. A significant increase in the plasma AUC and C max of the prodrug emulsion was observed in rats, compared with that of the scutellarin–cyclodextrin complex (P <0.01). The emulsion of N,N-diethylglycolamide ester produces a 1.58-fold enhancement in apparent bioavailability and 1.4-fold increase in the absolute bioavailability compared to the scutallarin–cyclodextrin complex. [Copyright &y& Elsevier]

Abstract: Layered Li[Ni(1−x)/3Mn(1−x)/3Co(1−x)/3Cr x ]O2 materials with x =0, 0.01, 0.02, 0.03, 0.05 are prepared by a solid-state pyrolysis method. The oxide compounds were calcined with various Cr-doped contents, which result in greater difference in morphological (shape, particle size and specific surface area) and the electrochemical (first charge profile, reversible capacity and rate capability) differences. The Li[Ni(1−x)/3Mn(1−x)/3Co(1−x)/3Cr x ]O2 powders were characterized by means of X-ray diffraction (XRD), charge/discharge cycling, cyclic voltammetry, and SEM. XRD experiment revealed that the Li[Ni(1−x)/3Mn(1−x)/3Co(1−x)/3Cr x ]O2 (x =0, 0.01, 0.02, 0.03, 0.05) were crystallized to well layered α-NaFeO2 structure. The first specific discharge capacity and coulombic efficiency of the electrode of Cr-doped materials were higher than that of pristine material. When x =0.02, the sample showed the highest first discharge capacity of 241.9mAhg−1 at a current density of 30mAg−1 in the voltage range 2.3–4.6V, and the Cr-doped samples exhibited higher discharge capacity and better cycleability under medium and high current densities at room temperature. [Copyright &y& Elsevier]

Abstract: Cinnamaldehyde is a principle compound isolated from Guizhi-Tang, which is a famous traditional Chinese medical formula used to treat influenza, common cold and other pyretic conditions. The aim of the present study was to investigate the effects of cinnamaldehyde on expression and activity of cyclooxygenase (COX) and prostaglandin E2 (PGE2) in rat cerebral microvascular endothelial cells (RCMEC). RCMEC were cultured, and identified by immunohistochemistry for von Willebrand factor in cytoplasm of the cells. Then cells were incubated in M199 medium containing interleukin (IL)-1β in the presence or absence of cinnamaldehyde. After incubation, the medium was collected and the amount of PGE2 was measured by enzyme-linked immunosorbent assay (ELISA). The cells were harvested, mRNA expression and activity of COX were analyzed by real-time reverse transcription-polymerase chain reaction (RT-PCR) with SYBR Green dye and ELISA respectively. Positive immunostaining for von Willebrand factor was present diffusely in the cytoplasm of >95% RCMEC. IL-1β increased the mRNA expression and activity of COX-2, and production of PGE2 in a dose- and time-dependent manner in RCMEC, while mRNA and activity of COX-1 were not significantly altered. Cinnamaldehyde significantly decreased IL-1β-induced COX-2 activity and PGE2 production in a dose-dependent manner, while it showed no inhibitory effect on IL-1β-induced COX-2 mRNA expression in cultured RCMEC. In conclusion, cinnamaldehyde reduces IL-1β-induced COX-2 activity, but not IL-1β-induced COX-2 mRNA expression, and consequently inhibits production of PGE2 in cultured RCMEC. [Copyright &y& Elsevier]

Abstract: A generalized relativistic harmonic oscillator for spin 1/2 particles is studied. The eigenfunctions and eigenenergies are obtained for the ring-shaped non-spherical harmonic oscillator by solving Dirac equation with equal mixture of vector and scalar potentials in opposite signs, for which pseudospin symmetry is exact. Several particular cases such as the ring-shaped harmonic oscillator, non-spherical harmonic oscillator, and spherical harmonic oscillator are also discussed. [Copyright &y& Elsevier]

Abstract: In order to get homogeneous layered oxide Li[Ni1/3Mn1/3Co1/3]O2 as a lithium insertion positive electrode material, we applied the metal acetates decomposition method. The oxide compounds were calcined at various temperatures, which results in greater difference in morphological (shape, particle size and specific surface area) and the electrochemical (first charge profile, reversible capacity and rate capability) differences. The Li[Ni1/3Mn1/3Co1/3]O2 powders were characterized by means of X-ray diffraction (XRD), charge/discharge cycling, cyclic voltammetry and SEM. XRD experiment revealed that the layered Li[Ni1/3Mn1/3Co1/3]O2 material can be best synthesized at temperature of 800°C. In that synthesized temperature, the sample showed high discharge capacity of 190mAhg−1 as well as stable cycling performance at a current density of 0.2mAcm−2 in the voltage range 2.3–4.6V. The reversible capacity after 100 cycles is more than 190mAhg−1 at room temperature. [Copyright &y& Elsevier]

Abstract: We present a scheme for realizing two-qubit quantum phase gate using a three-level artificial atom with cyclic population transfer. In this scheme, the “atom” interacts with a bimodal cavity, and a classical field is synchronously coupled with its two lowest energy levels. Operation of the logic gate only involves metastable states of the “atom”, thus is not affected by spontaneous emission. [Copyright &y& Elsevier]

Abstract: The influence of van der Waals (vdW) force on the stability of electrostatic torsional nano-electro-mechanical systems (NEMS) actuators is analyzed in the paper. The dependence of the critical tilting angle and voltage is investigated on the sizes of structure with the consideration of vdW effects. The pull-in phenomenon without the electrostatic torque is studied, and a critical pull-in gap is derived. A dimensionless equation of motion is presented, and the qualitative analysis of it shows that the equilibrium points of the corresponding autonomous system include center points, stable focus points, and unstable saddle points. The Hopf bifurcation points and fork bifurcation points also exist in the system. The phase portraits connecting these equilibrium points exhibit periodic orbits, heteroclinic orbits, as well as homoclinic orbits. [Copyright &y& Elsevier]

