Fluorescent Double Network Hydrogels with Ionic Responsiveness and High Mechanical Properties for Visual Detection

We developed a fluorescent double network hydrogel with ionic responsiveness and high mechanical properties for visual detection.The nanocomposite hydrogel of laponite and polyacrylamide serves as the first network,while the ionic cross-linked hydrogel of terbium ions and sodium alginate serves as the second network.The double-network structure,the introduction of nanoparticles and the reversible ionic crosslinked interactions confer high mechanical properties to the hydrogel.Terbium ions are not only used as the ionic cross-linked points,but also used as green emitters to endow hydrogels with fluorescent properties.On the basis of the “antenna effect” of terbium ions and the ion exchange interaction,the fluorescence of the hydrogels can make selective responses to various ions(such as organic acid radical ions,transition metal ions) in aqueous solutions,which enables a convenient strategy for visual detection toward ions.Consequently,the fluorescent double network hydrogel fabricated in this study is promising for use in the field of visual sensor detection.

Refinement of Adaptive Dynamical Simulation of Quantum Mechanical Double Slit Interference Phenomenon

We applied adaptive dynamics to double slit interference phenomenon using particle model and obtained partial successful results in our previous report. The patterns qualitatively corresponded well with experiments. Several properties such as concave single slit pattern and large influence of slight displacement of the emission position were different from the experimental results. In this study we tried other slit conditions and obtained consistent patterns with experiments. We do not claim that the adaptive dynamics is the principle of quantum mechanics, but the present results support the probability of adaptive dynamics as the candidate of the basis of quantum mechanics. We discuss the advantages of the adaptive dynamical view for foundations of quantum mechanics.

Mechanism of Excited State Double Proton Transfer in 2-Amino-3-Methoxypyridine and Acetic Acid Complex

The excited-state double-proton transfer （ESDPT） mechanism of 2-amino-3-methoxypyridine and acetic acid com- plex is studied by the density functional theory （DFT） and time-dependent DFT with CAM-B3LYP functional. The complex is connected through two different types of inter-molecular hydrogen bonds. After photo-excitation, both hydrogen bonds get strengthened, which can facilitate the ESDPT reaction. The scanned potential energy curve along the proton transfer coordinate indicates that the ESDPT reaction proceeds in a stepwise pattern.

Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer(ESDPT)in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol(HYDRAVH_(2))ligand was studied by the density functional theory and time-dependent density functional theory method.The analysis of frontier molecular orbitals,infrared spectra,and non-covalent interactions have crossvalidated that the asymmetric structure has an influence on the proton transfer,which makes the proton transfer ability of the two hydrogen protons different.The potential energy surfaces in both S_(0)and S_1 states were scanned with varying O-H bond lengths.The results of potential energy surface analysis adequately proved that the HYDRAVH_(2)can undergo the ESDPT process in the S_1 state and the double proton transfer process is a stepwise proton transfer mechanism.Our work can pave the way towards the design and synthesis of new molecules.

A theoretical study of the signal enhancement mechanism of coaxial DP-LIBS

In the field of dual-pulse laser-induced breakdown spectroscopy(DP-LIBS)research,the pursuit of methods for determining pulse intervals and other parameters quickly and conveniently in order to achieve optimal spectral signal enhancement is paramount.To aid researchers in identification of optimal signal enhancement conditions and more accurate interpretation of the underlying signal enhancement mechanisms,theoretical simulations of the spatiotemporal processes of coaxial DP-LIBS-induced plasma have been established in this work.Using a model based on laser ablation and two-dimensional axisymmetric fluid dynamics,plasma evolutions during aluminum–magnesium alloy laser ablation under single-pulse and coaxial dualpulse excitations have been simulated.The influences of factors,such as delay time,laser fluence,plasma temperature,and particle number density,on the DP-LIBS spectral signals are investigated.Under pulse intervals ranging from 50 to 1500 ns,the time evolutions of spectral line intensity,dual-pulse emission enhancement relative to the single-pulse results,laser irradiance,spatial distribution of plasma temperature and species number density,as well as laser irradiance shielded by plasma have been obtained.The study indicates that the main reason behind the radiation signal enhancement in coaxial DP-LIBS-induced plasma is attributed to the increased species number density and plasma temperature caused by the second laser,and it is inferred that the shielding effect of the plasma mainly occurs in the boundary layer of the stagnation point flow over the target surface.This research provides a theoretical basis for experimental research,parameter optimization,and signal enhancement tracing in DP-LIBS.

