First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (AlxGa1−x)2O3

Crack formation limits the growth of (AlxGa1−x)2O3 epitaxial films on Ga2O3 substrates. We employ first-principles calculations to determine the brittle fracture toughness of such films for three growth orientations of the monoclinic structure: [100], [010], and [001]. Surface energies and elastic constants are computed for the end compounds—monoclinic Ga2O3 and Al2O3—and used to interpolate to (AlxGa1−x)2O3 alloys. The appropriate crack plane for each orientation is determined, and the corresponding critical thicknesses are calculated based on Griffith’s theory, which relies on the balance between elastic energy and surface energy. We obtain lower bounds for the critical thickness, which compare well with available experiments. We also perform an in-depth analysis of surface energies for both relaxed and unrelaxed surfaces, providing important insights into the factors that determine the relative stability of different surfaces. Our study provides physical insights into surface stability, crack planes, and the different degrees of crack formation in (AlxGa1−x)2O3 films for different growth orientations

Multifunctional dendrimer/combretastatin A4 inclusion complexes enable in vitro targeted cancer therapy

Mengen Zhang1,2, Rui Guo2, Yin Wang2, Xueyan Cao2, Mingwu Shen2, Xiangyang Shi1-31State Key Laboratory for Modification of Chemical Fibers and Polymer Materials; 2College of Chemistry, Chemical Engineering and Biotechnology, Donghua University, Shanghai, People’s Republic of China; 3Centro de Química da Madeira, Universidade da Madeira, Campus da Penteada, Funchal, PortugalBackground: We report here a unique approach to using multifunctional dendrimer/combretastatin A4 (CA4) inclusion complexes for targeted cancer therapeutics.Methods: Amine-terminated generation 5 polyamidoamine dendrimers were first partially acetylated to neutralize a significant portion of the terminal amines, and then the remaining dendrimer terminal amines were sequentially modified with fluorescein isothiocyanate as an imaging agent and folic acid as a targeting ligand. The multifunctional dendrimers formed (G5.NHAc-FI-FA) were utilized to encapsulate the anticancer drug, CA4, for targeted delivery into cancer cells overexpressing folic acid receptors.Results: The inclusion complexes of G5.NHAc-FI-FA/CA4 formed were stable and are able to significantly improve the water solubility of CA4 from 11.8 to 240 µg/mL. In vitro release studies showed that the multifunctional dendrimers complexed with CA4 could be released in a sustained manner. Both 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide colorimetric assay and morphological cell observation showed that the inhibitory effect of the G5.NHAc-FI-FA/CA4 complexes was similar to that of free CA4 at the same selected drug concentration. More importantly, the complexes were able to target selectively and display specific therapeutic efficacy to cancer cells overexpressing high-affinity folic acid receptors.Conclusion: Multifunctional dendrimers may serve as a valuable carrier to form stable inclusion complexes with various hydrophobic anticancer drugs with improved water solubility, for targeting chemotherapy to different types of cancer.Keywords: PAMAM dendrimers, combretastatin A4, inclusion complexes, targeted cancer therap

Nonresonant valence-to-core x-ray emission spectroscopy of niobium

The valence-to-core (V2C) portion of x-ray emission spectroscopy (XES) measures the electron states close to the Fermi level. These states are involved in bonding, thus providing a measure of the chemistry of the material. In this article, we show the V2C XES spectra for several niobium compounds. The K β ′′ peak in the V2C XES results from the transition of a ligand 2 s electron into the 1 s core-hole of the niobium, a transition allowed by hybridization with the niobium 4 p . This location in energy of this weak peak shows a strong ligand dependence, thus providing a sensitive probe of the ligand environment about the niobium

Water Formation Reaction under Interfacial Confinement: Al0.25Si0.75O2 on O-Ru(0001)

Confined nanosized spaces at the interface between a metal and a seemingly inert material, such as a silicate, have recently been shown to influence the chemistry at the metal surface. In prior work, we observed that a bilayer (BL) silica on Ru(0001) can change the reaction pathway of the water formation reaction (WFR) near room temperature when compared to the bare metal. In this work, we looked at the effect of doping the silicate with Al, resulting in a stoichiometry of AlSiO . We investigated the kinetics of WFR at elevated H pressures and various temperatures under interfacial confinement using ambient pressure X-ray photoelectron spectroscopy. The apparent activation energy was lower than that on bare Ru(0001) but higher than that on the BL-silica/Ru(0001). The apparent reaction order with respect to H was also determined. The increased residence time of water at the surface, resulting from the presence of the BL-aluminosilicate (and its subsequent electrostatic stabilization), favors the so-called disproportionation reaction pathway (*HO + *O ↔ 2 *OH), but with a higher energy barrier than for pure BL-silica.Research was carried out in part at the 23-ID-2 (IOS) beamline of the National Synchrotron Light Source II and the Center for Functional Nanomaterials, which are U.S. DOE Office of Science Facilities, and the Scientific Data and Computing Center, a component of the Computational Science Initiative, at Brookhaven National Laboratory under Contract No. DE-SC0012704. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. J.C. thanks the Spanish Ministry of Science, Innovation and Universities for a “Severo Ochoa” grant (BES-2015-075748) through “Severo Ochoa” Excellence Programme (SEV-2016-0683). Z.D. is supported by ACS PRF grant #61059-ND5

