Dynamic encapsulation of corannulene molecules into a single-walled carbon nanotube.

The morphology of corannulene molecules encapsulated in a single-walled carbon nanotube (SWCNT) is addressed using atomistic simulations. Firstly, dynamic simulation (DS) of encapsulation of corannulene molecules into a SWCNT is performed using a molecular dynamics (MD) method. It is revealed that corannulene molecules encapsulated in a SWCNT tend to form concave-concave (CC) dimers, and these dimers make stacks tilting against the SWCNT axis or take an arrangement such that their convex surfaces face the inner wall of the SWCNT. This tendency arises from the fact that the van der Waals interactions between the convex surfaces of the corannulene molecules and the inner wall of the SWCNT dominate in their dynamic encapsulation into the SWCNT, and CC dimers are favored based on the energetics. Next, conjugate gradient (CG) energy minimizations starting from two kinds of initial arrangement of corannulene molecules in a SWCNT, concave-convex (CV) and CC/convex-convex (VV) arrangements, are performed. The CG energy minimizations confirm the result of DS that CC dimers are the structural motif of corannulene molecules in a SWCNT. From the final configurations of both the simulations, the tilt angles and intermolecular distances of the stacked molecules are calculated. With increasing the SWCNT diameter, the tilt angles decrease while the intermolecular distances remain almost constant. The tilt angles of the stacked corannulene molecules are approximately expressed by a semi-analytical formula which is derived on the basis of a geometrical constraint condition.

[Clinical studies on the reaction of the skin to various doses of Su-polysaccharide in cancer patients].

The reaction of skin to 10-micrograms and 20-micrograms quantities of Su-polysaccharide (Su-Ps) were examined in 117 patients with cancer, and the results obtained were as follows. Reaction was a little greater to the 20-micrograms dose than to the 10-micrograms dose, but the two parameters were much correlated with each other. The rates of patients showing positive reactions to each dose were 30.8% for 10-micrograms and 34.2% for 20-micrograms. The reactions were augmented by administration of OK-432. The augmentation of skin reaction by OK-432 was more prominent at 20-micrograms doses than at 10-micrograms doses, therefore appearing to be Su-polysaccharide dose-dependent. The ideal Su-polysaccharide dose for Su-Ps skin reaction thus seemed to be 20-micrograms.

[Constant intra-aortic infusion chemotherapy for advanced abdominal cancer--a technic and the effect in patients with peritoneal metastases].

Constant intra-aortic infusion chemotherapy using an artificial graft was performed in 39 patients with advanced abdominal cancer. This method was easy for insertion and re-insertion of the catheter; thus it is suitable for long-term and repeated constant infusion therapy. Complications encountered with the catheter were obstruction (8 cases); cracking (4 cases); cracking of the connector (4 cases); infection of the graft (2 cases), and arterial thrombosis (1 case). Minor complications encountered upon using the catheter were solved by our method, however, infection represents a serious problem. In cases with peritoneal metastases, the response rate was excellent (43% by Karnofsky's criterion and 67% as determined by the ascitic effect) and this therapy was effective for symptoms resulting from peritoneal metastases. In conclusion, ours seems to be useful therapeutic method for advanced abdominal cancer with peritoneal metastases.