La2O3对SiO2-CaO-Al2O3-MgO熔体黏度和结构的影响

使用分析纯物质模拟微晶玻璃熔体，分别采用柱体旋转法和拉曼光谱技术研究了La2O3含量对SiO2-CaO-Al2O3-MgO熔体黏度和结构的影响规律。结果表明：熔体黏度和黏流活化能随着La2O3含量的增加而降低；拉曼光谱表明La2O3能破坏硅酸盐结构（Qn），随着La2O3含量的增加，Q1、Q2的百分含量增加，Q3的百分含量减小，Q0的百分含量基本不变，表明熔体中非桥氧数量增加，熔体聚合度降低。La2O3在熔体中起网络修饰体的作用。     

Annealing temperature dependent structural and optical properties of electrodeposited CdSe thin films

Cadmium selenide films were synthesized using simple electrodeposition method on indium tin oxide coated glass substrates. The synthesized films were post annealed at 200 °C, 300 °C and 400 °C. X-ray diffraction of the films showed the hexagonal structure with crystallite size <3 nm for as deposited films and 3–25 nm for annealed films. The surface morphology of films using field emission scanning electron microscopy showed granular surface. The high resolution transmission electron microscopy of a crystallite of the film revealed lattice fringes which measured lattice spacing of 3.13 Å corresponding to (002) plane, indicating the lattice contraction effect, due to small size of CdSe nanocrystallite. The calculation of optical band gap using UV–visible absorption spectrum showed strong red-shift with increase in crystallite size, indicating to the charge confinement in CdSe nanocrystallite.     

Micro-structural study of Yaozhou celadons (Tang to Yuan Dynasty): probing crystalline and glassy phases

The Yaozhou kiln complex is a representative production center of ancient northern China, famous for the celadon production. In this work, bubbles, glassy matrix and residual crystals of celadon glazes produced from the Tang to Yuan Dynasty were analyzed by using optical microscopy, Raman spectroscopy and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS). The results revealed that the Song, Jin and Yuan productions present bigger bubble and higher area ratios of the Si-O bending over stretching modes than the Tang and Wudai productions. This is consistent with firings at higher temperatures during Song, Jin and Yuan Dynasties. It is also in agreement with the historical studies, which revealed the change from wood-firing to coal-firing during Song Dynasty. The observation of calcium phosphate in Yaozhou productions indicated that the glaze ash had been used. No iron-based particle was identified by Raman spectroscopy in the glazes of all periods. The green color is certainly due to iron ion dispersed in the glassy matrix. Our study also confirmed no significant change in glaze raw materials used for Yaozhou productions from Tang to Yuan Dynasty.     

High-resolution FIB-TEM-STEM structural characterization of grain boundaries in the high dielectric constant perovskite CaCu3Ti4O12

In this work, the grain boundaries composition of the polycrystalline CaCu₃Ti₄O₁₂ (CCTO) was investigated. A Focused Ion Beam (FIB)/lift-out technique was used to prepare site-specific thin samples of the grain boundaries interface of CCTO ceramics. Scanning transmission electron microscopy (STEM) coupled with energy dispersive X-ray spectrometry (EDXS) and Electron Energy Loss Spectroscopy (EELS) systems were used to characterize the composition and nanostructure of the grain and grain boundaries region. It is known that during conventional sintering, discontinuous grain growth occurs and a Cu-rich phase appears at grain boundaries. This Cu-rich phase may affect the final dielectric properties of CCTO but its structure and chemical composition remained unknown. For the first time, this high-resolution FIB-TEM-STEM study of CCTO interfacial region highlights the composition of the phases segregated at grain boundaries namely CuO, Cu₂O and the metastable phase Cu₃TiO_4.     

Damage identification in concrete using impact non-linear reverberation spectroscopy

High amplitude non-linear acoustic methods have shown potential for the identification of micro damage in brittle materials such as concrete. Commonly, these methods evaluate a non-linearity parameter from the relative change in frequency and attenuation with strain amplitude. Here, a novel attenuation model is introduced to describe the free reverberation from a standard impact resonance frequency test, together with an algorithm for estimating the unknown model coefficients. The non-linear variation can hereby by analyzed over a wider dynamic range as compared to conventional methods. The experimental measurement is simple and fully compatible with the standardized free-free linear impact frequency test.     

