Dynamic Crossover in Metallic Glass Nanoparticles

We report the dynamic crossover behavior in metallic glass nanoparticles(MGNs)with the size reduction based on the extensive molecular dynamics(MD)simulations combined with the activation-relaxation technique(ART).The fragile-to-strong transition of dynamics can be achieved by just modulating the characteristic size of MGNs.It can be attributed to the abnormal fast surface dynamics enhanced by the surface curvature.By determining the potential energy surface,we reveal the hierarchy-to-flat transition of potential energy landscape(PEL)in MGNs,and demonstrate the intrinsic flat potential landscape feature of the MGN with size smaller than a critical size.Our results provide an important piece of the puzzle about the size-modulated potential energy landscape and shed some lights on the unique properties of MGs in nanoscale.     

Raman scattering from highly-stressed anvil diamond

The high-frequency edge of the first-order Raman mode of diamond reflects the stress state at the culet of anvil, and is often used for the pressure calibration in diamond anvil cell(DAC) experiments. Here we point out that the high-frequency edge of the diamond Raman phonon corresponds to the Brillouin zone(BZ) center Γ point as a function of pressure. The diamond Raman pressure gauge relies on the stability of crystal lattice of diamond under high stress. Upon the diamond anvil occurs failure under the uniaxial stress(197 GPa), the loss of intensity of the first-order Raman phonon and a stressdependent broad Raman band centered at 600 cm^-1 are observed, which is associated with a strain-induced local mode corresponding to the BZ edge phonon of the L1 transverse acoustic phonon branch.     

An unexpected fluorescent probe for G-quadruplex DNA based on a nitro-substituted ruthenium (II) complex

The detection of G-quadruplex is of major interest. Nitro-substituted ruthenium (II) complexes have attracted much attention due to fluorescent sensitivity to environment change. We report here a new nitro-substituted ruthenium (II) complex, [Ru (phen)₂(hnoip)]²⁺ ( 1) (hnoip = 2-(2-hydroxyl-5-nitrophenyl)imidazo[4,5-f][1,10-phenanthroline]), which displays distinct fluorescent properties in aqueous solution and non-aqueous solvents. This complex exhibits large fluorescence enhancement after binding with G-quadruplex DNA, and displays good fluorescent selectivity over other DNAs. The limit of detection is 6 nm for 22AG in Na⁺ and 43 nm for 22AG in K⁺, respectively. The results demonstrated that nitro-substituted ruthenium (II) complexes can be utilized to design as G-quadruplex fluorescent probes by protection of the nitro group on the complex from water.     

Syntheses,Structures and Antitumor Activities of Tri(o-bromobenzyl)tin Diethyldithiocarbamate and Tri(m-fluorobenzyl)tin Pyrrolidine Dithiocarbamate

Tri(o-bromobenzyl)tin diethyldithiocarbamate(1) and tri(m-fluorobenzyl)tin pyrrolidine dithiocarbamate(2) have been synthesized and characterized by elemental analysis, IR spectroscopy, NMR(~1 H, ¹³C and ¹¹⁹Sn), thermogravimetric analysis and single-crystal X-ray diffraction. The two complexes crystallize in the triclinic system space group P1. For complex 1, a = 0.9770(1), b = 1.1011(1), c = 1.4583(1) nm, α = 78.431(1)°, β = 86.307(1)°, γ = 69.712(1)°, V = 1.4417(2) nm^3, Z = 2, Dc = 1.790 g/cm^3, m(Mo Kα) = 52.04 cm–1, F(000) = 756, R = 0.0434 and wR = 0.0593. For complex 2, a = 0.7055(1), b = 1.3349(3), c = 1.3782(3) nm, α = 89.216(2)°, β = 82.044(2)°, γ = 84.637(2)°, V = 1.2799(5) nm^3, Z = 2, Dc = 1.537 g/cm^3, m(Mo Kα) = 11.98 cm^–1, F(000) = 596, R = 0.0313 and wR = 0.0333. The two complexes represent mononuclear structures with five-coordinated [SnC3S2] cores forming a distorted trigonal bipyramid. The quantum chemical calculations of 1 and 2 have been investigated. The antitumor activity shows that 1 and 2 have higher activities than cisplatinum against Colo205, HepG2, MCF-7, Hela and H460 cell line in vitro.     

Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be,Mg, Pb,Zn, Cd)

The enhancement mechanism of birefringence is very important to modulate optical anisotropy and materials design. Herein, the different cations extending from alkaline-earth to alkaline-earth, d¹⁰ electron configuration, and 6s² lone pair cations are highlighted to explore the influence on the birefringence. A flexible fluorooxoborate framework from AEB₄O₆F₂ (AE=Ca, Sr) is adopted for UV/deep-UV birefringent structures, namely, M^IIB₄O₆F₂ (M^II=Be, Mg, Pb, Zn, Cd). The maximal enhancement on birefringence can reach 46.6 % with the cation substitution from Ca, Sr to Be, Mg (route-I), Pb (route-II), and Zn, Cd (route-III). The influence of the cation size, the stereochemically active lone pair, and the binding capability of metal cation polyhedra is investigated for the hierarchical improvement on birefringence. Significantly, the BeB₄O₆F₂ structure features the shortest UV cutoff edge 146 nm among the available anhydrous beryllium borates with birefringence over 0.1 at 1064 nm, and the PbB₄O₆F₂ structure has the shortest UV cutoff edge 194 nm within the reported anhydrous lead borates that hold birefringence larger than 0.1 at 1064 nm. This work sheds light on how metal cation polyhedra modulate birefringence, which suggests a credible design strategy to obtain desirable birefringent structures by cation control.     

Fluoranthene removal in aqueous phase by Fe(II) activated sodium percarbonate: mechanisms and degradation pathways

Research on Chemical Intermediates - In this study, the removal performance and degradation mechanisms of fluoranthene (FLT) in sodium percarbonate (SPC) activated by Fe(II) system were...     

Palladium Nanoparticles/Graphdiyne Oxide Nanocomposite with Excellent Peroxidase-like Activity and Its Application for Glutathione Detection

In this study, palladium nanoparticles loaded graphdiyne oxide (Pd/GDYO) nanocomposite were fabricated by in-situ reduction of palladium chloride in the dispersion of GDYO, and characte-rized by Raman spectra, transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy. The synthesized Pd/GDYO was first found to have catalytic activities similar to those of the peroxidase enzyme, which can catalyze the oxidation of peroxidase substrate 3,3',5,5'-tetramethylbenzidine(TMB) in the presence of hydrogen peroxide(H₂O₂). Steady-state kinetic studies showed that the catalytic reaction of Pd/GDYO follows a ping-pong mechanism, and Pd/GDYO has a stronger activity to TMB with a Michaelis constant(K_m) value of 5.32×10^-4 mmol/L. Based on the shielding effect of glutathione(GSH) on the Pd/GDYO-H₂O₂-TMB reaction system, a colorimetric detection method for GSH was deve-loped with a wide linear range from 0.1 μmol/L to 40 μmol/L and a limit of detection of 0.1 μmol/L. The method was successfully applied for fast and accurate detection of GSH in injection powder drugs. It was expected that this peroxidase-like Pd/GDYO nano- composite would have wide applications in the fields of biomedicine and environmental chemistry.     

In situ synthesis of silver nanoparticles on dialdehyde cellulose as reliable SERS substrate

Cellulose - Dialdehyde cellulose (DAC) has considerable potential as an effective metal nanoparticle support material for the preparation of highly sensitive SERS substrates. In this study, a SERS...     

Fundamental kinematics laws of interstitial fluid flows on vascular walls

In the previous studies, the phenomenon that the interstitial fluid(ISF) can flow along tunica adventitia of the arteries and veins in both human and animal bodies was reported. On the basis of these studies, this paper aims to:(i) summarize the basic properties of the ISF flows in the walls of arteries and veins,(ii) combine the basic properties with axiomaticism and abstract the axiom for ISF flows, and(iii) propose three fundamental laws of the ISF flow,(i.e., the existence law, the homotropic law and the reverse law). The three laws provide solid theoretical basement for exploring the kinematic patterns of interstitial fluid flow in the cardiovascular system.     

直拉单晶炉加热系统的优化设计与分析

降低单晶硅电池的生产成本,是提高光伏产业效益的关键。在等径拉晶过程中,采用分段加热可以减少加热器的输出功率,降低加热系统的能耗。本文在分析单晶硅拉晶过程中加热区域及能耗的基础上,提出细分加热器结构改进加热电路对单晶炉加热系统进行优化。实验设计了两段加热和三段加热两种模型(即方案1和方案2),并分别将其导入有限元仿真软件进行模拟实验。结果表明,两段加热对拉晶过程的影响较大,三段加热对拉晶过程的影响较小,后者更能保证拉晶过程的稳定进行。能耗计算发现,前者能耗降低为6.98％,而后者能耗降低达到了9.49％。因此,采用三段加热的优化设计更有利于降低光伏企业的生产成本。