Accurate and efficient determination of excited-state polarizabilities (α) is an open problem both experimentally and computationally. Following our previous work, [Phys. Chem. Chem. Phys. 2023, 25, 2131−2141], where one can employ simple ground-state density-based functions from the information-theoretic approach (ITA) to accurately and efficiently predict the macromolecular polarizabilities, we aim to predict the lowest excited-state polarizabilities in this work. The philosophy is to use density-based functions to depict the excited-state polarizabilities. As a proof-of-principle application, employing 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as model systems, we have verified that either with the ground-state (S0) or excited-state (S1) densities as input, ITA quantities can be strongly correlated with the excited-state polarizabilities. When the transition densities are considered, both S0 and S1 polarizabilities are in good relationships with some ITA quantities. Furthermore, excitation and emission energies can be predicted based on multivariant linear regression equations of ITA quantities.

Tryptanthrin has not been widely applied in clinical practice due to its poor solubility and low bioavailability in spite of possessing several biological and pharmacological activities. Here, to improve the solubility of tryptanthrin, two types of novel tryptanthrin-loaded micelles were prepared. One was tryptanthrin physically encapsulated by distearoyl phosphatidylethanolamine polyethylene glycol (DSPE-PEG) and the other was pegylated tryptanthrin synthesized by acid-sensitive hydrazone bond and further prepared as micelles. Molecular imprinting technology was used to separate pegylated tryptanthrin and free mPEG-COOH in the preparation of PEGylated tryptanthrin micelles with considerably high separation efficiency. The solubility of tryptanthrin-loaded DSPE-PEG micelles (TDMs) and PEGylated tryptanthrin micelles (PTMs) was increased by 300 and 1493 fold compared with that of tryptanthrin, respectively. The PTMs increased the solubility of tryptanthrin more effectively and 95% of tryptanthrin was released from PTMs at pH 5.5 in 12 h. The cytotoxicity of PTMs decreased under physiological conditions compared with that of tryptanthrin, whereas at pH 5.5, the PTMs showed comparable cytotoxicity with that of tryptanthrin, indicating successful drug release from the carrier in response to tumor cell pH. Overall, we elucidated an efficient method to improve water solubility of tryptanthrin and indicated pegylated tryptanthrin is a promising prodrug.

With the rapid development of Internet of Things (IoT)-based near-earth remote sensing technology, the problem of network intrusion for near-earth remote sensing systems has become more complex and large-scale. Therefore, it is essential to seek an intelligent, automated, and robust network intrusion detection method. In recent years, network intrusion detection methods based on graph neural networks (GNNs) have been proposed. However, there are still some practical issues with these methods. For example, they have not taken into consideration the characteristics of near-earth remote sensing systems, the state of the nodes, and the temporal features. Therefore, this article analyzes the characteristics of existing near-earth remote sensing systems and proposes a spatio-temporal graph attention network (N-STGAT) that considers the state of nodes. The proposed network applies spatiotemporal graph neural networks to the network intrusion detection of near-earth remote sensing systems and validates the effectiveness of the proposed method on the latest flow-based dataset.

A plasmonic refractive index (RI) sensor based on metal-insulator-metal (MIM) waveguide coupled with concentric double rings resonator (CDRR) is proposed and investigated numerically. Utilizing the novel supermodes of the CDRR, the FWHM of the resonant wavelength can be modulated, and a sensitivity of 1060 nm/RIU with high figure of merit (FOM) 203.8 is realized in the near-infrared region. The unordinary modes as well as the influence of structure parameters on the sensing performance are also discussed. Such plasmonic sensor with simple framework and high optical resolution could be applied to on-chip sensing systems and integrated optical circuits. Besides, the special cases of bio- sensing and triple rings are also discussed.

Orchids are often a mystery because of their close and complex relationships with various microorganisms in the natural environment. Orchids rely on microorganisms to obtain nutrients, affecting their seed germination, protocorm, and adult plant growth. Currently, the majority of relevant research is concentrated on isolating and identifying environmental microorganisms that support orchid development and growth. With the development of metagenomic technology, our understanding of orchid mycorrhizal fungi (OMF) and root-associated bacteria (RAB) has been expanded. New research results and discoveries have emerged, which require a comprehensive assessment to provide a reference for studying microorganisms related to orchids. Therefore, we present a comprehensive summary, identifying significant inadequacies of present methodologies while providing ideas for further research.

Periodontitis is a progressive and inflammatory oral disease and results in the damage of the supporting tissues of teeth. Peroxiredoxin6 (PRDX6) is an antioxidant enzyme and has been identified as a regulator in redox balance. This study aimed to investigate whether PRDX6 could protect human gingival fibroblasts (HGFs) from lipopolysaccharide (LPS) induced inflammation and its mechanisms. Here, both inflamed and non-inflamed human gingival tissues were collected to assess the expression of PRDX6 and NRF2 by Immunohistochemistry and Western blotting. Furthermore, HGFs were stimulated with LPS, MJ33 (PRDX6 phospholipase A2 inhibitor), or ML385 (NRF2 inhibitor). The expression levels of inflammatory cytokines were measured by RT-qPCR and ELISA, and reactive oxygen species (ROS) was detected using DCFH-DA. PRDX6 was downregulated in inflamed gingival tissues. In HGFs, LPS induced inflammatory cytokines and ROS was upregulated in PRDX6 knockdown cells. Furthermore, co-treatment with MJ33 alleviated LPS-induced inflammatory cytokines and ROS, while inhibiting NRF2 upregulated those in HGFs. Therefore, this study provided a new mechanistic insight that PRDX6, regulated by the NRF2 signaling, alleviates LPS- induced periodontitis in human gingival fibroblasts.

Helical (frontier) molecular orbitals [Chem. Sci. 2013, 4, 4278] have been reported almost a decade ago. Yet, helical molecular spin densities [Mol. Phys. 2022, e2157774] have been observed by us only very recently. In this work, we have observed that some chiral boron clusters (B–16, B–20, B–24, and B–28) can simultaneously have helical molecular orbitals and helical spin densities. To our best knowledge, it is the first time we have discovered that inorganic boron clusters assume such an unprecedented property. We have unambiguously unraveled that it is chiral Jahn-Teller distortion of quasi-planar boron clusters that drives the formation of helical molecular spin densities. More interestingly, we have shown that elongation/enhancement of helical molecular orbitals can be achieved by simply adding more building blocks via a linker. Aromaticity properties of these boron clusters are also discussed. Implication of this work is straightforward that boron clusters may find potential applications in spintronics, such as molecular magnets.