Palladium-Catalyzed Direct Intermolecular α‑Arylation of Amides with Aryl Chlorides

An efficient catalytic system for the direct intermolecular α-arylation of acetamide derivatives with aryl chlorides is presented. Chemoselectivities up to 10:1 in the mono- and diarylation of acetamides were achieved by careful selection of bases, solvents, and stoichiometry. Bis-arylated amides were prepared in up to 95% yield

Palladium-Catalyzed Direct α‑Arylation of Methyl Sulfones with Aryl Bromides

A direct and efficient approach for palladium-catalyzed arylation of aryl and alkyl methyl sulfones with aryl bromides has been developed. The catalytic system affords arylated sulfones in good to excellent yields (73–90%)

Engineering the Work Function of Buckled Boron α‑Sheet by Lithium Adsorption: A First-Principles Investigation

First-principles density functional theory calculations were performed to study the effect of Li adsorption on the structural and electronic properties, particularly the work function, of boron α-sheet. The calculated binding energies indicated that boron α-sheet could be well stabilized by the adsorption of Li atoms. Furthermore, the work functions of Li-adsorbed boron α-sheets were observed to decrease drastically with increasing Li coverage. The work functions are lower than that of Mg and even, for some of them, lower than that of Ca, indicating a considerable potential application of Li-adsorbed boron α-sheets as field-emission and electrode materials. Based on the calculated geometric and electronic structures, we discuss in details some possible aspects affecting the work function. The Li coverage dependence of the work functions of Li-adsorbed boron α-sheets was further confirmed by electrostatic potential analyses. The relationship between the work function variation and the Fermi and vacuum energy level shifts was also discussed, and we observed that the variation of the work function is primarily associated with the shift of the Fermi energy level. It is the surface dipole formed by the interaction between adatoms and substrate that should be responsible for the observed variation of the work function, whereas the increasing negative charge and rumpling for boron α-sheet only play minor roles. Additionally, the effect of Li adatoms on the work function of boron α-sheet was confirmed to be much stronger than that of graphene or a graphene double layer

Additional file 5 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 5. The pathways associated with the common targets

Additional file 1 of Preliminary study of the effect of gut microbiota on the development of prostatitis

Supplementary Material

Additional file 2 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 2. The targets of the herbs

Additional file 4 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 4. The common targets between FZD and osteoporosis

Additional file 6 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 6. The details of both the NF−kappa B signaling pathway and the reactive oxygen species

Additional file 3 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 3. The gene targets of osteoporosis

Additional file 1 of Exploring the role and mechanism of Fuzi decoction in the treatment of osteoporosis by integrating network pharmacology and experimental verification

Additional file 1. The active components of FZD