Cu+(H2O)n の赤外スペクトルと溶媒和構造

2005年分子構造総合討論会, 2005年9月27日-30日, タワーホール船堀(東京), 1P03

赤外光解離分光による[Al(NH3)n]+の溶媒和構造に関する研究

2005年分子構造総合討論会, 2005年9月27日-30日, タワーホール船堀(東京), 3P03

Infrared photodissociation spectroscopy of [Al(NH3)n]+ (n = 1-5) : solvation structures and insertion reactions of Al+ into NH3

The [Al(NH3)n]+ ions with n = 1–5 are studied by infrared photodissociation spectroscopy and density functional theory calculations. The inserted [H–Al–NH2]+ structure is calculated to be higher in energy than the adduct [Al–NH3]+ structure. However, incremental solvation stabilizes the inserted structure more efficiently than the adduct structure, because of a larger effective charge on the Al atom in [H–Al–NH2]+. Actually, the infrared spectra demonstrate that the [(H–Al–NH2)(NH3)n–1]+ ions are predominant over [Al–(NH3)n]+ for n ≥ 4, while the adduct structures dominate the spectra of [Al(NH3)n・Ar]+ for n = 1–3.This work was supported in part by the Joint Studies Program (2004) of the Institute for Molecular Science and the Grant-in-Aid for Scientific Research (No. 17550014) from the Ministry of Education, Culture, Sports, Science, and Technology of Japan.This is a postprint of an article published by Elsevier B.V. in Chemical Physics Letters, 2006, available online: http://doi.org/10.1016/j.cplett.2005.11.07

Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4)

Coordination and solvation structures of the Cu+(H2O)n ions with n = 1–4 are studied by infrared photodissociation spectroscopy and density functional theory calculations. Hydrogen bonding between H2O molecules is detected in Cu+(H2O)3 and Cu+(H2O)4 through a characteristic change in the position and intensity of OH-stretching transitions. The third and fourth waters prefer hydrogen-bonding sites in the second solvation shell rather than direct coordination to Cu+. The infrared spectroscopy verifies that the gas-phase coordination number of Cu+ in Cu+(H2O)n is two and the resulting linearly coordinated structure acts as the core of further solvation processes.This is a postprint of an article published by Elsevier B.V. in Chemical Physics Letters, 2006, available online: http://doi.org/10.1016/j.cplett.2006.06.036This work was supported in part by “Nanotechnology Support Project” and Grant-in-Aid for Scientific Research (No. 17550014) of the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan

Hepatocellular Carcinoma Mimicking Liver Abscesses in a Cirrhotic Patient with Severe Septic Shock as a Result of Salmonella O9 HG Infection

We describe a case of severe Salmonella O9 HG sepsis with a mass in the liver, which was diagnosed as hepatocellular carcinoma (HCC) by autopsy of the liver. The patient was a 67-year-old man with chronic high blood pressure. In addition, he was an alcoholic and had been drinking every day for many years. He had had a dinner of ‘sukiyaki’ with a raw egg two days before admission. The next morning, he had developed vomiting, diarrhea, and abdominal pain. Salmonella O9 HG was found in the blood and stool cultures. In the computed tomography (CT) finding of the liver, there was a 2 cm early-enhanced mass with a multilocular structure, with ringed enhancement and daughter nodes. Since we thought that the mass was a liver abscess, we performed needle aspiration from the liver mass and were able to withdraw blood. Despite adequate antibiotic treatment, the patient died as a result of complications on the 55th day after admission. After the patient’s death, we conducted an autopsy. There were two HCC masses, a moderately-differentiated and a well-differentiated mass, as a result of alcoholic cirrhosis of the liver. As the HCC had multilocular cyst-like structures, which were fiber- and necrosis-rich, CT images of the liver masses resembled abscesses

Sub-acute Toxicosis Caused by a Multiple Doses Tegafur/Uracil (UFT) for Suicide : A Case Report

Tegafur/uracil (UFT) is an oral anticancer drug composed of tegafur which is a derivative of fluorouracil (5-FU) and uracil in a molar ratio of 1:4. UFT is effective as adjuvant chemotherapy for breast cancer2, colorectal cancer3, non-small cell lung carcinoma4, head and neck cancer5 and other tumors. We report a 41-year-old man who orally ingested a large dose of UFT (tegafur: 40000 mg/ uracil 9960mg)in an effort to commit suicide, and suffered from sub-acute toxicosis(main symptoms were bone-marrow suppression, and hair loss) of UFT. His life was saved by empiric antibiotic chemical treatment (meropenem, isapamicin, and micafungin), and granulocyte colony-stimulating factor (G -CSF). In the case of toxicosis of UFT, strong antibacterial empiric chemotherapy and G-CSF are necessary for rescue. If G-CSF is not work, biopsy of bone marrow woud be necessary, and the case of no stem cells, bone marrow transfusion should be thought