Mass transfer mechanism and relationship of gas–liquid annular flow in a microfluidic cross-junction device

Mass transfer performance of gas–liquid two-phase flow at microscale is the basis of application of microreactor in gas–liquid reaction systems.At present,few researches on the mass transfer property of annular flow have been reported.Therefore,the mass transfer mechanism and relationship of gas–liquid annular flow in a microfluidic cross-junction device are studied in the present study.We find that the main factors,i.e.,flow pattern,liquid film thickness,liquid hydraulic retention time,phase interface fluctuation,and gas flow vorticity,which influence the flow mass transfer property,are directly affected both by gas and liquid flow velocities.But the influences of gas and liquid velocities on different mass transfer influencing factors are different.Thereout,the fitting relationships between gas and liquid flow velocities and mass transfer influencing factors are established.By comparing the results from calculations using fitting equations and simulations,it shows that the fitting equations have relatively high degrees of accuracy.Finally,the Pareto front,namely the Pareto optimal solution set,of gas and liquid velocity conditions for the best flow mass transfer property is obtained using the method of multi-objective particle swarm optimization.It is proved that the mass transfer property of the gas–liquid two-phase flow can be obviously enhanced under the guidance of the obtained Pareto optimal solution set through experimental verification.

Ammonia borane-enabled hydrogen transfer processes:Insights into catalytic strategies and mechanisms

Transfer hydrogenation(TH) with in situ generated hydrogen donor is of great importance in reduction reactions, and an alternative strategy to traditional hydrogenation processes involving pressurized molecular hydrogen. Ammonia borane(NH3BH3, AB) is a promising material of hydrogen storage, and it has attracted much attention in reductive organic transformations owing to its high activity, good atom economy, nontoxicity, sustainability, and ease of transport and storage. This review focuses on summarizing the recent progress of AB-mediated TH reactions of diverse substrates including nitro compounds, nitriles, imines, alkenes, alkynes, carbonyl compounds(ketones and aldehydes), carbon dioxide,and N-and O-heterocycles. Syntheses protocols(metal-containing and metal-free), the effect of reaction parameters, product distribution, and variation of reactivity are surveyed, and the mechanism of each reaction involving the action mode of AB as well as structure-activity relationships is discussed in detail. Finally, perspectives are presented to highlight the challenges and opportunities for AB-enabled TH reactions of unsaturated compounds.

Influence of the Inclination Angle on Mixed Convection and Heat Transfer in a“T”Shaped Double Enclosure

The effect of the tilt angle on mixed convection and related heat transfer in a“T”shaped double enclosure with four heated obstacles on the bottom surface is numerically investigated.The considered obstacles are constantly kept at a relatively high(fixed)temperature,while the cavity’s upper wall is cooled.The finite volume approach is used to solve the mass,momentum,and energy equations with the SIMPLEC algorithm being exploited to deal with the pressure-velocity coupling.Emphasis is put on the influence of the tilt angle on the solution symmetry,flow structure,and heat exchange through the walls.The following parameters and related ranges are considered:Rayleigh number 104≤Ra≤5.105,tilt angle 0°≤φ≤90°,Reynolds number 100≤Re≤1000,Prandtl number Pr=0.72,block height B=0.5,opening width C=0.15,and distance between blocks D=0.5.The results reveal different branches of solutions on varying Re andφ.They also show that the symmetry of the solution regarding the P_(2)axis is retained for all cases with no tilt and for values of Re between 100 and 1000.

Double deck bridge behavior and failure mechanism under seismic motions using nonlinear analyzes

This paper investigates the behavior and the failure mechanism of a double deck bridge constructed in China through nonlinear time history analysis. A parametric study was conducted to evaluate the influence of different structural characteristics on the behavior of the double deck bridge under transverse seismic motions, and to detect the effect of bi- directional loading on the seismic response of this type of bridge. The results showed that some characteristics, such as the variable lateral stiffness, the foundation modelling, and the longitudinal reinforcement ratio of the upper and lower columns of the bridge pier bents have a major impact on the double deck bridge response and its failure mechanism under transverse seismic motions. It was found that the soft story failure mechanism ：is not unique to the double deck bridge and its occurrence is related to some conditions and structural characteristics of the bridge structure. The analysis also showed that the seismic vulnerability of the double deck bridge under bi-directional loading： was severely increased compared to the bridge response under unidirectional transverse loading, and out-of-phase movements were triggered between adjacent girders.

