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Background: Atopic dermatitis (AD) is inflammatory disease. So far, therapeutic mechanism of Runfuzhiyang powder on AD remains to be studied. This study aimed to mine key biomarkers to explore potential molecular mechanism for AD incidence and Runfuzhiyang powder treatment. Methods: The control group, AD group, treat group (AD mice treated with Runfuzhiyang powder were utilized for studying. Differentially expressed AD-related genes were acquired by intersecting of key module genes related to control group, AD group and treatment group which were screened by WGCNA and AD-related differentially expressed genes (DEGs). KEGG and GO analyses were further carried out. Next, LASSO regression analysis was utilized to screen feature genes. The ROC curves were applied to validate the diagnostic ability of feature genes to obtain AD-related biomarkers. Then protein-protein interaction (PPI) network, immune infiltration analysis and single-gene gene set enrichment analysis (GSEA) were presented. Finally, TF-mRNA-lncRNA and drug-gene networks of biomarkers were constructed. Results: 4 AD-related biomarkers (Ddit4, Sbf2, Senp8 and Zfp777) were identified in AD groups compared with control group and treat group by LASSO regression analysis. The ROC curves revealed that four biomarkers had good distinguishing ability between AD group and control group, as well as AD group and treatment group. Next, GSEA revealed that pathways of E2F targets, KRAS signaling up and inflammatory response were associated with 4 biomarkers. Then, we found that Ddit4, Sbf2 and Zfp777 were significantly positively correlated with M0 Macrophage, and were significantly negatively relevant to Resting NK. Senp8 was the opposite. Finally, a TF-mRNA-lncRNA network including 200 nodes and 592 edges was generated, and 20 drugs targeting SENP8 were predicted. Conclusion: 4 AD-related and Runfuzhiyang powder treatment-related biomarkers (Ddit4, Sbf2, Senp8 and Zfp777) were identified, which could provide a new idea for targeted treatment and diagnosis of AD.
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The interplay of topology, magnetism, and correlations gives rise to intriguing phases of matter. In this study, through state-of-the-art angle-resolved photoemission spectroscopy, density functional theory, and dynamical mean-field theory calculations, we visualize a fourfold degenerate Dirac nodal line at the boundary of the bulk Brillouin zone in the antiferromagnet YMn2Ge2. We further demonstrate that this gapless, antiferromagnetic Dirac nodal line is enforced by the combination of magnetism, space-time inversion symmetry, and nonsymmorphic lattice symmetry. The corresponding drumhead surface states traverse the whole surface Brillouin zone. YMn2Ge2 thus serves as a platform to exhibit the interplay of multiple degenerate nodal physics and antiferromagnetism. Interestingly, the magnetic nodal line displays a d-orbital dependent renormalization along its trajectory in momentum space, thereby manifesting Hund's coupling. Our findings offer insights into the effect of electronic correlations on magnetic Dirac nodal lines, leading to an antiferromagnetic Hund nodal line.
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In this paper, a broadband terahertz metasurface dedicated to cross-polarization conversion was designed, fabricated, and assessed. The metasurface, comprising two nested double-split rings, features an inherent insensitivity to the angle of incidence. Simulations reveal that the converter achieves a >99% polarization conversion efficiency across the 90-140 GHz range. Moreover, it maintains a >90% polarization conversion ratio (PCR), even at a 50° incidence angle. The sample, featuring 50×70 arrays, was fabricated, and the relevant experimental results align closely with the simulated outcomes. The metasurface characteristics can markedly enhance the performance of cross-polarization converters operating in the terahertz range.
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With extensive structure searches for XB2 (X = Sc, Ti, V, Cr, and Tc) under pressures up to 100 GPa, we uncovered that the crystal structures of these compounds with the lowest enthalpy have the same space group (P6/mmm) as MgB2 at ambient pressure. Among them, ScB2, TiB2 and VB2 are dynamically stable at ambient pressure, but they do not superconduct. CrB2 becomes dynamically stable at 108 GPa and shows superconductivity with a transition temperature (Tc) of 26.0 K. TcB2 is not dynamically stable until 9 GPa. At 20 GPa, it has a Tc of 23.5 K. Further calculations indicate that CrB2 and TcB2 are also thermodynamically stable, suggesting that it is highly likely that they can be synthesized successfully in the laboratory. We found that transition metal atoms (Cr/Tc) dominate soft phonon vibrations and make significant contributions to the electron-phonon coupling (EPC) and superconductivity in CrB2/TcB2, which is in strong contrast to the case of MgB2, where high-frequency B vibrations dominate the EPC and superconductivity. Our work enriches the understanding of superconductivity in transition metal borides.