Analysis of Flexural Vibrations of a Piezoelectric Semiconductor Nanoplate Driven by a Time-Harmonic Force

The performance of devices fabricated from piezoelectric semiconductors, such as sensors and actuators in microelectromechanical systems, is superior; furthermore, plate structures are the core components of these smart devices. It is thus important to analyze the electromechanical coupling properties of piezoelectric semiconductor nanoplates. We established a nanoplate model for the piezoelectric semiconductor plate structure by extending the first-order shear deformation theory. The flexural vibrations of nanoplates subjected to a transversely time-harmonic force were investigated. The vibrational modes and natural frequencies were obtained by using the matrix eigenvalue solver in COMSOL Multiphysics 5.3a, and the convergence analysis was carried out to guarantee accurate results. In numerical cases, the tuning effect of the initial electron concentration on mechanics and electric properties is deeply discussed. The numerical results show that the initial electron concentration greatly affects the natural frequency and electromechanical fields of piezoelectric semiconductors, and a high initial electron concentration can reduce the electromechanical fields and the stiffness of piezoelectric semiconductors due to the electron screening effect. We analyzed the flexural vibration of typical piezoelectric semiconductor plate structures, which provide theoretical guidance for the development of new piezotronic devices

Forearm multimodal recognition based on IAHP‐entropy weight combination

Abstract Biometrics are the among most popular authentication methods due to their advantages over traditional methods, such as higher security, better accuracy and more convenience. The recent COVID‐19 pandemic has led to the wide use of face masks, which greatly affects the traditional face recognition technology. The pandemic has also increased the focus on hygienic and contactless identity verification methods. The forearm is a new biometric that contains discriminative information. In this paper, we proposed a multimodal recognition method that combines the veins and geometry of a forearm. Five features are extracted from a forearm Near‐Infrared (Near‐Infrared) image: SURF, local line structures, global graph representations, forearm width feature and forearm boundary feature. These features are matched individually and then fused at the score level based on the Improved Analytic Hierarchy Process‐entropy weight combination. Comprehensive experiments were carried out to evaluate the proposed recognition method and the fusion rule. The matching results showed that the proposed method can achieve a satisfactory performance

Context‐aware Siamese network for object tracking

Abstract At present, temporal and spatial contexts are widely used to improve the adaptability of a tracker. However, most existing methods usually focus on one aspect of the temporal or spatial context and rarely exploit them simultaneously. In this paper, a context‐aware Siamese Network (CSNet) is proposed, which skilfully integrates the modelling of temporal and spatial context into the Siamese tracking framework. Specifically, CSNet consists of a context‐based channel attention module and a context‐based cross‐attention module. The former aggregates spatial context information from different channels and dynamically emphasizes target features, which makes it easier for the tracker to distinguish the target from the background. The latter propagates the temporal context from the previous frames to the current frame to establish the part‐level relationship between the search region and the historical target state, which enables the tracker better adapt to the target deformation. In addition, to further mine context information, the CSNet is equipped with a state‐aware strategy to control the contribution of different context information in tracking. Extensive experiments on OTB2015, UAV123, GOT‐10k, LaSOT, and TrackingNet show that the proposed tracking method achieves comparable performance to the advanced trackers

First-principles surface energies for monoclinic Ga 2 O 3 and Al 2 O 3 and consequences for cracking of (Al x Ga 1-x ) 2 O 3

Crack formation limits the growth of (AlxGa1−x)2O3 epitaxial films on Ga2O3 substrates. We employ first-principles calculations to determine the brittle fracture toughness of such films for three growth orientations of the monoclinic structure: [100], [010], and [001]. Surface energies and elastic constants are computed for the end compounds—monoclinic Ga2O3 and Al2O3—and used to interpolate to (AlxGa1−x)2O3 alloys. The appropriate crack plane for each orientation is determined, and the corresponding critical thicknesses are calculated based on Griffith’s theory, which relies on the balance between elastic energy and surface energy. We obtain lower bounds for the critical thickness, which compare well with available experiments. We also perform an in-depth analysis of surface energies for both relaxed and unrelaxed surfaces, providing important insights into the factors that determine the relative stability of different surfaces. Our study provides physical insights into surface stability, crack planes, and the different degrees of crack formation in (AlxGa1−x)2O3 films for different growth orientations