Exploring 2D ultrawide bandgap semiconductors (UWBSs) will be conductive to the development of next‐generation nanodevices, such as deep‐ultraviolet photodetectors, single‐photon emitters, and ...high‐power flexible electronic devices. However, a gap still remains between the theoretical prediction of novel 2D UWBSs and the experimental realization of the corresponding materials. The cross‐substitution process is an effective way to construct novel semiconductors with the favorable parent characteristics (e.g., structure) and the better physicochemical properties (e.g., bandgap). Herein, a simple case is offered for rational design and syntheses of 2D UWBS GaPS4 by employing state‐of‐the‐art GeS2 as a similar structural model. Benefiting from the cosubstitution of Ge with lighter Ga and P, the GaPS4 crystals exhibit sharply enlarged optical bandgaps (few‐layer: 3.94 eV and monolayer: 4.50 eV) and superior detection performances with high responsivity (4.89 A W−1), high detectivity (1.98 × 1012 Jones), and high quantum efficiency (2.39 × 103%) in the solar‐blind ultraviolet region. Moreover, the GaPS4‐based photodetector exhibits polarization‐sensitive photoresponse with a linear dichroic ratio of 1.85 at 254 nm, benefitting from its in‐plane structural anisotropy. These results provide a pathway for the discovery and fabrication of 2D UWBS anisotropic materials, which become promising candidates for future solar‐blind ultraviolet and polarization‐sensitive sensors.
A cross‐substitution process is used to design 2D ultrawide‐bandgap semiconductor GaPS4 by employing GeS2 as a similar structural model. Monolayer GaPS4 exhibits an ultrawide optical bandgap of 4.50 eV. The polarization‐sensitive photodetectors based on the GaPS4 material display high selectivity and linear dichroic ratio in the solar‐blind ultraviolet region.
Twist is a critical epithelial-mesenchymal transition (EMT)-inducing transcription factor that increases expression of vimentin. How Twist1 regulates this expression remains unclear. Here, we report ...that Twist1 regulates Cullin2 (Cul2) circular RNA to increase expression of vimentin in EMT. Twist1 bound the Cul2 promoter to activate its transcription and to selectively promote expression of Cul2 circular RNA (circ-10720), but not mRNA. circ-10720 positively correlated with Twist1, tumor malignance, and poor prognosis in hepatocellular carcinoma (HCC). Twist1 promoted vimentin expression by increasing levels of circ-10720, which can absorb miRNAs that target vimentin. circ-10720 knockdown counteracted the tumor-promoting activity of Twist1
and in patient-derived xenograft and diethylnitrosamine-induced TetOn-Twist1 transgenic mouse HCC models. These data unveil a mechanism by which Twist1 regulates vimentin during EMT. They also provide potential therapeutic targets for HCC treatment and provide new insight for circular RNA (circRNA)-based diagnostic and therapeutic strategies.
A circRNA-based mechanism drives Twist1-mediated regulation of vimentin during EMT and provides potential therapeutic targets for treatment of HCC.
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Organic diradicaloids have unique open-shell structures and properties and promising applications in organic electronics and spintronics. Incorporation of heteroatoms is an effective strategy to ...alter the electronic structures of organic diradicaloids. However, B-containing organic diradicaloids are very challenging due to their high reactivities, which are caused by not only diradical nature but also the B atom. In this article, we report a new kind of organic diradicaloids containing boron atoms. Our strategy is to incorporate planarized triarylboranes to antiaromatic polycyclic hydrocarbons (PHs). We synthesized two isomeric B-containing PHs composed of indenofluorene π-skeletons and two dioxa-bridged triphenylborane moieties. As proved by theoretical and experimental results, both of them have excellent ambient stability and open-shell singlet diradical structures, as well as intriguing magnetic and optoelectronic properties, such as thermally accessible triplet species, reversible multiredox ability, and narrow energy gaps. Notably, they possess sufficient Lewis acidity, which has never been observed for organic diradicaloids. In addition, they can coordinate with Lewis bases to form Lewis adducts, achieving unprecedented dynamic modulations of (anti)aromaticity and thus diradical character of organic diradicaloids.
Abstract
Background
Prediction of the drug-target interaction (DTI) is a critical step in the drug repurposing process, which can effectively reduce the following workload for experimental ...verification of potential drugs’ properties. In recent studies, many machine-learning-based methods have been proposed to discover unknown interactions between drugs and protein targets. A recent trend is to use graph-based machine learning, e.g., graph embedding to extract features from drug-target networks and then predict new drug-target interactions. However, most of the graph embedding methods are not specifically designed for DTI predictions; thus, it is difficult for these methods to fully utilize the heterogeneous information of drugs and targets (e.g., the respective vertex features of drugs and targets and path-based interactive features between drugs and targets).
