Synthesis and Structure Determination of SCM-15: A 3D Large Pore Zeolite with Interconnected Straight 12×12×10-Ring Channels

A new germanosilicate zeolite named SCM-15 (Sinopec Composite Material No. 15), the first zeolite containing a 3-dimensional (3D) channel system with interconnected 12-, 12-, and 10-ring channels (pore sizes: 6.1×7.2, 6.1×7.4, and 5.2×5.9 Å), has been synthesized using neutral 4-pyrrolidinopyridine as organic structure-directing agents (OSDAs). Its structure has been determined by combining single-crystal electron diffraction (SCED) and synchrotron powder X-ray diffraction (SPXD) data. The unique open framework structure of SCM-15 is related to that of FOS-5 ( BEC ), ITQ-7 ( ISV ), PKU-16 ( POS ), ITQ-26 ( IWS ), ITQ-21, Beta polymorph B, and SU-78B, since all these framework structures can be constructed from similar chains which are connected through shared 4-ring or double 4-ring (d4r) units. Based on this relation, six topologically reasonable 3D large or extra-large pore hypothetical zeolites are predicted.     

Modeling fatigue of ascending stair evacuation with modified fine discrete floor field cellular automata

Fatigue even increases the complexity of the pedestrian dynamics which is regarded as a kind of nonlinear system, and might have a significant negative impact on the crowd evacuation. However, it has never been investigated completely and properly. Thus, the fine discrete floor field cellular automata model is modified by integrating the fatigue function to explore the influence of fatigue on the crowd ascending evacuation. The simulation fits well with the empirical data and the observations quantitatively and qualitatively, indicating the model captures the main features of evacuation considering fatigue impact. As a prediction, without merging streams, compared with the case of walking in constant speed, when fatigue is considered, it takes 71.4% longer for all persons to enter the stairs and 87.2% longer to evacuate. With merging streams, fatigue has little impact on the inflow, while it makes the total evacuation time 84.2% longer.     

A self-penetrating and chemically stable zinc (ii)-organic framework as multi-responsive chemo-sensor to detect pesticide and antibiotics in water

Guided by the self-penetrating features can improve the stability of metal organic frameworks (MOFs), an unprecedented 3D self-penetrated framework, {[Zn (tptc)_0.5(bimb)]·H₂O}_n ( NUC-6 , here NUC corresponding to North University of China), with 3D (4,4)-c {8⁶} net, was designed. Benefit from the high chemical stability and excellent luminescent property, NUC-6 can be act as an efficient multi-response chemo-sensor in detecting dichloronitroaniline pesticide and nitrofuran antibiotics in water with the detection limits are 116 ppb for DCN pesticide, 16 ppb for NFT antibiotic, and 12 ppb for NTZ antibiotic. Besides, the mechanisms of luminescence quenching were revealed from the viewpoint of internal filter effect (IFE) and photo-induced electron transfer (PET), implied by the optical spectroscopy and quantum chemical calculation. This work provides a promising strategy to design stable MOFs by improving the self-penetrating features and to expand their practical applications in the detection of organic pollutants in aqueous medium.     

Tantalum Nitride Nanosheets for Photoacoustic Imaging-Guided Photothermal Cancer Therapy

In this study, the synthesis of TaN nanosheets and their application in theranostic agents is reported. After coating polyethylene glycol (PEG) on the TaN nanosheets, the as-synthesized PEG-modified TaN nanosheets (TaN-PEG) show good stability and biocompatibility. Because of their high absorbance in the near-IR region, TaN-PEG can be utilized as photoacoustic imaging contrast agents for tumor imaging. Moreover, TaN-PEG has significant photothermal conversion performance, exhibiting effective laser-induced tumor ablation capability. The TaN-PEG possessing excellent photoacoustic contrast effect and photothermal properties thus have great promise in theranostic applications, especially imaging-guided cancer treatment.     