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Dialkyl carbonates are green and versatile reagents that can be used in alkylation and alkoxycarbonylation reactions. Herein, we disclosed a reductive methoxycarbonylation of aromatic nitro compounds with dimethyl carbonate for the construction of diverse carbamates and N-methyl carbamates. Using Mo(CO)6 as a multiple promoter, different nitroarenes were smoothly transformed into the corresponding carbamates in yields between 27 and 94% using DMC as both solvent and reagent. It is worth noting that the choice of different bases allowed the desired products to be controlled: K3PO4 favoured the formation of carbamates as the primary product, whereas DBU facilitated the formation of N-methyl carbamates as the main product.
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The direct carbonylation of readily available nitro compounds is more attractive and straightforward than the use of traditional amines as nucleophiles. Herein, a practical palladium-catalysed double carbonylation of nitroarenes with o-dihaloarenes has been developed for the construction of various N-aryl phthalimides. Key to the success of this transformation is the use of Mo(CO)6, which acts as both a reducing agent and a solid carbonyl source. A wide range of nitroarenes and o-dihaloarenes as well as o-iodobenzoic acids reacted smoothly to give phthalimides in 27-94% yields.
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This paper presents an electrically controllable reflective broadband linear polarization (LP) converter based on liquid crystals (LCs) for cross-polarization conversion (CPC) in the terahertz frequency range. The proposed structure achieves a high polarization conversion ratio (PCR) exceeding 0.9 within the frequency range of 236.8 - 269.6â GHz. A vital feature of this design is the dynamic control of polarization conversion by re-orienting the nematic liquid crystal molecules through voltage bias switching between 'on' and 'off' states, allowing for precise manipulation of cross-polarized and co-polarized reflected waves. Experimental results validate the simulation outcomes, demonstrating excellent agreement. In contrast to conventional reflective polarization converters with fixed frequency responses, the proposed electrically controllable polarization conversion offers significant potential in imaging and optical communications.
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Computational ghost imaging (CGI) can reconstruct scene images by two-order correlation between sampling patterns and detected intensities from a bucket detector. By increasing the sampling rates (SRs), imaging quality of CGI can be improved, but it will result in an increasing imaging time. Herein, in order to achieve high-quality CGI under an insufficient SR, we propose two types of novel sampling methods for CGI, to the best of our knowledge, cyclic sinusoidal-pattern-based CGI (CSP-CGI) and half-cyclic sinusoidal-pattern-based CGI (HCSP-CGI), in which CSP-CGI is realized by optimizing the ordered sinusoidal patterns through "cyclic sampling patterns," and HCSP-CGI just uses half of the sinusoidal pattern types of CSP-CGI. Target information mainly exists in the low-frequency region, and high-quality target scenes can be recovered even at an extreme SR of 5%. The proposed methods can significantly reduce the sampling number and real-time ghost imaging possible. The experiments demonstrate the superiority of our method over state-of-the-art methods both qualitatively and quantitatively.
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This paper presents a novel sub-terahertz liquid crystal (LC) phase shifter based on digital coding metasurfaces. The proposed structure consists of metal gratings and resonant structures. They are both immersed in LC. The metal gratings function as reflective surfaces for electromagnetic waves and electrodes for controlling the LC layer. The proposed structure changes the state of the phase shifter by switching the voltage on every grating. It allows the deflection of LC molecules within a subregion of the metasurface structure. Four switchable coding states of the phase shifter are obtained experimentally. The phase of the reflected wave varies by 0°, 102°, 166°, and 233° at 120â GHz. Due to the presence of the transverse control electric field, modulation speed is approximately doubled compared to the free relaxation state. This work provides a novel idea for wavefront modulation of phase.
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In this Letter, a broadband and wide-angle linear polarization (LP) converter based on a 3D resonator for cross-polarization conversion (CPC) is presented. The designed structure performs a CPC with a polarization conversion ratio (PCR) of more than 90% in the frequency range 16.32 to 34.12â GHz, corresponding to a relative frequency bandwidth of 70.6%. Moreover, the presented structure possesses broad angle stability and miniaturized configuration. The efficiency of CPC remains over 90% in the operational frequency band with the incident angles up to 40°, and the cell size is 0.18λ for the lowest frequency of the CPC operational band. The proposed 3D structure is fabricated using the multi-material hybrid microdroplet jetting modeling (MHMJM) technique, and the experiments agree closely with the simulated results. Compared with traditional polarization converters based on a planar resonant structure, the proposed design shows excellent bandwidth, wide-angle performance, and miniaturization advantages.