Results
We propose a DTI prediction method DTI-HeNE (DTI based on Heterogeneous Network Embedding), which is specifically designed to cope with the bipartite DTI relations for generating high-quality embeddings of drug-target pairs. This method splits a heterogeneous DTI network into a bipartite DTI network, multiple drug homogeneous networks and target homogeneous networks, and extracts features from these sub-networks separately to better utilize the characteristics of bipartite DTI relations as well as the auxiliary similarity information related to drugs and targets. The features extracted from each sub-network are integrated using pathway information between these sub-networks to acquire new features, i.e., embedding vectors of drug-target pairs. Finally, these features are fed into a random forest (RF) model to predict novel DTIs.
Conclusions
Our experimental results show that, the proposed DTI network embedding method can learn higher-quality features of heterogeneous drug-target interaction networks for novel DTIs discovery.
The lithium (Li)–air battery has an ultrahigh theoretical specific energy, however, even in pure oxygen (O2), the vulnerability of conventional organic electrolytes and carbon cathodes towards ...reaction intermediates, especially O2−, and corrosive oxidation and crack/pulverization of Li metal anode lead to poor cycling stability of the Li‐air battery. Even worse, the water and/or CO2 in air bring parasitic reactions and safety issues. Therefore, applying such systems in open‐air environment is challenging. Herein, contrary to previous assertions, we have found that CO2 can improve the stability of both anode and electrolyte, and a high‐performance rechargeable Li–O2/CO2 battery is developed. The CO2 not only facilitates the in situ formation of a passivated protective Li2CO3 film on the Li anode, but also restrains side reactions involving electrolyte and cathode by capturing O2−. Moreover, the Pd/CNT catalyst in the cathode can extend the battery lifespan by effectively tuning the product morphology and catalyzing the decomposition of Li2CO3. The Li–O2/CO2 battery achieves a full discharge capacity of 6628 mAh g−1 and a long life of 715 cycles, which is even better than those of pure Li–O2 batteries.
CO2 can do: CO2 makes Li–O2 batteries more stable. On the anode side, CO2 can facilitate the formation of a protective and self‐healing Li2CO3 film, which can expel the H2O and aggressive intermediates during cycling. The cathode and electrolyte are also protected because the O2− intermediate is captured by CO2 to prevent the formation of 1O2.
Oxygen‐redox of layer‐structured metal‐oxide cathodes has drawn great attention as an effective approach to break through the bottleneck of their capacity limit. However, reversible oxygen‐redox can ...only be obtained in the high‐voltage region (usually over 3.5 V) in current metal‐oxide cathodes. Here, we realize reversible oxygen‐redox in a wide voltage range of 1.5–4.5 V in a P2‐layered Na0.7Mg0.2Fe0.2Mn0.6□0.2O2 cathode material, where intrinsic vacancies are located in transition‐metal (TM) sites and Mg‐ions are located in Na sites. Mg‐ions in the Na layer serve as “pillars” to stabilize the layered structure during electrochemical cycling, especially in the high‐voltage region. Intrinsic vacancies in the TM layer create the local configurations of “□–O–□”, “Na–O–□” and “Mg–O–□” to trigger oxygen‐redox in the whole voltage range of charge–discharge. Time‐resolved techniques demonstrate that the P2 phase is well maintained in a wide potential window range of 1.5–4.5 V even at 10 C. It is revealed that charge compensation from Mn‐ and O‐ions contributes to the whole voltage range of 1.5–4.5 V, while the redox of Fe‐ions only contributes to the high‐voltage region of 3.0–4.5 V. The orphaned electrons in the nonbonding 2p orbitals of O that point toward TM‐vacancy sites are responsible for reversible oxygen‐redox, and Mg‐ions in Na sites suppress oxygen release effectively.
Na0.7Mg0.2Fe0.2Mn0.6□0.2O2 with native transitional metal (TM) vacancies is designed as a novel cathode material for sodium‐ion batteries. The TM vacancies lead to nonbonding O 2p orbitals in this material, pointing toward these vacancies triggering reversible whole‐voltage‐range oxygen redox during charge and discharge processes. This work provides new ideals for design of cathode materials in anionic redox chemistry.
Internet data traffic capadty is rapidly reaching limits imposed by optical fiber nonlinear effects. Having almost exhausted available degrees of freedom to orthogonally multiplex data, the ...possibility is now being explored of using spatial modes of fibers to enhance data capadty. We demonstrate the viability of using the orbital angular momentum (OAM) of light to create orthogonal, spatially distinct streams of data-transmitting channels that are multiplexed in a single fiber. Over 1.1 kilometers of a specially designed optical fiber that minimizes mode coupling, we achieved 400-gigabits-per-second data transmission using four angular momentum modes at a single wavelength, and 1.6 terabits per second using two OAM modes over 10 wavelengths. These demonstrations suggest that OAM could provide an additional degree of freedom for data multiplexing in future fiber networks.
