Theoretical study of the influence of doped oxygen group elements on the properties of organic semiconductors

Organic semiconductor materials are widely used in the field of organic electronic devices due to their wide variety, low price, and light weight. However, their developments are still restrained by their low stability and carrier mobility. Density functional theory (DFT) was used to study the influence of doped oxygen group elements (O, S, Se, and Te) on the properties of organic semiconductor materials (seven-membered benzothiophene, o-pentacene, thiophene derivatives, and pentacene) in this paper. Based on the calculation of EHOMO, ELUMO, ΔE, and total energy, the performances of organic semiconductor materials without and with doped elements were compared, and it was found that the doping of multi-element Te makes the material have high stability and potential high mobility. For these studied organic semiconductor materials, when the atoms of the doped site change in the order of O, S, Se, and Te, the carrier mobility gradually increases, and the molecules show a tendency of stability. In this paper, promising doping elements and doping methods for these studied molecules are determined through calculations and screening out suitable materials more efficiently and economically without a large amount of repetitive experimental work, which may provide a theoretical basis and guidance for preparing high-performance organic semiconductor materials

Supplementary dataset for the research article "Half-meter sea level fluctuations in the western tropical Pacific during the mid-Holocene"

<p>Table 1. U-Th aages of microatolls from Hainan Island, the northern South China Sea</p&gt

Alkaline intrusives at the east foot of the Taihang-Da Hinggan Mountains; chronology, Sr, Nd and Pb isotopic characteristics and their implications

Based on the Rb-Sr isochron dating results, this paper suggests that the alkaline intrusive belt at the east foot of the Taihang-Da Hinggan Mountains were formed between 135 and 122 Ma. And the alkaline intrusives in the north and south sections of this belt have entirely different Sr, Nd and Pb isotopic characteristics, i.e., all the rocks in the south section have positive ɛSr(t) and negative ɛNd(t) values and all those in the north have the opposite values. On the ɛSr(t) versus ɛNd(t) correlation diagram, the samples from the south are concentrated along the enriched mantle evolution trend lines and nearby, while those from the north fall along the depleted mantle trend lines and nearby. On the Pb isotope composition diagram, most of the samples from the south section fall on the mantle Pb evolution line and nearby, while those from the north lie between the Pb evolution lines of the mantle and the orogenic belt. The above-stated isotopic characteristics not only indicate that the source rocks of the alkaline intrusives in the south section have a close connection to materials from the enriched mantle reservoir, while those in the north are related to materials from the depleted one, but also reveal that the upper mantle below the North China platform is enriched and that below the Inner Mongolia geosyncline is depleted

Liraglutide attenuates type 2 diabetes mellitus-associated non-alcoholic fatty liver disease by activating AMPK/ACC signaling and inhibiting ferroptosis

Abstract Background Non-alcoholic fatty liver disease (NAFLD) is one of the most common complications of type 2 diabetes mellitus (T2DM). The pathogenesis of NAFLD involves multiple biological changes, including insulin resistance, oxidative stress, inflammation, as well as genetic and environmental factors. Liraglutide has been used to control blood sugar. But the impact of liraglutide on T2DM-associated NAFLD remains unclear. In this study, we investigated the impact and potential molecular mechanisms of inhibiting ferroptosis for liraglutide improves T2DM-associated NAFLD. Methods Mice were fed on high-fat-diet and injected with streptozotocin to mimic T2DM-associated NAFLD and gene expression in liver was analysed by RNA-seq. The fast blood glucose was measured during the period of liraglutide and ferrostatin-1 administration. Hematoxylin and eosin staining was used to evaluate the pathological changes in the liver. The occurrence of hepatic ferroptosis was measured by lipid peroxidation in vivo. The mechanism of liraglutide inhibition ferroptosis was investigated by in vitro cell culture. Results Liraglutide not only improved glucose metabolism, but also ameliorated tissue damage in the livers. Transcriptomic analysis indicated that liraglutide regulates lipid metabolism related signaling including AMPK and ACC. Furthermore, ferroptosis inhibitor rather than other cell death inhibitors rescued liver cell viability in the presence of high glucose. Mechanistically, liraglutide-induced activation of AMPK phosphorylated ACC, while AMPK inhibitor compound C blocked the liraglutide-mediated suppression of ferroptosis. Moreover, ferroptosis inhibitor restored liver function in T2DM mice in vivo. Conclusions These findings indicate that liraglutide ameliorates the T2DM-associated NAFLD, which possibly through the activation of AMPK/ACC pathway and inhibition of ferroptosis