Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

基于耦合声场建模的膨胀腔消声器声学性能分析及试验

针对圆柱形膨胀腔消声器三维建模及声学性能分析问题, 提出一种基于切比雪夫变分原理的耦合声场建模方法, 建立三维圆柱形膨胀腔消声器理论模型并搭建试验台架, 传递损失试验结果验证了理论模型的准确性. 将膨胀腔消声器内部声场分解为多个子声场, 基于子声场间压力与质点振速连续性条件, 推导声场耦合变分公式, 构建子声场拉格朗日泛函. 将子声场声压函数展开为切比雪夫-傅里叶级数形式, 通过瑞利-里兹法求解膨胀腔消声器频率、声压响应及传递损失. 计算并对比分析扩张比、扩张腔长度、进出口管偏置对膨胀腔消声器消声性能的影响. 结果表明: 扩张比增大会有效提高消声器在低频段的消声性能, 进出口管的偏置对消声器消声性能影响很小.     

Fully Piecewise Linear Vector Optimization Problems

Journal of Optimization Theory and Applications - We distinguish two kinds of piecewise linear functions and provide an interesting representation for a piecewise linear function between two normed...     

Preparation and Properties of Sr3B2O6:Dy3+, Eu3+ White Phosphors Using the High-Temperature Solid-State Method

Journal of Applied Spectroscopy - Sr3B2O6:Dy3+, Eu3+ single-matrix white-light-emitting materials are prepared using the high-temperature solid-state method. The microstructure, emission spectrum,...     

A New Sufficient Degree Condition for a Graphic Sequence to Be Forcibly k-Edge-Connected

A graphic sequence π =(d₁, d₂,..., d_n) is said to be forcibly k-edge-connected if every realization of π is k-edge-connected. In this paper, we obtain a new sufficient degree condition for π to be forcibly k-edgeconnected. We also show that this new sufficient degree condition implies a strongest monotone degree condition for π to be forcibly 2-edge-connected and a conjecture about a strongest monotone degree condition for π to be forcibly 3-edge-connected due to...     

CCSD(T) study on the structures and chemical bonds of AnO molecules (An = Bk–Lr)

The molecular geometries and dissociation energies of AnO (An = Bk–Lr) molecules were first obtained at thecoupled-cluster single-, double-, and perturbative triple-excitations [CCSD(T)] level of theory. Four hybrid functionals,B3LYP, M06-2X, TPSSh, and PBE0, were also employed in the calculations for the sake of comparison. In comparison ofthe CCSD(T) results, B3LYP, TPSSh, and PBE0 functionals can obtain more appropriate results than M06-2X and MP2.The analyses on molecular orbitals show that the 7s, 6d, and 5f atomic orbitals of actinide (An) atoms participate in thebonding of An–O bonds. The partial covalent nature between An and O atoms is revealed by QTAIM analyses.     

Topical application of zein-silk sericin nanoparticles loaded with curcumin for improved therapy of dermatitis

Atopic dermatitis is characterized by leukocyte migration into the skin dermis and typically driven by excessive chemokine production at the site of inflammation. Conventional topical formulations such as gels, creams, and ointments are insufficient for this treatment because of low penetration of drug molecules into the targeted skin tissues. Herein, using a simple, green, sustainable strategy, we have developed novel primary zein nanoparticles embedded in curcumin (Cur) and coated with silk sericin (ZHSCs) for the topical delivery of Cur to penetrate into the dermis and exercise anti-dermatitis effects on the lesion with minimal side-effects. Transdermal delivery experiments and porcine skin fluorescence imaging indicated that ZHSCs facilitate the penetration of Cur across the epidermis layer of skin to reach deep-seated sites. Notably, ZHSCs = 1:0.25 (zein-to-silk sericin mass ratios of 1:0.25) markedly elevated the skin permeability and cumulative turnover of Cur transferred, which were provided a greater than a 3.8-fold increase relative to free Cur. The special nanoparticles of ZHS = 1:0.25 possessed the deepest localization depth and experience a transition of the particle structure and core-shell separation after penetrating into the dermis of skin. In a cell model of dermatitis induced by tumor necrosis factor α/interferon γ co-stimulation, compared with free Cur, Cur-loaded ZHS nanoparticles down-regulated the generation of inflammatory cytokines and chemokines in keratinocytes through suppression of the nuclear translocation of NF-κBp65 and hence exerted an anti-dermatitis effect. This strategy may provide new avenues and direction for the demanding issues of valid topical delivery systems.     

Vortex lattices in a spin-orbit coupled binary Bose-Einstein condensates with dipolar interaction

International Journal of Theoretical Physics - We consider the stationary state of a spin-orbit coupled (SOC) binary Bose-Einstein condensates with dipole-dipole interaction (DDI). Our results are...     

Design of diamond-shape photonic crystal fiber polarization filter based on surface plasma resonance effect

A novel plasmonic polarization filter based on the diamond-shape photonic crystal fiber(PCF) is proposed. The resonant coupling characteristics of the PCF polarization filter are investigated by the full-vector finite-element method. By optimizing the geometric parameters of the PCF, when the fiber length is 5 mm, the polarization filter has a bandwidth of 990 nm and an extinction ratio(ER) of lower than -20 dB. Moreover, a single wavelength polarization filter can also be achieved, along with an ER of -279.78 dB at wavelength 1.55 μm. It is believed that the proposed PCF polarization filter will be very useful in laser and optical communication systems.     

Fabricating Dual-Atom Iron Catalysts for Efficient Oxygen Evolution Reaction: A Heteroatom Modulator Approach

Understanding the thermal aggregation behavior of metal atoms is important for the synthesis of supported metal clusters. Here, derived from a metal–organic framework encapsulating a trinuclear Fe^III₂Fe^II complex (denoted as Fe₃) within the channels, a well-defined nitrogen-doped carbon layer is fabricated as an ideal support for stabilizing the generated iron nanoclusters. Atomic replacement of Fe^II by other metal(II) ions (e.g., Zn^II/Co^II) via synthesizing isostructural trinuclear-complex precursors (Fe₂Zn/Fe₂Co), namely the “heteroatom modulator approach”, is inhibiting the aggregation of Fe atoms toward nanoclusters with formation of a stable iron dimer in an optimal metal–nitrogen moiety, clearly identified by direct transmission electron microscopy and X-ray absorption fine structure analysis. The supported iron dimer, serving as cooperative metal–metal site, acts as efficient oxygen evolution catalyst. Our findings offer an atomic insight to guide the future design of ultrasmall metal clusters bearing outstanding catalytic capabilities.