Abstract: Lipopolysaccharides (LPS), otherwise termed ‘endotoxins’, are outer-membrane constituents of Gram-negative bacteria and play a key role in the pathogenesis of ‘septic shock’, a major cause of mortality in the critically ill patient. We have shown that the pharmacophore necessary for optimal recognition and neutralization of LPS by small molecules requires an interaction between two protonatable positive charges separated by a distance of ∼14Å, which corresponds to the distance between two anionic phosphates on the glycolipid component of LPS called lipid A. The in silico binding of a diverse set of compounds with bis-amino, -amidino, -guanidino, and -aminoguanidino functionalities, identified as potential lead scaffolds in a high-throughput screen, with lipid A was explored using molecular docking simulations. A weighted expression for binding affinity was trained relative to experimental ED50 measurements, attaining a correlation of R 2 =0.66. Our docking results showed that the electrostatic interaction between ligands and lipid A phosphates dominates the expression and varies little across the series, and other ligand–receptor interactions seem to play a secondary role in governing the observed variations in the relative ligand binding affinity. Further, it appears that the ligand internal energy plays the primary role in differentiating between compound binding affinities which also correlated well with experimental ED50 data (R =0.77). Application of this strategy would be useful in the de novo design of highly active endotoxin-sequestering agents. [Copyright &y& Elsevier]

Abstract: Using semiclassical theory, we study coherent trapping of a three-level atom, where the atom possesses a momentum of its center-of-mass motion and is irradiated only by a classical circularly polarized electromagnetic wave. We find that if the atom is initially in a coherent trapping state of it, under the zero- or first-order approximation, the atom is absolutely or nearly in the state hereafter. [Copyright &y& Elsevier]

Abstract: Radial spherical ZnO structures with nanorods grown on both inside and outside of a hollow sphere-like core along the c-axis direction have been produced by thermal evaporation of Zn powder in the absence of catalysts. Scanning electron microscopy and X-ray diffraction investigation show that the radial spherical ZnO structures are of high purity nanocrystal with a wurtzite structure. It is found that the formation of the sphere-shaped liquid Zn droplets before adding oxygen is a key factor to control the morphology of the radial spherical ZnO structures. The radial spherical structures could possibly be used as a building block and open up new opportunities for the self-assembly of functional nanodevices. [Copyright &y& Elsevier]

Abstract: Pseudospin symmetry in the relativistic harmonic oscillator is investigated systemically by solving the Dirac equation with vector and scalar potentials quadratic, and found to be a good approximation in realistic nuclei such as . The pseudospin breaking is shown in correlation with nuclear mean-field shaped by the harmonic oscillator frequency and the distance of well-bottom deviation from the center, which play a important role in the splittings of energy and wavefunction, especially for the doublets with fewer nodes and lower angular momentum. The energy-level crossings are found for all the pseudospin partners. [Copyright &y& Elsevier]

Abstract: Objective:: To selectively determine the role of leukocyte CC-chemokine receptor 2 (CCR2) in atherogenesis. Methods and results:: Bone marrow progenitor cells harvested from CCR2(+/+) mice were transplanted into irradiated CCR2(−/−) mice, representing the whole-body absence of CCR2 except in leukocytes. Transplantation of CCR2(−/−) bone marrow into CCR2(−/−) mice served as control. Eight weeks after bone marrow transplantation, the diet of regular chow was switched to a high-cholesterol diet for another 10 weeks in order to induce atherosclerosis. No significant differences in serum cholesterol and triglyceride levels were observed between the two groups. However, the mean cross-sectional aortic root lesion area of CCR2(+/+)→CCR2(−/−) mice amounted up to 12.28±3.28×104 μm2, compared with only 3.08±0.74×104 μm2 observed in the CCR2(−/−)→CCR2(−/−) group. Thus, the presence of CCR2 exclusively on leukocytes induces a fourfold increase in aortic lesion area. This extent of lesion development was comparable to C57Bl/6 mice receiving CCR2(+/+) bone marrow (10.08±3.30×104 μm2). Conclusion:: These results point at a dominant role of leukocyte CCR2 in atherogenesis, implying that CCR2 from nonleukocyte sources, like endothelial cells or smooth muscle cells, is less critical in the initiation of atherosclerosis. Pharmacological inhibition of leukocyte CCR2 function might be a promising strategy to prevent atherosclerosis. [Copyright &y& Elsevier]

Abstract: The -wave Dirac equation is solved exactly for a single particle with spin and pseudospin symmetry moving in a central Woods–Saxon potential. The corresponding radial wavefunctions for the two-component spinor are obtained in terms of the hypergeometric function, and the energy spectra of the bound states are presented as the solutions to the given equations with boundary constraints. The condition of existing bound states is analyzed in the limit of pseudospin symmetry. [Copyright &y& Elsevier]

Abstract: A new route for the preparation of magnesium silicon nitride (MgSiN2) powder by combustion synthesis (CS) in nitrogen gas from several different starting mixtures (Mg+Si, Mg2Si, Mg+Si3N4) was investigated. The results showed that the compositions of the combustion products depended on the starting mixtures. Single-phase MgSiN2 powder can be fabricated from Mg2Si or the mixtures of Mg and Si3N4 powders. The oxygen content of the resulting powder was as low as 0.356wt.%. However, the product from Mg and Si mixtures consists mainly of MgSiN2 together with free Si, MgO and not identified phases. [Copyright &y& Elsevier]

The microtubule-associated protein tau aggregates intracellularly by unknown mechanisms in Alzheimer's disease and other tauopathies. A contributing factor may be a failure to break down free cytosolic tau, thus creating a surplus for aggregation, although the proteases that degrade tau in brain remain unknown. To address this issue, we prepared cytosolic fractions from five normal human brains and from perfused rat brains and incubated them with or without protease inhibitors. D-Phenylalanyl-L-prolylarginyl chloromethyl ketone, a thrombin-specific inhibitor, prevented tau breakdown in these fractions, suggesting that thrombin is a brain protease that processes tau. We next exposed human recombinant tau to purified human thrombin and analyzed the fragments by N-terminal sequencing. We found that thrombin proteolyzed tau at multiple arginine and lysine sites. These include Arg155-Gly156, Arg209-Ser210, Arg230-Thr231, Lys257-Ser258, and Lys340-Ser341 (numbering according to the longest human tau isoform). Temporally, the initial cleavage occurred at the Arg155Gly156 bond. Proteolysis of the resultant C-terminal tau fragment then proceeded bidirectionally. When tau was phosphorylated by glycogen synthase kinase-3β, most of these proteolytic processes were inhibited, except for the first cleavage at the Arg155-Gly156 bond. Furthermore, paired helical filament tau prepared from Alzheimer's disease brain was more resistant to thrombin proteolysis than following dephosphorylation by alkaline phosphatase. The results suggest a possible role for thrombin in proteolysis of tau under physiological and/or pathological conditions in human brains. They are consistent with the hypothesis that phosphorylation of tau inhibits proteolysis by thrombin or other endogenous proteases, leading to aggregation of tau into insoluble fibrils. [ABSTRACT FROM AUTHOR]

