Quantum control of chemical reaction dynamics in a classical way

科研費報告書収録論文(課題番号:10640480・基盤研究(C)(2)・H10～H12/研究代表者:藤村, 勇一/多自由度系化学反応ダイナミクスの量子制御

The Influence of Hyperactivity of the Hypothalamic-pituitary-adrenal Axis and Hyperglycemia on the 5-HT2A Receptor-mediated Wet-dog Shake Responses in Rats

Hyperactivity of the hypothalamic-pituitary-adrenal (HPA) axis induces hyperglycemia and serotonin (5-HT)2A receptor supersensitivity. In the present study, to investigate the effect of hyperglycemia on the function of 5-HT2A receptors, we compared the 5-HT2A receptor-mediated wet-dog shake responses in rats treated with adrenocorticotropic hormone (ACTH), dexamethasone and streptozotocin. ACTH (100 &#956;g/rat per day, s.c.), dexamethasone (1 mg/kg per day, s.c.) and streptozotocin (60 mg/kg, i.p.) produced significant hyperglycemia at 14 days after the start of these treatments, and the hyperglycemia was most pronounced in the streptozotocin-treated rats. The wet-dog shake responses induced by (±)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (DOI), a 5-HT2A receptor agonist, were significantly enhanced at 14 days after repeated treatment with ACTH and dexamethasone. However, streptozotocin-induced diabetes had no effect on the wet-dog shake responses. The results of the present study suggest that hyperglycemia is not strongly associated with the enhanced susceptibility of 5-HT2A receptors under the condition of hyperactivity of the HPA axis.</p

Dissociation Potential Curves of Low-Lying States in Transition Metal Hydrides. I. Hydrides of Group 4

The dissociation energy curves of low-lying spin-mixed states for Group 4 hydrides, TiH, ZrH, and HfH, have been calculated using both effective core potential and all-electron approaches. A comprehensive set of theoretical results including the dissociation energies, equilibrium distances, harmonic frequencies, anharmonicities, rotational constants, and dipole moments are reported for these molecules. We present results for both ground and a few excited states, filling a considerable gap in available data for these molecules. Absorption spectra are also predicted on the basis of the results. The present study uses three methods, all based on the multiconfigurational self-consistent field (MCSCF) method, augmented by second-order configuration interaction (SOCI), with either an effective core potential basis set (SBKJC) or a double-ζ basis set (MIDI):  (i) MCSCF+SOCI/SBKJC(f,p) with a one-electron approximation using effective nuclear charges, (ii) MCSCF+SOCI/MIDI(3p,3p) with the full Breit−Pauli Hamiltonian, and (iii) MCSCF +SOCI/MIDI(3p,3p) with the relativistic elimination of the small component scheme and full Breit−Pauli Hamiltonian. The results are compared with previous theoretical studies and available experimental data reported previously. Good agreement is obtained between the results obtained when the first and third methods are used

Dissociation Potential Curves of Low-Lying States in Transition Metal Hydrides. 2. Hydrides of Groups 3 and 5

The dissociation energy curves of low-lying spin-mixed states for Group 5 hydrides (VH, NbH, and TaH), as well as Group 3 hydrides (ScH, YH, and LaH), have been calculated by using both effective core potential (ECP) and all-electron (AE) approaches. The two approaches are based on the multiconfiguration self-consistent field (MCSCF) method, followed by second-order configuration interaction (SOCI) calculations:  the first method employs an ECP basis set proposed by Stevens and co-workers (SBKJC) augmented by a set of polarization functions, and spin−orbit coupling effects are estimated with a one-electron approximation, using effective nuclear charges. The second method employs a double-ζ basis set developed by Huzinaga (MIDI) and three sets of p functions are added to both transition element and hydrogen and one set of f functions is also added to the transition element. The relativistic elimination of small components (RESC) scheme and full Breit−Pauli Hamiltonian are employed in the AE approaches to incorporate relativistic effects. The present paper reports a comprehensive set of theoretical results including the dissociation energies, equilibrium distances, electronic transition energies, harmonic frequencies, anharmonicities, and rotational constants for several low-lying spin-mixed states in the hydrides, filling a considerable gap in available data for these molecules. Transition moments are also computed among the spin-mixed states, and qualitative agreement is obtained for Group 3 hydrides in comparison with the experimental results reported by Ram and Bernath. Peak positions of emission spectra in Group 5 hydrides are also predicted