Cell-Free Synthesis of Selenoproteins in High Yield and Purity for Selective Protein Tagging

The selenol group of selenocysteine is much more nucleophilic than the thiol group of cysteine. Selenocysteine residues in proteins thus offer reactive points for rapid post-translational modification. Herein, we show that selenoproteins can be expressed in high yield and purity by cell-free protein synthesis by global substitution of cysteine by selenocysteine. Complete alkylation of solvent-exposed selenocysteine residues was achieved in 10 minutes with 4-chloromethylene dipicolinic acid (4Cl-MDPA) under conditions that left cysteine residues unchanged even after overnight incubation. Gd^III−Gd^III distances measured by double electron–electron resonance (DEER) experiments of maltose binding protein (MBP) containing two selenocysteine residues tagged with 4Cl-MDPA-Gd^III were indistinguishable from Gd^III−Gd^III distances measured of MBP containing cysteine reacted with 4Br-MDPA tags.     

Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein: Recognition Comes in Different Flavors

Bile acids have been reported as important cofactors promoting human and murine norovirus (NoV) infections in cell culture. The underlying mechanisms are not resolved. Through the use of chemical shift perturbation (CSP) NMR experiments, we identified a low-affinity bile acid binding site of a human GII.4 NoV strain. Long-timescale MD simulations reveal the formation of a ligand-accessible binding pocket of flexible shape, allowing the formation of stable viral coat protein–bile acid complexes in agreement with experimental CSP data. CSP NMR experiments also show that this mode of bile acid binding has a minor influence on the binding of histo-blood group antigens and vice versa. STD NMR experiments probing the binding of bile acids to virus-like particles of seven different strains suggest that low-affinity bile acid binding is a common feature of human NoV and should therefore be important for understanding the role of bile acids as cofactors in NoV infection.     

Prediction and sensitivity analysis of CNTs-modified asphalt’s adhesion force using a radial basis neural network model

Abstract

The expected longer service life of modified asphalt can be jeopardized by different environmental factors, such as moisture, oxidation, etc. which affect the desired properties by altering the adhesive property. An insight into knowledge of the adhesive property of the asphalt can help in providing more durable asphalt pavement. The study attempted to develop different models of adhesive properties of polymers and carbon nanotubes (CNTs) modified asphalt binders. The polymer-CNT modified asphalt is processed to prepare different types of samples, by simulating the damage due to moisture and oxidization, following the corresponding standard method. An Atomic Force Microscopy (AFM) was employed to assess the nanoscale adhesion force of the tested samples following the existing functional group in asphalt. Finally, the study has developed Radial Basis Function Neural Network (RBFNN) as a function of different parameters including; asphalt chemistry (i.e. AFM tip type and constant), type and percentages of polymers and CNTs and different environmental exposures (oxidation, moisture, etc.) to predict the nano adhesion force of asphalt. It is observed that the adhesive property of the Styrene–Butadiene modified asphalt is more consistent compared to the Styrene–Butadiene–Styrene modified asphalt, while the presence of Single-Wall Nanotubes (SWNT) is observed to affect the adhesive properties of asphalt significantly as compared to Multi-Wall Nanotubes (MWNT). The higher accuracy level of RBFNN model also indicates that the functional group (tip-type) adding with the percentages and types of polymers and CNTs significantly affect the adhesive properties of asphalt.     

Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors

The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H₂ results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the ¹H NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan ¹H NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide.     

Broad-Spectral-Range Sustainability and Controllable Excitation of Hyperbolic Phonon Polaritons in α-MoO3

Hyperbolic phonon polaritons (HPhPs) in orthorhombic-phase molybdenum trioxide (α-MoO₃) show in-plane hyperbolicity, great wavelength compression, and ultralong lifetime, therefore holding great potential in nanophotonic applications. However, its polaritonic response in the far-infrared (FIR) range remains unexplored due to challenges in experimental characterization. Here, monochromated electron energy loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) is used to probe HPhPs in α-MoO₃ in both mid-infrared (MIR) and FIR frequencies and correlate their behaviors with microstructures and orientations. It is found that low structural symmetry leads to various phonon modes and multiple Reststrahlen bands (RBs) over a broad spectral range (over 70 meV) and in different directions (55–63 meV and 119–125 meV along the b-axis, 68–106 meV along the c-axis, and 101–121 meV along the a-axis). These HPhPs can be selectively excited by controlling the direction of swift electrons. These findings provide new opportunities in nanophotonic and optoelectronic applications, such as directed light propagation, hyperlenses, and heat transfer.