Hole-Transporting Materials based on Oligo(hetero)aryls with a Naphthodithiophene Core - Succinct Synthesis by Twofold Direct C-H Olefination.

This work demonstrated the first synthetic application of direct C-H olefinations in the step-saving preparation of various hole-transporting materials (HTM) for efficient perovskite solar cells (PSC). Cross-dehydrogenative couplings of naphthodithiophene (NDT) with vinyl arenes under palladium-catalysis facilely generated various new oligo(hetero)aryls with internal alkenes. Reaction conditions were optimized, which gave the product isolated yields of up to 71 % with high (E)-stereoselectivity. These readily accessible NDT core-based small molecules involving olefin as π-spacers displayed immediate power conversion efficiencies of up to 17.2 % without a device oxidation process that is required for the commercially available spiro-OMeTAD and most other existing HTMs while fabricated in corresponding PSC devices.

Implementation of Accurate Parameter Identification for Proton Exchange Membrane Fuel Cells and Photovoltaic Cells Based on Improved Honey Badger Algorithm.

Predicting the system efficiency of green energy and developing forward-looking power technologies are key points to accelerating the global energy transition. This research focuses on optimizing the parameters of proton exchange membrane fuel cells (PEMFCs) and photovoltaic (PV) cells using the honey badger algorithm (HBA), a swarm intelligence algorithm, to accurately present the performance characteristics and efficiency of the systems. Although the HBA has a fast search speed, it was found that the algorithm's search stability is relatively low. Therefore, this study also enhances the HBA's global search capability through the rapid iterative characteristics of spiral search. This method will effectively expand the algorithm's functional search range in a multidimensional and complex solution space. Additionally, the introduction of a sigmoid function will smoothen the algorithm's exploration and exploitation mechanisms. To test the robustness of the proposed methodology, an extensive test was conducted using the CEC'17 benchmark functions set and real-life applications of PEMFC and PV cells. The results of the aforementioned test proved that with regard to the optimization of PEMFC and PV cell parameters, the improved HBA is significantly advantageous to the original in terms of both solving capability and speed. The results of this research study not only make definite progress in the field of bio-inspired computing but, more importantly, provide a rapid and accurate method for predicting the maximum power point for fuel cells and photovoltaic cells, offering a more efficient and intelligent solution for green energy.

Multibarrier-penetrating drug delivery systems for deep tumor therapy based on synergistic penetration strategy.

Nanotherapies, valued for their high efficacy and low toxicity, frequently serve as antitumor treatments, but do not readily penetrate deep into tumor tissues and cells. Here we developed an improved tumor-penetrating peptide (TPP)-based drug delivery system. Briefly, the established TPP iNGR was modified to generate a linear NGR peptide capable of transporting nanotherapeutic drugs into tumors through a CendR pathway-dependent, neuropilin-1 receptor-mediated process. Although TPPs have been reported to reach intended tumor targets, they often fail to penetrate cell membranes to deliver tumoricidal drugs to intracellular targets. We addressed this issue by harnessing cell penetrating peptide technology to develop a liposome-based multibarrier-penetrating delivery system (mbPDS) with improved synergistic drug penetration into deep tumor tissues and cells. The system incorporated doxorubicin-loaded liposomes coated with nona-arginine (R9) CPP and cyclic iNGR (CRNGRGPDC) molecules, yielding Lip-mbPDS. Lip-mbPDS tumor-targeting, tumor cell/tissue-penetrating and antitumor capabilities were assessed using CD13-positive human fibrosarcoma-derived cell (HT1080)-based in vitro and in vivo tumor models. Lip-mbPDS evaluation included three-dimensional layer-by-layer confocal laser scanning microscopy, cell internalization/toxicity assays, three-dimensional tumor spheroid-based penetration assays and antitumor efficacy assays conducted in an animal model. Lip-mbPDS provided enhanced synergistic drug penetration of multiple biointerfaces for potentially deep tumor therapeutic outcomes.

Spirohexenolide A targets human macrophage migration inhibitory factor (hMIF).

Spirohexenolides A and B comprise a unique family of spirotetronate natural products. We report on the identification of their binding to and modulation of human macrophage migration inhibitor factor (hMIF). Using an immunoaffinity-fluorescent labeling method, the properties of this interaction are detailed and evidence is provided that hMIF plays a key role in the cytostatic activity of the spirohexenolides.

New Molecular Design, Step-Saving Synthesis, and Applications of Indolocarbazole Core-Based Oligo(hetero)arenes.

In this work, we have successfully synthesized 15 new examples (LLA01-06; LinLi01-10) of small-molecule hole-transporting materials (HTM) using the less explored indolocarbazole (ICbz) as core moiety. Different from previously reported ICbz HTMs, LinLi01-10 exhibit new molecular designs in which 3,4-ethylenedioxythiophene (EDOT) units are inserted as crucial π-spacers and fluorine atoms are introdcued into end-group molecules. These substantially improve the materials solubility and device power conversion efficiencies (PCEs) while fabricated in perovskite solar cells (PSC). More importantly, LinLi01-10 are generated by a sustainable synthetic approach involving the use of straightforward C-H/C-Br couplings as key transformations, thus avoiding additional synthetic transformations including halogenation and borylation reactions called substrate prefunctionalizations usually required in Suzuki reactions. Most HTM molecules can be purified simply by reprecipitations instead of conducting column chromatography. In contrast to LLA01-06 without additional EDOT moieties, PSC devices using LinLi01-10 as hole-transport layers display promising PCEs of up to 17.5 %. Interestingly, PSC devices employing seven of the LinLi01-10 as hole-transport molecules, respectively, are all able to show an immediate >10 % PCE (t=0) without any device oxidation/aging process that is necessary for the commercial spiro-OMeTAD based PSCs.

Effects of the microcrack shape, size and direction on the poroelastic behaviors of a single osteon: a finite element study.

PURPOSE: In this work, a finite element study is proposed by using the Comsol Multiphysics software to evaluate the effects of microcrack shape, size and direction on the poroelastic behaviors of a single osteon. METHODS: This finite element model is established by using the Comsol Multiphysics software, and we just focus on the comparison of the influences of those microcrack geometric parameters on the osteonal fluid pressure and velocity. RESULTS: The results show that: (1) microcracks in the osteon wall can induce a release of the fluid pressure, but enlarge the velocity in this region; (2) equal-area microcrack with ellipsoid-like shape produced a larger fluid pressure and velocity fields in the osteon than that of rectangular shape; (3) in the elliptic microcracks, the longer of the length (major semi-axis) induces a smaller fluid pressure and velocity amplitudes, whereas the width (minor axis) has little effect; (4) the direction of the microcracks (major axial direction) has an limited influence area around about 1/15 of the osteon cross-sectional area. CONCLUSIONS: This model permits the linking of the external loads and microcracks to the osteonal fluid pressure and velocity, which can be used for other purpose associate microcracks with the mechanotransduction and bone remodeling.