Effects of Physical and Psychological Stress on 5-HT2A Receptor-mediated Wet-dog Shake Responses in Streptozotocin-induced Diabetic Rats.

Several epidemiological and clinical studies have indicated that the prevalence of psychiatric disorders is higher in diabetic patients than in the general population. In the present studies, we examined the behavioral changes in streptozotocin-induced diabetic rats, and investigated the effects of physical and psychological stress on the hippocampal BDNF levels and on the serotonin 2A (5-HT2A) receptor-mediated wet-dog shake responses. The streptozotocin (60 mg/kg, i.p.)-induced diabetes had no significant effects on the immobility time in the forced swim test or on locomotor activity in the open-field test. Moreover, there was no significant difference in the wet-dog shake responses induced by DOI, a 5-HT2A receptor agonist, between nondiabetic and diabetic rats. Five-day exposure to physical (electric footshock) and psychological (non-footshock) stress had no signifi cant effect on the hippocampal BDNF level in diabetic or nondiabetic rats. The 2 types of stress had no significant effect on the DOI-induced wet-dog shake responses in nondiabetic rats. In diabetic rats, the repeated exposure to physical stress markedly increased the DOI-induced wet-dog shake responses, but the repeated exposure to psychological stress had no effect. These results suggest that exposure to physical stress augmented the susceptibility to the wet-dog shake responses to 5-HT2A receptor stimulation in streptozotocin-induced diabetic rats

Resection of Metachronous Lymph Node Metastases from Hepatocellular Carcinoma after Hepatectomy: Report of Four Cases

We report 4 cases of surgical resection of metachronous lymph node (LN) metastases from hepatocellular carcinoma (HCC) following hepatectomy. Clinicopathological features and results of LN dissection were investigated in the 4 patients. One patient was found to have a single metastasis in the mediastinal LNs, another had multiple metastases in the mediastinal and abdominal LNs, and the other 2 had single metastases in the abdominal LN. The locations of the abdominal LN metastases were behind the pancreas head in 2 patients and around the abdominal aorta in 1 patient. They all underwent surgical resection of metastatic LNs and had no postoperative complications. The 3 patients whose LN metastases were solitary have been alive for more than 2 years after LN resection, and one of them is free from recurrence. The patient with multiple LN metastases died 13 months after LN resection due to carcinomatosis. With the expectation of long-term survival, a single metachronous LN metastasis from HCC after hepatectomy should be resected in patients without uncontrollable intrahepatic or extrahepatic tumors

Concordance of acquired mutations between metastatic lesions and liquid biopsy in metastatic colorectal cancer

Aim: To evaluate whether PCR-reverse sequence-specific oligonucleotide can examine the concordance between liquid biopsy and metastatic lesions with acquired resistance. Materials & methods: We examined acquired mutations in chemoresistant lesions and blood obtained from four patients with RAS wildtype metastatic colorectal cancer who underwent treatment with anti-epidermal growth factor receptor antibodies. Results: In one patient, metastatic lesions harbored diverse acquired mutations in KRAS in all seven metastases; the two acquired mutations were detectable in blood collected after the patient acquired resistance. None of the other patients exhibited liquid biopsy mutations, except one, with a BRAF mutation confirmed in primary tumor and peritoneal dissemination. Conclusion: Liquid biopsy based on PCR-reverse sequence-specific oligonucleotide is a successful procedure for capturing acquired mutations with precise information on the RAS mutational spectrum