A two-stage algorithm is presented to determine an analytical model-based rational function by adaptively selecting sampling points. At the first stage, the rational interpolation function is created by using Stoer-Bulirsch algorithm and comparing the fitted model with the different ranks. At the second stage, the fitted model is validated by comparing with the first-principle model at a set of checking points. Some checking points will be added to the sampling series determined in the first stage to improve the fitted model. The new proposed algorithm is more accurate and effective than that using Stoer-Bulirsch interpolation only due to the fact that it appends the validation approach. When a highly oscillating curve is approximated, the validation ensures the fitting precision. With the two-stage MBPE algorithm, some time-consuming electromagnetic computations can be replaced by the interpolation from the fitting functions, which can increase the computational efficiency greatly. This method is used to calculate the samplings of the Green' s functions in a multi- layer horizontal soil to demonstrate its effectiveness. The number of samples used to accurately model such Green' s functions is less than 20 for the typical soil parameters. The computational time can be reduced by more than two orders of magnitude compared with that using the conventional uniform sampling technology. [ABSTRACT FROM AUTHOR]

A new supramolecular compound [Zn(H2EDTA)(H2O)](Q)2(H2O)2 (1), where H4EDTA=ethylenediaminetetraacetic acid and Q=4-(carboxylate)pyridinium, has been prepared by mild hydrothermal reaction and characterized by elemental analysis, IR spectrum and thermogravimetric analysis. Single-crystal X-ray diffraction of 1 [monoclinic, space group C2/c, a=11.310(4) Å, b=9.704(4) Å, c=23.798(10) Å, β=97.401(10)°, Z=4] revealed that the ZnII ion coordinates to the chelating tetradentate ligand H2EDTA and a water molecule, taking a distorted trigonal-bipyramid geometry. The mononuclear [Zn(H2EDTA)(H2O)] subunits are linked to form two-dimensional layered architectures by the lattice water moieties through O–H⋯O hydrogen bonds, which are further extended to a three-dimensional (3D) supramolecular network by 4-(carboxylate)pyridinium guests (resulting from the ring-opening hydrolysis of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole) through extensive hydrogen-bonding interactions. The 3D supramolecular framework is also stabilized by significant face-to-face π–π stacking interactions between the aromatic pyridinium systems. [Copyright &y& Elsevier]

The Integrated Battery Recycling (BATINTREC) process is an innovative technology for the recycling of used batteries and electronic waste, which combines vacuum metallurgical reprocessing and a ferrite synthesis process. Vacuum metallurgical reprocessing can be used to reclaim the mercury (Hg) in the dry batteries and the cadmium (Cd) in the Ni–Cd batteries. The ferrite synthesis process reclaims the other heavy metals by synthesizing ferrite in a liquid phase. Mixtures of manganese oxide and carbon black are also produced in the ferrite synthesis process. The effluent from the process is recycled, thus significantly minimizing its discharge. The heavy metal contents of the effluent could meet the Integrated Wastewater Discharge Standard of China if the ratio of the crushed battery scrap and powder to FeSO4·7H2O is set at 1:6. This process could not only stabilize the heavy metals, but also recover useful resource from the waste. [Copyright &y& Elsevier]

In terms of Lie theory the evolution of a time-dependent quantum system can be described by the dynamics of its generalized coherent state and its phase properties can be investigated by an Hermitian phase operator constructed from a generalized phase state we introduced. Two illustrative examples of SU(1,1) and SU(2) groups are presented. [Copyright &y& Elsevier]

Limbal stem cells (LSCs) are crucial for corneal transparency and vision. Any damages to LSCs might lead to limbal stem cell deficiency resulting in corneal opacification and even blindness. Here, we investigated the cytotoxicity of timolol and its underlying mechanisms in rabbit LSCs (rLSCs) in vitro. High concentrations of 0.5% and 0.25% timolol induced necroptosis in rLSCs to upregulate receptor interacting protein kinase (RIPK)1, RIPK3, mixed lineage kinase domain-like (MLKL) and phosphorylated MLKL along with downregulation of caspase-8 and caspase-2 within 4 h. While, median concentrations of 0.125% to 0.0625% timolol induced apoptosis in the rLSCs within 28 h. The apoptotic mechanism in the median-concentration timolol-treated rLSCs is probably via extrinsic apoptosis pathway by activating caspase-2, caspase-8 and caspase-3 and intrinsic apoptosis pathway triggered by excessive generation of ROS and subsequent DNA damage to upregulate Bax and Bad, downregulate Bcl-2 and Bcl-xL, subsequently disrupt mitochondrial membrane potential, cytosolically translocate cytochrome c and apoptosis-inducing factor, and activate caspase-9. In addition, low concentration of 0.03125% timolol induced senescence in the rLSCs by elevating ROS level and increasing number of senescence associated β-galactosidase positive cells at 28 h. Our findings reveal that timolol induces necroptosis, apoptosis and senescence concentration-dependently in rLSCs in vitro. [Display omitted] • 0.25% and 0.5% timolol induce necroptosis in rLSCs via RIPK1, RIPK3 and MLKL pathway in vitro. • 0.0625%-0.125% timolol induce apoptosis in rLSCs through caspase- and mitochondria-dependent pathway in vitro. • 0.03125% timolol induced senescence in rLSCs in vitro. [ABSTRACT FROM AUTHOR]

Mechanical activation in mechanical removal of GaN using diamond tip and mechanochemical removal using Al 2 O 3 tip are described by the Archard equation and mechanically assisted Arrhenius-type kinetic model, respectively. Evident material-removal under elastic contact occurs with the assistance of interfacial mechanochemical reactions. By analyzing the mechanochemical reactions with Arrhenius-type kinetic model and Hertzian contact mechanics, the critical activation volume and activation barrier are determined semiquantitatively. The mechanical activation originating from the chemically active counter-surface facilitates the mechanochemical atomic attrition by altering the energy barrier of the reaction kinetics. This work can provide deep insights into the mechanochemical-removal mechanism of GaN. • Linear dependence between load and GaN removal against diamond obeys Archard's equation. • Evident mechanochemical removal of GaN against Al 2 O 3 occurs under purely elastic contact. • Mechanochemical removal of GaN using Al 2 O 3 is described by the modified Arrhenius-type model. • Mechanical activation reduces the energy barrier of mechanochemical reaction kinetics. • Synergic effect of counter-surface chemistry and mechanical energy is elucidated. [ABSTRACT FROM AUTHOR]

