Machine Learning-Enabled Optical Architecture Design of Perovskite Solar Cells.

Perovskite solar cells, emerging as a cutting-edge solar energy technology, have demonstrated a power conversion efficiency (PCE) of >26%, which is below the theoretical limit of 33%. This study, employing a combination of neural network models and high-throughput simulation calculations, taking the single-junction FAPbI3 cell as an illustrative example, indicates that a pyramid structure, in comparison of a planar one, can increase the highest Jsc to 27.4 mA/cm2 and the PCE to 28.4%. Both Jsc and PCE surpass the currently reported experimental results. The optimized periodicity and tilt angle of the pyramid structure align with the textured structure of crystalline silicon solar cells. These results underscore the substantial development potential of neural network inverse design based on high-throughput calculations in the field of optoelectronic devices and provide theoretical guidance for the design of monolithic perovskite-silicon tandem solar cells.

Structural evolution from the CdSSe alloy to the CdS/CdSe core/shell in Cd(S and Se) composite quantum dots and its impact on the performance of sensitized solar cells.

CdSSe alloy and CdS/CdSe core/shell quantum dots (QDs) are widely studied in quantum dot solar cells (QDSSCs). However, to date, there have been no detailed comparative investigations into the cell performance between CdSSe alloy and CdS/CdSe core/shell structures prepared with the same preparation process. In this work, the performances of CdSSe alloy and CdS/CdSe core/shell QDSSCs, which are prepared with the same SILAR (successive ionic layer adsorption and reactions) process, are investigated in detail. By simply tuning the layer numbers and arrangement sequence of the CdS and CdSe layers, a series of QDs, including CdSSe alloy structures, CdS/CdSe multilayer structures, and CdS/CdSe core/shell structures, are successfully prepared with a layer-by-layer technique, while maintaining a similar morphology. Based on these QD sensitized TiO2 photoanodes, QDSSCs are assembled. The CdS/CdSe core/shell QDSSCs yield a maximum power conversion efficiency of 5.08% under AM 1.5 illumination of 100 mW cm-2, which is increased by 77% in comparison with that of CdSSe alloy QDSSCs (2.87%). The significantly enhanced photovoltaic performance of QDSSCs with core/shell architectures is mainly attributed to their high short-circuit current density, which arises from the enhanced absorption intensity. In addition, the CdS/CdSe core-shell contributes to the attenuation of the interfacial charge recombination rate and prolongs the electron lifetime, resulting in more efficient charge collection in QDSSCs.

1,2,3-Triazole-Dithiocarbamate Hybrids, a Group of Novel Cell Active SIRT1 Inhibitors.

BACKGROUND/AIMS: Human SIRT1 is reported to be involved in tumorgenesis, mainly due to its modulating effect on p53 by deacetylation on lysine382. A large quantity of SIRT1 inhibitors was applied in chemotherapeutic study, but few of them were applied into clinical trials. METHODS AND RESULTS: In the current study, a novel series of compounds with 1,4-bispiperazinecarbodithioic acid methyl esters scaffold were characterized to have inhibitory potency to SIRT1 by molecular docking and biochemical evaluation. Further cell level study revealed that one of the most potent SIRT1 inhibitors, compound 3a, is cell active. It can upregulate the amount of p53 by accumulating the K382 acetylation of p53, which lead to the stabilization of p53 in human gastric cancer cell line MGC-803 cells. Meanwhile, we also found compound 3a can inactivate SIRT2 in cells, which suggests the compound as a non-selective SIRT inhibitor. CONCLUSION: All these findings indicate that compound 3a is a potent, reversible and cell active SIRT1 inhibitor and deserves further investigation as an anticancer agent or a biological tool.

Triazole-dithiocarbamate based selective lysine specific demethylase 1 (LSD1) inactivators inhibit gastric cancer cell growth, invasion, and migration.

Lysine specific demethylase 1 (LSD1), the first identified histone demethylase, plays an important role in epigenetic regulation of gene activation and repression. The up-regulated LSD1's expression has been reported in several malignant tumors. In the current study, we designed and synthesized five series of 1,2,3-triazole-dithiocarbamate hybrids and screened their inhibitory activity toward LSD1. We found that some of these compounds, especially compound 26, exhibited the most specific and robust inhibition of LSD1. Interestingly, compound 26 also showed potent and selective cytotoxicity against LSD1 overexpressing gastric cancer cell lines MGC-803 and HGC-27, as well as marked inhibition of cell migration and invasion, compared to 2-PCPA. Furthermore, compound 26 effectively reduced the tumor growth bared by human gastric cancer cells in vivo with no signs of adverse side effects. These findings suggested that compound 26 deserves further investigation as a lead compound in the treatment of LSD1 overexpressing gastric cancer.