Metal/TiO<Subscript>2</Subscript> interfaces for memristive switches

The interfaces between metal electrodes and the oxide in TiO₂-based memristive switches play a key role in the switching as well as in the I–V characteristics of the devices in different resistance states. We demonstrate here that the work function of the metal electrode has a surprisingly minor effect in determining the electronic barrier at the interface. In contrast, Ti oxides can be readily reduced by most electrode metals. The amount of oxygen vacancies created by these chemical reactions essentially determines the electronic barrier at the device interfaces.     

Effects of water on epoxy cure kinetics and glass transition temperature utilizing molecular dynamics simulations

Effects of water on epoxy cure kinetics are investigated. Experimental tests show that absorbed water in an uncured bisphenol‐F/diethyl‐toluene‐diamine epoxy system causes an increase in cure rate at low degrees of cure and a decrease in cure rate at high degrees of cure. Molecular simulations of the same epoxy system indicate that the initial increase in cure rate is due to an increase in molecular self‐diffusion of the epoxy molecules in the presence of water. Effects of water on the glass transition temperature (T_g) of the crosslinked thermoset are also studied. Both experiments and simulations show that water decreases T_g. Both types of results indicate that T_g effects are small below 1% water by weight, but that T_g depression occurs much quickly with increasing water content above 1%. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 1150–1159     

Dual-force aggregation of magnetic particles enhances label-free quantification of DNA at the sub-single cell level

We recently reported the ‘pinwheel effect’ as the foundation for a DNA assay based on a DNA concentration-dependent aggregation of silica-coated magnetic beads in a rotating magnetic field (RMF). Using a rotating magnet that generated a 5 cm magnetic field that impinged on a circular array of 5 mm microwells, aggregation was found to only be effective in a single well at the center of the field. As a result, when multiple samples needed to be analyzed, the single-plex (single well) analysis was tedious, time-consuming and labor-intensive, as each well needed to be exposed to the center of the RMF in a serial manner for consistent well-to-well aggregation. For more effective multiplexing (simultaneous aggregation in 12 wells), we used a circular array of microwells and incorporated ‘agitation’ as a second force that worked in concert with the RMF to provide effective multiplexed aggregation-based DNA quantitation. The dual-force aggregation (DFA) approach allows for effective simultaneous aggregation in multiple wells (12 demonstrated) of the multi-well microdevice, allowing for 12 samples to be interrogated for DNA content in 140 s, providing a ∼35-fold improvement in time compared to single-plex approach (80 min) and ∼4-fold improvement over conventional fluorospectrometric methods. Furthermore, the increased interaction between DNA and beads provided by DFA improved the limit of detection   to 250 fg μL⁻¹. The correlation between the DFA results and those from a fluorospectrometer, demonstrate DFA as an inexpensive and rapid alternative to more conventional methods (fluorescent and spectrophotometric).     

高Tc超导体YBCO磁通钉扎的计算机模拟研究

临界电流密度Jc是影响高温超导体在强电领域应用的一个重要参数,在实际应用中,特别在外加磁场下,临界电流密度与超导材料的磁通钉扎性质密切相关.因此,磁通钉扎一直是高温超导体研究中的一个重要领域.由于高温超导体磁通钉扎力密度Fp的标度律存在,本文根据D.Dew-Hughes总结的钉扎力函数,主要存在两种主要作用类型(正常相和△K).我们将D.Dew-HugBes给出的钉扎力密度Fp标度函数改进为一个简化的具有物理意义的函数表达式.结合文献中已有的实验数据,我们对YBcO进行了计算机模拟,确定了它的磁通钉扎类型,模拟的研究结果与实际情况比较吻合.     

Probing affinity and ubiquitin linkage selectivity of ubiquitin-binding domains using mass spectrometry

Non-covalent interactions between ubiquitin (Ub)-modified substrates and Ub-binding domains (UBDs) are fundamental to signal transduction by Ub receptor proteins. Poly-Ub chains, linked through isopeptide bonds between internal Lys residues and the C-terminus of Ub, can be assembled with varied topologies to mediate different cellular processes. We have developed and applied a rapid and sensitive electrospray ionization-mass spectrometry (ESI-MS) method to determine isopeptide linkage-selectivity and affinity of poly-Ub·UBD interactions. We demonstrate the technique using mono-Ub and poly-Ub complexes with a number of α-helical and zinc-finger (ZnF) UBDs from proteins with roles in neurodegenerative diseases and cancer. Affinities in the 2-200 μM range were determined to be in excellent agreement with data derived from other biophysical techniques, where available. Application of the methodology provided further insights into the poly-Ub linkage specificity of the hHR23A-UBA2 domain, confirming its role in Lys48-linked poly-Ub signaling. The ZnF UBP domain of isopeptidase-T showed no linkage specificity for poly-Ub chains, and the Rabex-5 MIU also exhibited little or no specificity. The discovery that a number of domains are able to bind cyclic Lys48 di-Ub with affinities similar to those for the acyclic form indicates that cyclic poly-Ub may be capable of playing a role in Ub-signaling. Detection of a ternary complex involving Ub interacting simultaneously with two different UBDs demonstrated the co-existence of multi-site interactions, opening the way for the study of crosstalk between individual Ub-signaling pathways.     