On order-preserving and order-reversing mappings defined on cones of convex functions

In this paper,we first show that for a Banach space X,there is a fully order-reversing mapping T from conv(X)(the cone of all the extended real-valued lower semicontinuous proper convex functions defined on X) onto itself if and only if X is reflexive and linearly isomorphic to its dual X~*.Then we further prove the following generalized Artstein-Avidan-Milman representation theorem:For every fully order-reversing mapping T:conv(X)→conv(X),there exist a linear isomorphism U:X→X~*,x_0~*,φ_0∈X~*,α0 and r_0∈R so that(Tf)(x)=α(Ff)(Ux+x_0~*)+φ_0,x+r_0,■x∈X where T:conv(X)→conv(X~*) is the Fenchel transform.Hence,these resolve two open questions.We also show several representation theorems of fully order-preserving mappings defined on certain cones of convex functions.For example,for every fully order-preserving mapping S:semn(X)→ semn(X),there is a linear isomorphism U:X→ X so that(Sf)(x)=f(Ux),■f∈semn(X),x∈X where semn(X) is the cone of all the lower semicontinuous seminorms on X.     

Exploring the latest Pantheon SN Ia dataset by using three kinds of statistics techniques

In this work, we explore the cosmological consequences of the latest Type Ia supernova (SN Ia)dataset, Pantheon, by adopting the wCDM model. The Pantheon dataset currently contains the largest number of SN Ia samples, which contains 1048 supernovae on the redshift range0 z 2.3. Here we take into account three kinds of SN Ia statistics techniques, including:(1) magnitude statistics (MS), which is the traditional SN Ia statistics technique;(2) flux statistics(FS), which is based on the flux-averaging (FA) method; and (3) improved flux statistics (IFS),which combines the advantages of MS and FS. It should be mentioned that the IFS technique needs to scan the (zcut,Δz) parameters plane, where zcutandΔz are redshift cut-off and redshift interval of FA, respectively. The results are as follows.(1) Using the SN dataset only, the best FA recipe for IFS is (zcut,Δz)=(0.1, 0.08);(2) comparing to the old SN dataset, JLA, adopting the Pantheon dataset can reduce the 2σerror bars of equation of state w by 38%, 47%and 53%for MS, FS and IFS, respectively;(3) FS gives closer results to other observations, such as Baryon acoustic oscillations and cosmic microwave background;(4) compared with FS and IFS,MS more favors a Universe that will end in a ‘big rip’.     

Dynamic modeling,simulation and design of smart membrane systems driven by soft actuators of multilayer dielectric elastomers

Nonlinear Dynamics - A multilayer membrane element of absolute nodal coordinate formulation is proposed for dynamic modeling of multilayer dielectric elastomer actuators (DEAs). The coupled...     

铜铁镁三掺铌酸锂晶体的第一性原理研究

利用基于密度泛函理论的第一性原理,研究了Cu:Fe:Mg:LiNbO3晶体及对比组的电子结构和光学特性.研究显示,单掺铜或铁铌酸锂晶体的杂质能级分别由Cu 3d轨道或Fe 3d轨道贡献,禁带宽度分别为3.45和3.42 eV;铜、铁共掺铌酸锂晶体杂质能级由Cu和Fe的3d轨道共同贡献,禁带宽度为3.24 eV,吸收峰分别在3.01,2.53和1.36 eV处;Cu:Fe:Mg:LiNbO3晶体中Mg^2+浓度低于阈值或高于阈值(阈值约为6.0 mol%)的禁带宽度分别为2.89 eV或3.30 eV,吸收峰分别位于2.45 eV,1.89 eV或2.89 eV,2.59 eV,2.24 eV.Mg^2+浓度高于阈值,会使吸收边较低于阈值情况红移;并使得部分Fe^3+占Nb位,引起晶体场改变,从而改变吸收峰位置和强度.双光存储应用中可选取2.9 eV作为擦除光,2.5 eV作为读取和写入光,选取Mg^2+浓度达到阈值的三掺晶体在增加动态范围和灵敏度等参量以及优化再现图像的质量等方面更具优势.