Birefringence and dichroism are very important properties in optical anisotropy. Understanding the intrinsic birefringence and dichroism of a material can provide great help to utilize its optical ...anisotropy. But the direct experimental investigation of birefringence in nanoscale materials is rarely reported. As typical anisotropic transition metals trichalcogenides (TMTCs) materials with quasi‐1D structure, TiS3 and ZrS3 have attracted extensive attention due to their special crystal structure and optical anisotropy characteristics. Here, the optical anisotropy properties such as birefringence and dichroism of two kinds of quasi‐1D TMTCs, TiS3 and ZrS3, are theoretically and experimentally studied. In experimental results, the anisotropic refraction and anisotropic reflection of TiS3 and ZrS3 are studied by polarization‐resolved optical microscopy and azimuth‐dependent reflectance difference microscopy, respectively. In addition, the birefringence and dichroism of ZrS3 nanoribbon in experiment are directly measured by spectrometric ellipsometry measurements, and a reasonable result is obtained. This work provides the basic optical anisotropy information of TiS3 and ZrS3. It lays a foundation for the further study of the optical anisotropy of these two materials and provides a feasible method for the study of birefringence and dichroism of other nanomaterials in the future.
Optical anisotropy of quasi‐1D transition metals trichalcogenides of TiS3 and ZrS3 including anisotropic refraction, anisotropic reflection, birefringence, and dichroism are systematically investigated in experimental setup. Anisotropic refraction of TiS3 and ZrS3 nanoribbons are expressed by polarization‐resolved optical microscopy, and anisotropic reflection are expressed by azimuth‐dependent reflectance difference microscopy. Birefringence and dichroism of ZrS3 are measured by Mueller matrix spectrometric ellipsometry.
The interfacial tunable band alignment of heterostructures is coveted in device design and optimization of device performance. As an intentional approach, alloying allows band engineering and ...continuous band‐edge tunability for low‐dimensional semiconductors. Thus, combining the tunability of alloying with the band structure of a heterostructure is highly desirable for the improvement of device characteristics. In this work, the single‐step growth of alloy‐to‐alloy (MoS2(1‐x)Se2x/SnS2(1‐y)Se2y) 2D vertical heterostructures is demonstrated. Electron diffraction reveals the well‐aligned heteroepitaxial relationship for the heterostructure, and a near‐atomically sharp and defect‐free boundary along the interface is observed. The nearly intrinsic van der Waals (vdW) interface enables measurement of the intrinsic behaviors of the heterostructures. The optimized type‐II band alignment for the MoS2(1‐x)Se2x/SnS2(1‐y)Se2y heterostructure, along with the large band offset and effective charge transfer, is confirmed through quenched PL spectroscopy combined with density functional theory calculations. Devices based on completely stacked heterostructures show one or two orders enhanced electron mobility and rectification ratio than those of the constituent materials. The realization of device‐quality alloy‐to‐alloy heterostructures provides a new material platform for precisely tuning band alignment and optimizing device applications.
The single‐step growth of alloy/alloy (MoS2(1‐x)Se2x/SnS2(1‐y)Se2y) vertical heterostructures is demonstrated and the heterostructure exhibits a nearly intrinsic van der Waals (vdW) interface in terms of a near‐atomically sharp and defect‐free boundary along the interface as well as a well‐aligned epitaxial relationship. The almost‐ideal interface enables the identification of the intrinsic behavior of the heterostructures such as the band alignment, charge transfer, and carrier transport.
Contact prelithiation is strongly considered for compensating the initial capacity loss of lithium‐ion batteries, exhibiting great potential for ultralong cycle life of working batteries and the ...application of large‐scale energy‐storage systems. However, the utilization of the sacrificial Li source for contact prelithiation is low (<65%). Herein the fundamental mechanism of contact prelithiation is described from the perspective of the Li source/anode interfaces by regulating the initial contact state, and a clear illustration of the pathogeny for capacity attenuation is successfully delivered. Specifically, creating plentiful electron channels is an access to making contact prelithiation with a higher Li utilization, as the mitigated local current density that reduces the etching of Li dissolution and SEI extension on electron channels. A vacuum thermal evaporation for depositing the Li film enables the contact interface to possess an adequate electron channel construction, rendering a Li utilization of 91.0%, and the dead Li yield is significantly reduced in a working battery.
The isolation of electron channels leads to a low Li source utilization for contact prelithiation, and the resultant “dead Li” greatly degrades battery performance. Creating more electron channels at the Li source/anode interface not only dissipates the local current density to stabilize the electron channels, but also promotes the reaction kinetics, thus supporting an improved Li utilization for contact prelithiation.
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