Mathematical Model and Geometrical Model of Double Pitch ZN-type Worm Gear Set Based on Generation Mechanism

The current researches on the tooth surface mathematical equations and the theory of gearing mainly pay attention to the ordinary type worm gear set（e.g., ZN, ZA, or ZK）. The research of forming mechanism and three-dimensional modeling method for the double pitch worm gear set is not enough. So there are some difficulties in mathematical model deducing and geometry modeling of double pitch ZN-type worm gear set based on generation mechanism. In order to establish the mathematical model and the precise geometric model of double pitch ZN-type worm gear set, the structural characteristics and generation mechanism of the double pitch ZN-type worm gear set are investigated. Mathematical model of the ZN-type worm gear set is derived based on its generation mechanism and the theory of gearing. According to the mathematical model of the worm gear set which has been developed, a geometry modeling method of the double pitch ZN-type worm and worm gear is presented. Furthermore, a geometrical precision calculate method is proposed to evaluate the geometrical quality of the double pitch worm gear set. As a result, the maximum error is less than 6′10–4 mm in magnitude, thus the model of the double pitch ZN-type worm gear set is available to meet the requirements of finite element analysis and engineering application. The derived mathematical model and the proposed geometrical modeling method are helpful to guiding the design, manufacture and contact analysis of the worm gear set.

DOUBLE SYNERGISTIC EFFECTS AND EXTRACTION KINETICS OF A MICELLE MIXED EXTRACTANT SYSTEM I DOUBLE(KINETIC AND THERMODYNAMIC)SYNERGISTIC EFFECTS AND EXTRACTION MECHANISMS

The equilibria and kinetic characteristics of a micelle mixed extractant system-D2 EHPA-MPA（MPA-monoalkyl phosphoric acid with long carbon chain and micellization）in extractionof the Al3+ions were studied.It was found that the system has double synergistic effects on theextraction of the Al3+ions.The compositions of the synergistic complexes were determined andthe synergistic reaction equations were obtained.

Preparation, Structure, Photoluminescence and Energy Transfer Mechanism of a Novel Holmium Complex

A novel holmium complex [Ho(HIA)_2(H_2O)_4(NO_3)](NO_3)_2(1, HIA = isonicotinic acid) has been synthesized through hydrothermal reactions and characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the C2/c space group of monoclinic system: a = 14.4797(7), b = 12.4768(2), c = 13.3471(5) ?, β = 118.690(4)°, V = 2115.26(13) ?~3, C_(12)H_(16)HoN_5O_(17), Mr = 667.23, Z = 4, Dc = 2.095 g/cm^3, μ(Mo Kα) = 3.838 mm^(–1) and F(000) = 1304. The crystal structure of 1 is characterized by an isolated structure. Solid-state photoluminescence experiment uncovers that it shows yellow light emission. The emission bands are originated from the characteristic emission of the 4 f electrons intrashell transition of the ~5S_2 → ~5I_8 and ~5F_5 → ~5I_8 of the Ho^(3+) ions. Energy transfer mechanism is explained by the energy level diagram of the Ho3+ ion and the isonicotinic acid ligand. It has remarkable CIE chromaticity coordinates of(0.4929, 0.4632), so it may be a promising color converter for lighting and displays.

Mechanism of Metal Transfer in DE-GMAW

Modification of conventional gas metal arc welding （GMAW） process is of great potential to achieve high productivity with low cost and strong usability. Double-Electrode GMAW （DE-GMAW） is such a modified arc welding process which is formed by adding a bypass torch （gas tungsten arc welding torch） to a conventional GMAW system. The mechanism of metal transfer in DE-GMAW was proposed and verified in this paper. Experiments show that the critical current is decreased so that spray transfer can be obtained at a lower current level in DE-GMAW. Analysis of this significant change in metal transfer phenomena is conducted, and explanation is given out. It is found that the bypass arc in DE-GMAW lifts the anode point on the droplets such that the electromagnetic force becomes larger and squeezes the droplets so that spray transfer can take place under welding current lower than that in conventional GMAW.

A Double Network Hydrogel with High Mechanical Strength and Shape Memory Properties