The increasing production of microcystin-LR (MC-LR) causing animal and human health issues is found in eutrophic water bodies, marine habitats and desert environments. The health threat posed by MC-LR has led to the establishment of World Health Organization's water guideline value of 1 μg/mL. Combating this has increased the search for cost-effective approach to degrade MC-LR. The study aimed to optimize the MC-degrading environmental factors of bacterial community YFMCD4. Response surface methodology (RSM) was employed to evaluate the influence of varying temperatures, pH and initial MC-LR concentration on the biodegradation efficiency of MC-LR by bacterial community YFMCD4. The optimal MC-LR biodegradation environmental factors were found to be 30 °C, pH 7 and 2 μg/mL initial MC-LR. The biodegradation rate reached 100% after 10 h. YFMCD4 mainly consisted of genera Alacligenes , Sphingobacterium and Pseudomonas using High-throughput pyrosequencing technology. The mlrA gene encoding MlrA enzyme considered most important for MC-LR biodegradation was obtained from YFMCD4. Data demonstrated that the bacterial structure and biodegradation efficiency of YFMCD4 varied with the change of environmental factors including temperature, pH and MC-LR concentrations. RSM is considered a good method to examine the optimal biodegradation environmental conditions for MC-LR. To date, RSM and High-throughput pyrosequencing technology are employed to optimize the biodegradation conditions (30 °C, pH 7 and 2 μg/mL initial MC-LR) and analyze the structure of bacterial community for the first time. • RSM was used to optimize MC-LR biodegradation conditions by YFMCD4 for the first time. • Varying temperatures, pH and MC-LR concentrations influenced MC-LR biodegradation. • Structure of YFMCD4 was analyzed by high-throughput pyrosequencing technology. • mlrA and mlrD homologues genes were amplified from YFMCD4. [ABSTRACT FROM AUTHOR]

• Adjusting the cooling temperatures for the batteries and cabin independently. • Researching the backpressure control method to differentiate the evaporation. • Realizing the di-function of battery cooling or heating directly by refrigerant. • Investigating the refrigerant-based cabin-and-battery mixed heating management. A refrigerant-based thermal management system (TMS) for electric vehicles (EVs) is proposed and analyzed, aiming to tackle the conflict between the cabin thermal comfort and the battery thermal safety, and to realize the battery heating or cooling directly by the refrigerant without supplementary devices. Compared with the traditional EV TMSs, an electronic expansion valve (EEV) is equipped after the battery cooling/heating device in the refrigerant branch circuit. The performance of the proposed new TMS is investigated by mathematical simulations in conditions of the standardized New European Driving Cycles (NEDC) and different climates. The simulation results indicate that both the temperatures of the cabin air and the battery pack can be well controlled by the proposed TMS. In the cabin-and-battery mixed cooling mode for summer, the cooling temperatures for the cabin and the battery can be adjusted independently, and the cabin air can be cooled to the target temperature effectively as well as the battery thermal safety is guaranteed. In the cabin-and-battery mixed heating mode for winter, the high temperature refrigerant flows through the battery cooling plate and heats the batteries with the latent heat of condensation, and the battery preheating can be completed within 15 min and 9 min in the condition of 0 °C and 7 °C ambient temperature, respectively. Besides the thermal behaviors of the cabin and the battery, the controls of the compressor and the valves are also investigated to verify the practical feasibility of the proposed TMS. [ABSTRACT FROM AUTHOR]

[Display omitted] Currently, the chemotherapy drugs-loaded thermosensitive liposomes have not shown an over standard of clinical effects compared to preclinical trials. In addition to the limiting factors of clinical trial design and heating device, abnormal angiogenesis in desmoplastic tumor is a key factor for unexpected clinical efficacy. Malformed tumor vasculature may result in reduced vascular transport and the heterogeneous distribution of thermosensitive liposomes in tumor. Here, we report an anti-angiogenesis strategy through hypoxia-inducible factors (HIF)-1α-vascular endothelial growth factor (VEGF) axis based on icaritin and coix seed oil dual loaded multicomponent thermosensitive lipid complexes (IC-ML). IC-ML could downregulate the HIF-1α expression in HepG2 cells with a synergetic antitumor effect. In addition, HepG2 + LX-2 cells co-cultured 3D tumor spheres administered IC-ML showed the strongest penetration and inhibition of growth. Accordingly, IC-ML displayed improved tumor penetration and superior synergistic antitumor efficacy with HIF-1α-VEGF downregulation in vivo under mild hyperthermia. The improvement of antitumor efficacy of IC-ML comes from the anti-angiogenesis strategy and comprehensive tumor microenvironment remodeling, including depletion of cancer-associated fibroblasts as well as inhibition of M2-type tumor associated macrophage infiltration in desmoplastic tumor. This study proposes a novel multicomponent synergistic antitumor strategy to improve the therapeutic potential of thermosensitive lipid complexes for hepatocellular carcinoma. [ABSTRACT FROM AUTHOR]

Plasma-activated water (PAW) has good liquidity and uniformity and may be a promising candidate to inactivate Penicillium italicum and maintain the quality attributes of kumquat. In this study, the effect of plasma-activated water (PAW) on the viability of Penicillium italicum on kumquat and quality attributes of PAW-treated kumquats were then systematically investigated to elucidate the correlation between PAW and kumquat quality attributes. The effects of PAW on fruit decay, microbial loads, and firmness of postharvest kumquats during the 6-week storage were also investigated. The results showed that the viability of Penicillium italicum was notably inhibited by PAW on kumquats. Moreover, PAW did not significantly change the surface color of kumquats. No significant reductions in ascorbic acid, total flavonoid, and carotenoids were observed in kumquats after the PAW treatment. Results from nitrate and nitrite residue analyses showed that PAW did not leave serious nitrate and nitrite residues after treatment. The decay analysis results demonstrated that PAW has the potential to control kumquat decay and fungal contamination as well as maintain the firmness of postharvest kumquats throughout 6-week storage. Transmit electron microscope observation confirmed that PAW could cause the surface sculpturing in the skin cell wall of kumquat. The information obtained from this research may provide insight into the utilization of PAW to fight against fungal infection during the storage of citrus fruit. • The viability of Penicillium italicum is notably inhibited by PAW on kumquats. • PAW does not significantly change the quality attributes of kumquats. • PAW does not leave serious nitrate and nitrite residues after treatment. • PAW could cause the surface sculpturing in the skin cell wall of kumquat. [ABSTRACT FROM AUTHOR]

