Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures

An open-source data-analysis framework 2DMAT has been developed for experimental measurements of two-dimensional material structures. 2DMAT| offers five analysis methods: (i) Nelder-Mead optimization, (ii) grid search, (iii) Bayesian optimization, (iv) replica exchange Monte Carlo method, and (v) population-annealing Monte Carlo method. Methods (ii) through (v) are implemented by parallel computation, which is efficient not only for personal computers but also for supercomputers. The current version of 2DMAT is applicable to total-reflection high-energy positron diffraction (TRHEPD), surface X-ray diffraction (SXRD), and low-energy electron diffraction (LEED) experiments by installing corresponding forward problem solvers that generate diffraction intensity data from a given dataset of the atomic positions. The analysis methods are general and can be applied also to other experiments and phenomena.Comment: 11 pages, 8 figure

Cell-type-specific Augmentation of the Tumoricidal Activity of Polymeric Adriamycin Combined with Galactosamine

The optimization of drug delivery system with approaches to a target in structure has been implicated to play a role in cancer chemotherapy, because it can reduce the adverse effects. However, this system partly reduces the direct cytotoxicity of anticancer drugs against tumor cells, in comparison to its free form. In the present study, poly(ﾎｱ- malic acid) adriamycin (poly ADR) coated with saccharides including galactosamine which recognizes galactose-lectin specific to hepatocytes was prepared, and its cytotoxicities against Hep G2 cells (human hepatoblastoma), AZ521 cells (human gastric cancer) and KNS cells (human lung cancer) was evaluated using an in vitro cytotoxicity assay. In both AZ521 cells and KNS cells, poly ADR as well as poly ADR coated with glucosamine, glactosamine or mannosamine provided relatively lower cytotoxicities than the free form of ADR. In contrast, Hep G2 cells were to more efficiently sensitized, compared with the free form of ADR or poly ADR combined with or without glucosamine or mannosamine (P<0.01, respectively). These results indicate that poly ADR coated with galactosamine used as a cell recognition element is thus applicable for targeting cancer chemotherapy in the treatment of hepatocellular carcinoma