Weyl groups and elliptic solutions of the WDVV equations

A functional ansatz is developed which gives certain elliptic solutions of the Witten-Dijkgraaf-Verlinde-Verlinde (or WDVV) equations. This ansatz is based on the elliptic trilogarithm function introduced by Beilinson and Levin. For this to be a solution results in a number of purely algebraic conditions on the set of vectors that appear in the ansatz, this providing an elliptic version of the idea, introduced by Veselov, of a ∨-system.Rational and trigonometric limits are studied together with examples of elliptic ∨-systems based on various Weyl groups. Jacobi group orbit spaces are studied: these carry the structure of a Frobenius manifold. The corresponding ‘almost dual’ structure is shown, in the AN and BN cases and conjecturally for an arbitrary Weyl group, to correspond to the elliptic solutions of the WDVV equations.Transformation properties, under the Jacobi group, of the elliptic trilogarithm are derived together with various functional identities which generalize the classical Frobenius-Stickelberger relations.     

Hydroxo and Chloro Complexes/Ion Interactions of Hf4+ and the Solubility Product of HfO2(am)

The solubility of HfO₂(am) was determined at different equilibration periods from the over- and undersaturation directions, in very acidic to basic solutions (0.1 m HCl to 3.2 m NaOH), and in NaCl solutions ranging in concentrations from very dilute to as high as 5.59 m and in a ${\text{p}}C_{{\text{H}} + }$ range from 1 to 4 to obtain reliable thermodynamic data for the Hf⁴⁺–Cl^?–Na⁺–H⁺–OH^?–H₂O system. The studies indicate that equilibrium is reached rapidly (<5 days) and that HfO₂(am) solubility shows amphoteric behavior. The solubility data obtained in this study, along with the data reported in the literature, at NaOH molalities as high as 21.7 m were interpreted using the ion-interaction model of Pitzer. The log K ⁰ for the solubility of HfO₂(am) [HfO₂(am) + 2H₂O ? Hf⁴⁺ + 4OH^?] was determined to be ?55.1 ± 0.7. The log K ⁰ values for the formation of HfOH³⁺, Hf(OH)⁰ ₄, Hf(OH)₅ ^?, and Hf(OH)₆ ^2? according to the reaction (Hf⁴⁺ + xOH^? ? Hf(OH)^4?x _x) were determined to be 13.8, <44.8, 49.7 ± 0.2, and 51.2 ± 0.2, respectively. The thermodynamic model developed in this study is valid for a wide range of conditions (as high as 0.1 m HCl, 21.7 m NaOH, and 5.59 m NaCl). The binary ion-interaction parameters for Hf⁴⁺–Cl^?, HfOH³⁺–Cl^?, and Hf(OH)^2? ₆–Na⁺ were determined in this study to accurately define the observed solubility behavior of hafnium in various systems.     

Vibrational density of states and Lindemann melting law

We examine the Lindemann melting law at different pressures using the vibrational density of states (DOS), equilibrium melting curve, and Lindemann parameter delta(L) (fractional root-mean-squared displacement, rmsd, at equilibrium melting) calculated independently from molecular dynamics simulations of the Lennard-Jones system. The DOS is obtained using spectra analysis of atomic velocities and accounts for anharmonicity. The increase of delta(L) with pressure is non-negligible: delta(L) is about 0.116 and 0.145 at ambient and extreme pressures, respectively. If the component of rmsd normal to a reflecting plane as in the Debye-Waller-factor-type measurements using x rays is adopted for delta(L), these values are about 0.067 (+/-0.002) and 0.084 (+/-0.003), and are comparable with experimental and calculated values for face-centered-cubic elements. We find that the Lindemann relation holds accurately at ambient and high pressures. The non-negligible pressure dependence of delta(L) suggests that caution should be exerted in applying the Lindemann law to obtaining the high pressure melting curve anchored at ambient pressure.