• A novel strategy was developed to prepare nitrogen rich biochar. • APBC has high affinity and strong sorption ability towards Pb(II). • APBC contains abundant nitrogen and oxygen-containing groups. • Sorption of Pb(II) is mainly dominant by inner–sphere surface complexation. Biochar was prepared by torrefaction of ammonium persulphate pretreated bamboo (labeled as APBC) and applied into elimination of Pb(II) from water solutions. APBC was characterized by N 2 adsorption–desorption isotherms, elemental and Zeta potential analyses, SEM-EDS, XPS, and FTIR. Abundant N- and O-containing groups appeared atop APBC. Batch sorption assays revealed that APBC had high affinity and strong sorption ability towards Pb(II). The high Pb(II) adsorbing ability was attributed to the high contents of N- and O-containing functional groups of APBC. The adsorption mechanism mainly occurred by inner–sphere surface complexation. Hence, torrefaction of ammonium persulphate pretreated bamboo is a promising strategy for producing efficient biochar that is applicable for industrial wastewater treatment. [ABSTRACT FROM AUTHOR]

The static and dynamic mechanical behaviors of atoms/ions migrating on graphene surface are investigated via theoretical and numerical calculations, and a design idea of nano-scale device that can be used for atoms/ions screening is proposed on this basis. By using the Fourier expansion of the interaction potential between atoms, the analytical expression of the interaction force between an atom/ion and infinitely large graphene is derived. The dependence of the interaction force on the vertical distance from the atom/ion to graphene surface and the atomic/ionic types are analyzed. Based on the interaction force, a dynamics governing equation for the migration of atoms/ions on graphene surface is established, and the dynamics behaviors of atoms/ions when they migrate on the graphene surface at different initial velocities are studied. Taking lithium-ion as an example, it is found that there are three migration states along the armchair direction of graphene. No matter which migration state, the lithium-ion will eventually be stably adsorbed above the center of a hexagonal carbon ring (the hollow site). By adjusting the initial velocity, the lithium-ion can be steadily adsorbed at the specified sites, so as to control the migration distance of lithium-ion. What's more, the functional relationship between the critical initial velocity of the lithium-ion and the stable adsorption sites on graphene surface is given, and the influence of the vertical distance from the lithium-ion to graphene surface on the migration process is analyzed. In addition, the dynamics behaviors of the migration of different atoms/ions on graphene surface are studied, and it is found that the migration of alkali metal particles is more free with the increase of atomic number, and the stable site is further away from the initial position, which is in good agreement with the results of molecular dynamics simulation in the literature. Besides, the effects of initial position, damping and migration path on the dynamics behaviors of atoms/ions migrating on graphene surface are also studied. Finally, on the basis of theoretical results, a design idea of graphene-based nano-scale device is proposed, which can be used to screen specified atoms/ions and control their in and out positions. Image 1 • The mechanical behaviors of atoms/ions migrating on graphene are investigated. • The dependence of dynamics behavior of atoms/ions on initial velocity is studied. • The influence of atomic/ionic types on the dynamics behavior is described. • The effects of initial position, damping and migration path are considered. • A design idea of graphene-based nanodevice for atoms/ions screening is proposed. [ABSTRACT FROM AUTHOR]

• Texturing effects on nanotribological properties and subsurface damage are studied. • Nanoscale friction and wear behaviour of GaN can be regulated by texture parameter. • Nano-texture can alleviate dislocation development and reduce subsurface damage. • The m -GaN exhibits lower wear and thicker damage layer compared with the c -GaN. Surface nanotribological properties and subsurface damage of flat and textured gallium nitride (GaN) substrates during both linear and circular nanoscratching processes are investigated using molecular dynamics simulation. Results show that the surface texture can remarkably reduce not only the surface friction and wear but also the scratching-induced subsurface damage regardless of the tip radius and penetration depth. Tangential force and friction coefficient decreased with an increase in groove width or depth primarily due to the reduced contact area. The effect of texturing on stress distribution can affect the development of dislocation to alleviate the nanoscale material deformation and removal and thereby reduce surface wear and subsurface damage. Increasing tip radius can reduce the friction coefficient and surface wear, but it promotes subsurface damage. By contrast, increasing tip penetration depth can increase the friction, wear, and subsurface damage for flat and textured GaN substrates. Compared with the c -plane, the m -plane GaN substrate exhibits higher friction but lower material wear, and it has a considerably thicker subsurface damage layer due to the difference in their dislocation networks. This work can provide useful insights into the design of GaN-based material with antifriction and wear properties through the surface texturing treatments. [ABSTRACT FROM AUTHOR]

• A modified drag correlation considering wall-retardation effect is proposed based LBM. • The wall-retardation effect only works when h / d ≤ 2 (h is the particle-to-wall distance and d is the particle size). • In 140 s, the proppant pack height calculated by the newly proposed correlation is 0.0375m lower than that of Gidaspow model, proving that the wall-retardation effect exists and hindered the settlement of particles. • The newly proposed correlation is more advanced than the original Gidaspow model on simulation of two-phase flow in narrow-width channel. Proppant transport is crucial in hydraulic fracturing, which determines fracture conductivity and well productivity. Proppant transport in hydraulic fractures is essentially the dense solid−liquid flow. Unlike the widely studied fluid-solid flow in chemical engineering and fluvial sediment transport, the motion of proppants (particles) will be significantly affected by walls of narrow channels such as fractures and slots, because the drag force is changed. This paper studies the wall-retardation effect on particle movement, and modified the drag coefficient for simulating liquid−solid flow in narrow-width fractures. Both experiments and simulations on proppant transport are conducted. The drag coefficient considering wall-retardation effect is modified by the Lattice Boltzmann method (LBM), and is integrated into OpenFOAM for two fluid method (TFM) numerical simulation. Experiment and simulation results show a good agreement, and the improved drag model is more advanced than the Gidaspow model in reproducing the movement characteristics of suspended particles in narrow channels. Compared to previous research outcomes about this topic, this work can efficiently improve the accuracy on proppant transport simulation and be widely applied in industrial numerical simulations. [ABSTRACT FROM AUTHOR]

Glycerol oxidation reaction (GOR) is an attractive alternative reaction for oxygen evolution reaction (OER) in the electrochemical water splitting and can be used to generate high-value products. However, the development of GOR electrocatalysts with high catalytic activity and low cost is challenging. In this research, a self-supported copper-manganese electrode (MnO 2 -CuO/CF) was developed, which attains a current density of 10.7 mA cm−2 at a low potential of 1.3 V, while yielding 1,3-dihydroxyacetone (DHA), with a selectivity of 60%. DFT calculations reveal the synergistic effect between CuO and MnO 2 , enhancing glycerol adsorption. Additionally, the overlap configuration of CuO and MnO 2 results in a lower electron density on MnO 2 , preventing further oxidation and increasing DHA selectivity. By coupling GOR and water electrolysis, the dual output of high value-added organic products and high-purity hydrogen can be realized, which provides a new idea for green hydrogen production and electrochemical synthesis of high value-added chemicals. [Display omitted] • The copper-manganese self-supported electrodes(MnO 2 -CuO/CF) was constructed. • MnO 2 -CuO/CF attains 10 mA cm−2 at 1.3 V with a selectivity of 60% for 1,3-dihydroxyacetone. • The DFT calculations revealed the mechanism of GOR on MnO 2 -CuO/CF electrode. • Overlap configuration regulates the electron density of MnO 2 , promoting the desorption of DHA. [ABSTRACT FROM AUTHOR]