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A new palladium-catalyzed reductive double carbonylation of nitroarenes with aryl halides for the synthesis of benzoxazin-4-ones has been reported. The key to success was the use of Mo(CO)6 as a reductant and bench-stable solid carbonyl sources. Various aryl iodides, bromides, and trifluoromethanesulfonates are suitable reaction partners and produce corresponding benzoxazin-4-one derivatives in moderate to good yields. Preliminary mechanistic studies indicate that nitrosoarene was first generated as the key intermediate through nitro reduction. Remarkably, this method avoids the use of toxic CO gas and is further applied to the late-stage modification of estrone.
Assuntos
Paládio , Substâncias Redutoras , Catálise , Estrutura Molecular , Compostos OrgânicosRESUMO
Currently, the construction of new carbon-carbon bonds and value-added structures in an atom- and step economical manner has become a continuous pursuit in the synthetic chemistry community. Since the first transition-metal-catalyzed hydroformylation of ethylene was reported by Otto Roelen in the 1930s, impressive progress has been achieved in the carbonylative functionalization of unsaturated C-C bonds. In contrast to alkenes, the carbonylative functionalization of alkynes offers tremendous potential for the construction of multisubstituted carbonyl-containing derivatives because of their two independently addressable π-systems. This review provides a timely and necessary investigation of transition-metal-catalyzed carbonylative mutifunctionalization of alkynes with the exclusion of carbonylative hydrofunctionalizations. Different transition metals including palladium, rhodium, iridium, ruthenium, iron, copper, etc. were applied to the development of novel carbonylative transformation. Various C-C, C-N, C-O, C-S, C-B, C-Si, and carbon-halogen bonds were formed efficiently and give the corresponding tri- or tetrasubstituted α,ß-unsaturated ketones, diesters, and heterocycles.
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Orbital angular momentum (OAM) multiplexing of electromagnetic (EM) waves is of great significance for high-speed wireless communication and remote sensing. To achieve high-efficiency OAM multiplexing for multi-channel incident EM waves, this paper presents a novel angle-dispersive meta-atom structure, which can introduce the required anti-symmetric phase dispersion as well as high transmission efficiency for OAM multiplexing. These meta-atoms are then arranged delicately to form an angle-dispersive metasurface working at the X band, which enables three-channel OAM multiplexing by converting highly directional transverse-magnetic (TM) waves incident from 0 and ±45° to coaxial OAM beams with l = 0 and ±2 modes, respectively. The simulation and experimental results reveal that the proposed metasurface can convert a higher proportion of energy to the required OAM modes compared to the conventional OAM multiplexing metasurfaces, which can significantly improve the coaxial transmission efficiency of multi-channel OAM multiplexing.
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Among condensed matter systems, Mott insulators exhibit diverse properties that emerge from electronic correlations. In itinerant metals, correlations are usually weak, but can also be enhanced via geometrical confinement of electrons, that manifest as 'flat' dispersionless electronic bands. In the fast developing field of topological materials, which includes Dirac and Weyl semimetals, flat bands are one of the important components that can result in unusual magnetic and transport behaviour. To date, characterisation of flat bands and their magnetism is scarce, hindering the design of novel materials. Here, we investigate the ferromagnetic Kagomé semimetal Co3Sn2S2 using resonant inelastic X-ray scattering. Remarkably, nearly non-dispersive Stoner spin excitation peaks are observed, sharply contrasting with the featureless Stoner continuum expected in conventional ferromagnetic metals. Our band structure and dynamic spin susceptibility calculations, and thermal evolution of the excitations, confirm the nearly non-dispersive Stoner excitations as unique signatures of correlations and spin-polarized electronic flat bands in Co3Sn2S2. These observations serve as a cornerstone for further exploration of band-induced symmetry-breaking orders in topological materials.
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A reflective terahertz phase shifter for wide-range dynamic and continuous phase modulation is proposed. By injecting a tunable liquid crystal between the slotted metasurface and the grating microstructure, the phases of reflected waves can be modulated with different electrically driven methods. Numerical simulations show that the proposed terahertz phase shifter has a phase difference of more than 360° between unbiased and biased states. Furthermore, an array of 35×35 patch elements was designed and fabricated. The performance of the phase shifter provides more than 360° between 379.6 and 391.8 GHz, where the maximum phase shift reaches 422.4° at 385.9 GHz. Moreover, the fully electrically controlled phase modulation of more than 180° is achieved between 382.0 and 394.1 GHz, with a maximum phase modulation of 248.4° at 383.3 GHz. This work may provide a reflective terahertz phase modulator for beam steering.
