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Non-Adiabatic Direct Dynamics Study of Chromium Hexacarbonyl Photodissociation
The photodissociation of Cr(CO)6 has been studied using direct dynamics including trajectory surface hopping. The dissociation takes place on a steep excited-state potential surface leading toExpand
Prediction of three-dimensional structures and structural flexibilities of wild-type and mutant cytochrome P450 1A2 using molecular dynamics simulations.
TLDR
The results clearly suggest that it is necessary to investigate the dynamic property as well as the static 3D structure for understanding the change of the enzymatic activity of mutant CYP1A2. Expand
Two unprecedented cembrene-type terpenes from an indonesian soft coral sarcophyton sp.
Abstract Two unusual cembranoids, sarcofuranocembrenolides A (1) and B (2), were isolated from a soft coral Sarcophyton sp. together with five known cembranoids (3–7). Compound 1 had a unique carbonExpand
A New Pyranonaphtoquinone Derivative, 4-Oxo-rhinacanthin A, from Roots of Indonesian Rhinacanthus nasutus.
TLDR
A new pyranonaphthoquinone derivative was isolated from the roots of the Indonesian Rhinacanthus nasutus together with two known congeners and inhibited the growth of Staphylococcus aureus with inhibition zones of 16 and 20 mm at 25 µg/disc, respectively. Expand
Verruculides A and B, two new protein tyrosine phosphatase 1B inhibitors from an Indonesian ascidian-derived Penicillium verruculosum.
TLDR
Two new merosesquiterpenes were isolated from a culture broth of the Indonesian ascidian-derived Penicillium verruculosum TPU1311, together with three known congeners, chrodrimanins A (3), B (4), and H (5). Expand
Structures and Biological Evaluations of Agelasines Isolated from the Okinawan Marine Sponge Agelas nakamurai.
TLDR
Three 2-oxo derivatives exhibited markedly reduced biological activity against M. smegmatis, and compound 10 inhibited protein tyrosine phosphatase 1B (PTP1B) activity with an IC50 value of 15 μM. Expand
The relationship between local liquid density and force applied on a tip of atomic force microscope: a theoretical analysis for simple liquids.
TLDR
The relation between the force on a probe and the local density of a liquid is derived based on the statistical mechanics of simple liquids to show the strength of the force is shown to be proportional to the vertical gradient of ln(ρDS). Expand
Trichoketides A and B, two new protein tyrosine phosphatase 1B inhibitors from the marine-derived fungus Trichoderma sp.
TLDR
Two new octaketides were isolated from a culture broth of the seawater-derived fungus Trichoderma sp. Expand
Penicyrones A and B, an epimeric pair of α-pyrone-type polyketides produced by the marine-derived Penicillium sp.
TLDR
This is the first study to demonstrate that verrucosidin (3) exhibited anti-mycobacterial activity. Expand
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