Due to the complex aerodynamic effects, the reentry trajectory optimization problem is highly nonlinear. When using sequential convex programming (SCP) methods to solve it, the iteration solution is difficult to converge. To improve this, we propose a hybrid-order soft trust region-based SCP method. We analyze the penalty effect of typical trust regions. Based on the analysis, we develop a hybrid-order soft trust region combining a small-weight first-order component and a higher-order components. To solve the subproblem reliably and effectively, we equivalently reformulate it as a second-order cone programming (SOCP) form through the relaxation technique. Combined with the line search method, we further design an SCP algorithm with guaranteed convergence under some assumptions. In the numerical simulations, the effectiveness and robustness of the proposed method have been verified using a nominal case and 200 Monte Carlo cases. [ABSTRACT FROM AUTHOR]

• A data processing platform, HDPairFinder, was developed to automatically recognize H/D isotope labeled chemicals in HPLC-HRMS data. • Cross-correlation was proposed to address the RT shift caused by the deuterium isotopic effect. • A suite of bioinformatic algorithms was incorporated to effectively remove false positive features. • AMINES, a library of over 38000 amino-containing chemicals, was constructed to facilitate compound annotation. • Over 1000 highly confident H/D-labeled amino-containing compounds can be identified from the data of environmental water samples. The combination of hydrogen/deuterium (H/D) formaldehyde-based isotopic methyl labeling with solid-phase extraction and high-performance liquid chromatography–high resolution mass spectrometry (HPLC-HRMS) is a powerful analytical solution for nontargeted analysis of trace-level amino-containing chemicals in water samples. Given the huge amount of chemical information generated in HPLC-HRMS analysis, identifying all possible H/D-labeled amino chemicals presents a significant challenge in data processing. To address this, we designed a streamlined data processing pipeline that can automatically extract H/D-labeled amino chemicals from the raw HPLC-HRMS data with high accuracy and efficiency. First, we developed a cross-correlation algorithm to correct the retention time shift resulting from deuterium isotopic effects, which enables reliable pairing of H- and D-labeled peaks. Second, we implemented several bioinformatic solutions to remove false chemical features generated by in-source fragmentation, salt adduction, and natural 13C isotopes. Third, we used a data mining strategy to construct the AMINES library that consists of over 38,000 structure-disjointed primary and secondary amines to facilitate putative compound annotation. Finally, we integrated these modules into a freely available R program, HDPairFinder.R. The rationale of each module was justified and its performance tested using experimental H/D-labeled chemical standards and authentic water samples. We further demonstrated the application of HDPairFinder to effectively extract N-containing contaminants, thus enabling the monitoring of changes of primary and secondary N-compounds in authentic water samples. HDPairFinder is a reliable bioinformatic tool for rapid processing of H/D isotopic methyl labeling-based nontargeted analysis of water samples, and will facilitate a better understanding of N-containing chemical compounds in water. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract: Spirobixanthene-based polymeric monodisperse spheres with particle sizes about 600nm in diameter have been prepared through surfactant-free Suzuki coupling polymerization in a single-phase. The polymer (PSBX) exhibits permanent microporous nature with high Brunauer–Emmett–Teller specific surface area up to 1020m2 g−1. Its hydrogen storage can reach upto 1.67wt% (1.0bar and 77K) and the uptake capacity for carbon dioxide is 12.0wt% (1.0bar and 273K). Interestingly, PSBX is a highly hydrophobic material but with a high methanol uptake (574mgg−1 at saturated vapor pressure and room temperature). The good sorption capacity of PSBX for toluene (887mgg−1 at saturated vapor pressure and room temperature) makes it potent for use in the elimination of harmful small aromatic molecules in the environment. [Copyright &y& Elsevier]

Herein, a hybrid hydrogel was prepared by polymerizing N -isopropylacrylamide (NIPAAm) in the presence of gelatin and mixed with 300 nm polystyrene nanospheres (PNs) to cross-link the gelatin. A thermo-responsive polyNIPAAm(PNIPAAm)-gelatin hybrid hydrogel (NGHH) membrane was obtained after removing the lodged PNs from the NGHH. At the PNIPAAm-to-gelatin content ratio of 1, PNIPAAm in the NGHH membrane extended to completely occupy the pores left by PNs below the lower critical solution temperature (LCST), forming a pore-less membrane. Contrarily, above the LCST, phase separation of PNIPAAm occurred, resulting in pores in the membrane. This pore closing and opening below and above the LCST changed the water flux through the NGHH membranes, indicating the excellent water gating efficiency of these membranes. Accordingly, we applied these membranes as protein valves to separate lysozyme (Lys) and bovine serum albumin (BSA) of different sizes. At both 25 and 45 °C, smaller Lys could be transported through the hydrogen bonding channels of the pore-less membrane, whereas larger BSA was blocked by this membrane at 25 °C and transported through the pore-rich membrane at 45 °C. Thus, this biocompatible and stable NGHH membrane functioned as a biological selective valve, allowing protein separation. Image 1 • Thermo-responsive membrane are prepared by PNIPAAm-gelatin hybrid hydrogel (NGHH). • Polystyrene nanospheres are exploited to create thermo-tunable pores in the NGHH membranes. • Thermo-tunable pores can adjust the water flux through the NGHH membranes from 25 to 45 °C. • Pore closing and opening efficiently purify Lys and BSA with temperature switching. • Hydrogen bonding between PNIPAAm and gelatin improves thermo-responsive membrane efficiency. [ABSTRACT FROM AUTHOR]