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In this work, a tunable cross-polarized transmission structure at the terahertz frequency was demonstrated, and the polarization state during modulation was investigated. The proposed structure can significantly enhance the polarization conversion performance of nematic liquid crystals by leveraging the formation of a Fabry-Perot-like resonant cavity that consists of two metal gratings. As a result, the incident waves are continuously reflected in the liquid crystal layer to complete the accumulation of polarization angle changes. From the experimental results acquired, it was concluded that the insertion loss of the cross-polarization transmission was less than 3 dB and the extinction ratio was larger than 28 dB in the frequency range of 388-426 GHz. Our work provides useful insights for improving the efficiency of cross-polarization conversion by enhancing the resonance process in a Fabry-Perot-like resonant cavity and, thus, significantly extending the equivalent optical path.
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A terahertz phase shifter based on liquid-crystal-integrated metasurface is proposed, which contains a three-slotted array structure and comb grating. The orientation of the liquid crystal molecules can be completely controlled by the direction of the electric field. From the acquired experimental results, it was demonstrated that the phase shift exceeds 300° in the range of 378.6 - 390.8â GHz, whereas the maximum phase shift reaches 374.1° at 383.1â GHz. The molecular reorientation transient process induced by the external electric field in the liquid crystal was measured and analyzed. Based on the molecular reorientation mechanism, which can be divided into three processes, a rapid modulation mechanism was demonstrated. From the performance of the proposed device, an actively controllable phase delay and reflectance with a cycle switching time of approximately 0.3 s was achieved, which is remarkably faster than the usual cycle time that exceeds 8 s. Our work provides useful ideas for improving the response speed of LC-based terahertz devices, which is considered of great significance for several applications, in terms of terahertz reconfigurable devices.
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A tunable metasurface absorber (MA) based on polymer network liquid crystal is introduced in this paper. Despite the well-designed unit cell patterns, the proposed MA can achieve both large frequency tunability and wide-angle stability. Compared with traditional liquid crystal-based metasurfaces, the measured results suggest that the recovery time of the proposed structure was reduced by half. By applying an external voltage on the top electrode of the liquid crystal layer from 0 to a saturation voltage of 10 V, the absorption peak of the MA can be tuned from 112.7 GHz to 102.2 GHz, with a maximum frequency tunability of 9.3%, which is significantly higher than other proposed liquid crystal-based metasurfaces. Moreover, the proposed tunable absorber can maintain absorption greater than 90% with incident angles reaching up to 60° for both transverse electric and transverse magnetic polarizations. This design provides an efficient way for developing low-power consumption terahertz devices with large frequency tunability and wide-angle stability.
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In this work, a new and efficient terahertz reflective phase shifter is proposed. The phase shifter is composed of a metal-dielectric-metal structure with a double dipole patch array, as well as copper grating electrodes immersed within the nematic liquid crystal. More specifically, the employed copper grating electrodes consist of two sets of cross-distributed comb grids, whereas at each set of comb grids can be applied an external bias voltage separately. On top of that, the electric field in the liquid crystal (LC) layer can be continuously changed by enforcing an innovative technique. Consequently, the orientation of the LC molecules was fully controlled by the applied electric field, since the dielectric constant of the LC is controlled by the biased voltage. The phase of the reflective electromagnetic wave can be continuously manipulated. Under this direction, the experimental results show that the phase shift exceeds the value of 180° in the range of 102.5â GHz-104.3â GHz, where the maximum phase shift is 249° at 103â GHz. The proposed work provides a new regulation concept for the implementation of LC-based terahertz devices and the respective applications in the terahertz reconfigurable antennas field.
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A new layered compound LaOTlF2 is designed and investigated using first-principles calculations in this work. The parent compound is an insulator with an indirect band gap of 3.88 eV. Electron-doping of the parent compound makes the material metallic. In the meantime, several lattice vibrational modes couple strongly to the conduction band, leading to a large electron-phonon coupling constant and conventional superconductivity. The highest superconducting transition temperature Tc is predicted to be approximately 8.6 K with λ about 1.25 in the optimally doped LaO0.95F0.05TlF2, where λ is calculated using the Wannier interpolation technique.