Double network(DN)hydrogels as one kind of tough gels have attracted extensive at-tention for their potential applications in biomedical and load-bearing fields.Herein,we import more functions like shape memory into the conventional tough DN hydro-gel system.We synthesize the PEG-PDAC/P(AAm-co-AAc)DN hydrogels,of which the first network is a well-defined PEG(polyethylene glycol)network loaded with PDAC(poly(acryloyloxyethyltrimethyl ammonium chloride))strands,while the second network is formed by copolymerizing AAm(acrylamide)with AAc(acrylic acid)and cross-linker MBAA(N;N′-methylenebisacrylamide).The PEG-PDAC/P(AAm-co-AAc)DN gels exhibits high mechanical strength.The fracture stress and toughness of the DN gels reach up to 0.9 MPa and 3.8 MJ/m^3,respectively.Compared with the conventional double network hydrogels with neutral polymers as the soft and ductile second network,the PEG-PDAC/P(AAm-co-AAc)DN hydrogels use P(AAm-co-AAc),a weak polyelectrolyte,as the second network.The AAc units serve as the coordination points with Fe^3+ions and physically crosslink the second network,which realizes the shape memory property activated by the reducing ability of ascorbic acid.Our results indicate that the high mechanical strength and shape memory properties,probably the two most important characters related to the potential application of the hydrogels,can be introduced simultaneously into the DN hydrogels if the functional monomer has been integrated into the network of DN hydrogels smartly.

Building the Pharmacophore Model of HIV-1 Integrase Strand Transfer Inhibitors and Studying Their Inhibition Mechanism

The replication of HIV-1 requires the integration of its cyclic DNA into host DNA by HIV-1 integrase （IN）, which includes two important reactions, 3＇-processing and strand transfer, both catalyzed by HIV-1 IN. Disrupting either of the reactions will fulfill the purpose of inhibiting the replication of HIV-1. In this paper, pharmacophore modeling and molecular docking are employed to investigate the inhibition mechanism of the HIV-1 IN strand transfer inhibitors （INSTIs）. Based on the results, we suggest that the inhibition mechanism of INSTIs involves the inhibitor chelating the cofactors Mg2＋ and its forming hydrogen bonds with some crucial residues adjacent to the DDE active center.

Upconversion Photoluminescence and Energy Transfer Mechanism of a Novel Terbium-mercury Compound

A novel terbium-mercury complex [Tb(IA)3(H3 O)2]2 n(2 n HgCl4)(n Hg2 Cl5)·n H3 O· 3 n H2 O(1, HIA = isonicotinic acid) has been synthesized through hydrothermal reactions and characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the C2/c space group of monoclinic system with a = 24.2347(5), b = 20.8342(6), c = 15.3206(3) ?, β = 128.257(2)°, V = 6074.3(2) ?3, C36H41Cl13Hg4N6O20Tb2, Mr = 2458.80, Z = 4, Dc = 2.689 g/cm3, μ(Mo Kα) = 13.014 mm–1 and F(000) = 4520. The crystal structure of 1 is characterized by a one-dimensional(1-D) chain-like structure. Solid-state UV/Vis diffuse reflectance spectrum reveals the existence of a wide optical band gap of 3.36 eV. Solid-state photoluminescence experiment uncovers that it shows reddish brown upconversion emission. The emission bands are originated from the characteristic emission of the 4 f electrons intrashell transition of the 5D4 → 7 FJ(J = 6, 5, 4) of the Tb3+ ions. Energy transfer mechanism is explained by the energy level diagram of the Tb3+ ion and the isonicotinic acid ligand. It shows a remarkable CIE chromaticity coordinates(0.4158, 0.4005).

Mechanical performance and texture characteristic of an IF steel containing Nb and Ti by double cold rolling

Single cold rolling and double cold rolling were applied to hot rolled strips with different reduction ratios. The evolutions of { 100}, { 111} and Goss face texture during double rolling were investigated by comparing the orientation distribution function （ODF） of the double rolled sample with that of the single rolled one. The double cold rolling texture is characterized by a higher γ-texture and a lower α-texture, and the { 111}〈112〉 component is improved remarkably. Based on the TEM observation and mechanical properties test, it is found that the reduction ratio assignment significantly affects the texture variation, as-annealing microstructures, and properties of the double cold rolled samples. These results may provide a theoretical guide for the industrial production of double cold rolled IF steel.

Continuously transferring cold atoms in caesium double magneto-optical trap

We have established a caesium double magneto-optical trap （MOT） system for cavity-QED experiment, and demonstrated the continuous transfer of cold caesium atoms from the vapour-cell MOT with a pressure of - 1 × 10^-6 Pa to the ultra-high-vacuum （UHV） MOT with a pressure of - 8 × 10^-8 Pa via a focused continuous-wave transfer laser beam. The effect of frequency detuning as well as the intensity of the transfer beam is systematically investigated, which makes the transverse cooling adequate before the atoms leak out of the vapour-cell MOT to reduce divergence of the cold atomic beam. The typical cold atomic flux got from vapour-cell MOT is - 2 × 10^7 atoms/s. About 5 × 10^6 caesium atoms are recaptured in the UHV MOT.