Molecular dynamics simulations were used to explore the effect of abrasive size on the nano abrasive machining for wurtzite gallium nitride (GaN) single crystal. The deformation behaviours, varied with the abrasive size, were systematically analysed. The simulation results show that increasing the abrasive size results in more severe plastic deformation and machining-induced hardening, which consequently cause an increase in atomic temperature, strain, stress, and cutting forces. The use of larger abrasive produces greater compression, thus boosts the elastic recovery and damages the subsurface of GaN single crystal much heavily, with the enhancement of the nucleation and emission of dislocation, and the local phase transition from B4 to B3 structure or even to fivefold hexagonal structure. The development of pile-up and amorphization is impressively inhibited by increasing abrasive size, suggesting that the cutting effect could be impaired using a larger abrasive under a given depth of cut. • The effect of abrasive size on the nano abrasive machining for GaN single crystal is investigated via MD simulation. • Both plastic deformation and machining-induced hardening become severe as the abrasive size increases. • The development of pile-up and amorphization is impressively inhibited by increasing abrasive size. • The cutting effect can be impaired using a greater abrasive under a given depth of cut. [ABSTRACT FROM AUTHOR]

• The ca. 154 ~ 154 Ma magmatic/hydrothermal episode is recognized. • The granitoids in Donghua exhibit characteristics of both A-type and I-type. • Favorable environment for mineralization in Donghua is distinguished. Located in the southern section of the Wuyi Mountain metallogenic belt, the Dehua-Youxi-Yongtai (DYY) ore district is one of the potential areas of gold deposits in the Fujian province, Southeast China. Gold mineralization is widely distributed in this district, including Qiucun, Shuangqishan, Ancun, and Dongyang gold deposits. However, the DYY ore district is still at a low degree of exploration and research. This paper focuses on the Donghua area in the northwest of the DYY ore district as its typical and integrated volcano-magma mechanism revealed in this study. Combined approaches including zircon SHRIMP U-Pb geochronology, Rb-Sr isochron dating and mineral chemistry of pyrite, and hyperspectral remote sensing are employed, aiming to identify the magmatism, alteration, geological setting, and metallogenic potential of the Donghua area. The zircon SHRIMP U-Pb ages of the granite porphyritic dykes in Donghua are 154.6 ± 1.1 Ma and 153.2 ± 1.2 Ma, respectively, indicating that the dykes were formed in the late Jurassic. The Rb-Sr geochronological age of hydrothermal/epithermal pyrite in Donghua is 153.7 ± 2.4 Ma, which is almost coeval with that of the granite porphyritic dykes within error, and consistent with the regional volcanic-magmatic activity and the metallogenic age of the regional metallogenic event. The granitic dykes in Donghua exhibit the characteristics of both A-type and I-type granitoids, thus indicating the presence of transitional geochemical characteristics. As a result of the subduction of the Pacific Plate towards the Eurasia, the ca. 154–153 Ma magmatic event in the Donghua area occurred at the beginning of large-scale delamination of the continental crust. The zoning distribution of the mineral alteration of chlorite, dickite, kaolinite, and gypsum, the interpretation of volcanic activity from the annular structure of hyperspectral remote sensing, and the inferred deep-seated intrusion emplacing from northwest to southeast are in agreement, thus displaying the volcano-magma-alteration mechanism developed in the Donghua area. The magmatism, dykes, faults, and Neoproterozoic metamorphic rock provide favorable advantages for the mineralization in Donghua, suggesting metallogenic potential. [ABSTRACT FROM AUTHOR]

• Co-inoculation of Z. rouxii and T. candida could inhibit BAs formation. • Inoculation of S. piscifermentans could further reduce BAs production. • Volatile compounds were enhanced after inoculation of S. piscifermentans. • Inoculation of S. piscifermentans altered the microflora in the soy sauce mash. With the increasing popularity of soy sauce containing high amounts of amino acid nitrogen (AAN) in China and the positive correlation of biogenic amines (BAs) with AAN, reducing BAs formation during soy sauce fermentation has become an urgent task. In this work, the effect of salt-tolerant yeasts and Staphylococcus piscifermentans on BAs formation was extensively studied. Combined inoculation for different osmotolerant yeast strains indicated that Z. rouxii CICC 1417 and T. candida CICC 1019 co-inoculation produced the lowest amount of BAs (89.43 mg/L). Furthermore, co-inoculation of soy sauce mash with S. piscifermentans and salt-tolerant yeasts reduced the BAs production by 31.51% under laboratory-scale experiments. Only 133.40 g/L BAs were produced after S. piscifermentans inoculation in 50-T fermentator, and this value was 63.25% lower than that of the control. Most of the alcohols, aldehydes, phenols, and esters were increased, whereas bacteria, such as Pediococcus , Weissella , and Streptococcus , were inhibited and thus reduced BAs formation. The increased abundance in Zygosaccharomyces and Pichia may contribute to the improvement in volatile compound production. These findings reveal the high potential of the co-inoculation of S. piscifermentans and salt-tolerant yeasts for soy sauce production with limited BAs formation. [ABSTRACT FROM AUTHOR]

The adsorption and migration behaviors of atoms/ions on the surface of infinite single-layer graphene are studied with the influence of surface corrugation taken into consideration. Based on Lennard-Jones (L-J) potential and Fourier expansion, the analytical expressions of the interaction potential and force between a single atom/ion and sinusoidal corrugated graphene are derived. The effects of lattice period, chirality, wavelength and amplitude of surface sinusoidal ripples on the mechanical behaviors of atom/ion adsorption and migration on graphene surface are analyzed. The interaction potential and force between the adsorbed atom/ion and graphene are found to be periodic when the lattice period of graphene and the wavelength of surface sinusoidal ripples meet a certain coupling relationship. Moreover, the periods of interaction potential and force, equilibrium position and diffusion barrier of the adsorbed atom/ion on the graphene surface can be regulated by changing the wavelength and amplitude of the sinusoidal ripples. Taking lithium-ion (Li1+) as an example, by changing the wavelength of the sinusoidal ripples, the equilibrium sites of a lithium-ion on the surface of graphene can be readjusted, and the magnitude and amount of the energy barriers that it gets over can be regulated when the lithium-ion moves along the surface of graphene. What is more, the amplitude of the sinusoidal ripples can significantly influence the tangential force exerted by the graphene on the moving lithium-ion. Finally, it is found that the migration of an adsorbed atom/ion on the surface of sinusoidal corrugated graphene is also dependent on the chirality of graphene. The magnitude and period of the energy barrier and tangential force are both different when a lithium-ion migrates on the graphene surface in its different chiral directions. This research may be helpful to lithium-ion batteries, monoatomic device design, and atoms/ions screening. Image 1 • The migration behaviors of atoms/ions on sinusoidal graphene surface are studied. • The interaction potential and force are periodic under a specified condition. • The periods can be regulated by changing the wavelength of sinusoidal ripples. • The amplitude of sinusoidal ripples can influence the migration tangential force. • The migration behavior of atoms/ions on graphene surface depends on its chirality. [ABSTRACT FROM AUTHOR]

• Al 0.71 CoCrFeNi near-eutectic high-entropy alloy was fabricated using LMD. • Al 0.71 mainly comprises FCC dendrites and lamellar FCC-BCC eutectic microstructure. • Both FCC phase and BCC phase in Al 0.71 alloy presented chaotic grain orientations. • The LMD Al 0.71 alloy can achieve a desirable balance of strength and plasticity. The microstructure and mechanical properties of a dual-phase near-eutectic high-entropy alloy Al 0.71 CoCrFeNi (Al 0.71) prepared by laser melting deposition (LMD) were investigated and compared with those of a single-phase FCC high-entropy alloy Al 0.38 CoCrFeNi (Al 0.38). The Al 0.71 consists of 65% FCC and 35% BCC phases, forming a near-eutectic microstructure that includes primary FCC dendrites with minor BCC precipitates, as well as a lamellar FCC-BCC eutectic microstructure. For Al 0.71 , the aluminum loss induced by evaporation during LMD process leads to a deviation from the intended eutectic composition. Both FCC and BCC phases in Al 0.71 display chaotic grain orientations, which can be attributed to the microstructural heterogeneity of the alloy and the complex temperature field generated by the reciprocating scanning during LMD process. The Al 0.71 achieved a desirable balance of strength and plasticity due to the synergetic strengthening effects of soft FCC phases and hard BCC phases. [ABSTRACT FROM AUTHOR]

Highly purified and uniformly distributed carbon nanotube (CNT) network is one of the key issues for developing advanced nanocomposites. However, the challenge for mitigation of the aggregation of CNT bundles during the CNT film fabrication still remained. In this work, debundling and reorganization of CNT bundles have been realized simultaneously by using a high-temperature thermal treatment. The debundling of large CNT bundles into small ones started after they were heat treated under 1400 °C and uniformly distributed CNT networks with small bundles were obtained after heat treated under 1800 °C. The tensile strength of the CNT film significantly increased by about 64% compared to the pristine film. Microstructural observations showed that the iron nanoparticles started to evaporate at 1400 °C and were completely removed at 1800 °C. Hollow amorphous carbon shells wrapped on the nanoparticles were left inside the CNT networks after the removal of the iron nanoparticles. Interestingly, these amorphous carbon shells act as carbon source for the deposition of a carbon layer on the CNT surface when the heat treatment temperature was up to 2000 °C, and they were completely consumed after being treated at 2800 °C. The microstructural evolution process of CNT bundles during heat treatment suggests the simple high-temperature treatment strategy could be applied for fabrication of highly purified CNT networks with well-distributed small bundles, enabling the development of advanced multifunctional nanocomposites in the near future. A high-temperature heat treatment is used to investigate the microstructure evolution and mechanical properties of CNT films. Benefiting from the high-purity and uniformly distributed CNT networks with small bundles after heat treated under 1800 °C, the tensile strength of the CNT film has significantly increased by ∼64% compared to the pristine film. When heat treated under 2800 °C, the hollow amorphous carbon shells are completely consumed and act as carbon source for deposition of carbon layer on the CNT surface. [Display omitted] • Debundling of large CNT bundles was observed after a high temperature treatment. • A regenerative carbon layer was deposited on CNT surface under high temperature. • The microstructural evolution of CNT networks under high temperature was proposed. [ABSTRACT FROM AUTHOR]

• In this paper, based on our research experience in this field and a survey of the development of crystalline Raman yellow lasers over the past two decades, the implementation methods, experimental results, and research progress of crystalline Raman yellow lasers in different fields and different types are briefly analyzed through typical work cases reported to date. It is a report on a comprehensive review of the field of crystalline Raman yellow lasers. Yellow light sources, emitting between 570 nm and 600 nm, are interesting for their potential in several application fields and are irreplaceable to a certain extent in certain characteristic domains. Therefore, it has been a research hotspot in the field of laser technology. A crystalline Raman yellow laser is an important approach to achieving yellow light sources. This paper focuses on an important branch of all-solid-state yellow laser, i.e. crystalline Raman yellow laser, and discusses its research progress in the past twenty years by summarizing a few classic works. The paper clarifies the implementation schemes of crystalline Raman yellow lasers for different application requirements, providing a reference for future research in this field. [ABSTRACT FROM AUTHOR]

CT-derived fractional flow reserve (CT-FFR) has been widely applied in coronary hemodynamic assessment. However, the feasieablity and standardization measurement in intracranial artery stenosis (ICAS) remains to be defined. To demonstrate the feasibility of CT-FFR in ICAS functional assessment and explore the optimal CT-FFR measurement position with invasive FFR as reference standard. Nineteen patients (mean age, 58.6 years ± 1.9 [SD]; 13 men) with moderate to severe (≥50 %) ICAS undergoing guidewire-based pressure measurement and preoperative head CT angiography (CTA) were retrospectively enrolled. CT-FFR was measured in the following standard measurement positions, including the end of stenosis (D0), 1 cm distal to the stenosis (D1) and 2 cm distal to the stenosis (D2). Diagnostic performance of CT-FFR was assessed by the area under the curve (AUC) of receiver operating characteristic curves by assuming invasive FFR ≤ 0.80 or 0.75 as hemodynamically significant stenosis. Excellent intra- and inter-observer agreement (ICC range, 0.930–0.992) was observed for CT-FFR measurement in different positions. Under different FFR thresholds, the diagnostic performance of CT-FFR D1 showed perfect prediction with AUC values of 1.000 (95 % CI: 0.824, 1.000). The sensitivity, specificity and AUC of CT-FFR D1 ≤ 0.80 in detecting FFR ≤ 0.80 was 0.94 (95 % CI: 0.68, 1.00), 1.00 (95 % CI: 0.31, 1.00) and 0.969 (95 % CI: 0.772, 1.000), respectively. Similar performance of CT-FFR D1 ≤ 0.75 was obtained for identifying FFR ≤ 0.75 with the AUC of 0.964. The strongest correlation (r = 0.915, p < 0.001) and agreement (mean difference: 0.02, 95 % limits of agreement: −0.16 to 0.19) were observed between CT-FFR D1 and FFR. Cerebral CT-derived fractional flow reserve (CT-FFR) measured 1 cm distal to stenosis achieved the most comparable results with invasive FFR, which indicated its potentially promising clinical application for evaluating the functional relevance of intracranial artery stenosis. [ABSTRACT FROM AUTHOR]