On the Correspondence between Molecular Orbital Energies and Empirical Force Field Potential Terms

In order to avoid the difficulty associated with the parameterization of molecular mechanics (MM) potential functions for mole-· cules containing hetero-atoms, a possibility of switching the standard from experimental to theoretical is suggested. Advantages and disadvantages of the ab initio MO-based, transferable force field. are discussed. As the first step toward this goal, the correspondence between the MM potential energy terms and quantities resulting from molecular orbital (MO) calculations has been investigated with the emphasis on extracting the general trend. Stretch, angle bending and electrostatic interaction energy terms can be computed without serious difficulties by MO methods. It is suggested that nonbonded interactions by the through-bond mechanism, especially of the 1,4-type, have been overlooked in the existing MM schemes. Prospects of improving the performance of MM by incorporating these and other features are discussed

iPS細胞に由来する生存未分化細胞の形態学的解析

Induced pluripotent stem (iPS) cells possess pluripotency and self-renewal ability. Therefore, iPS cells are expected to be useful in regenerative medicine. However, iPS cells form malignant immature teratomas after transplantation into animals, even after differentiation induction. It has been suggested that undifferentiated cells expressing Nanog that remain after differentiation induction are responsible for teratoma formation. Various methods of removing these undifferentiated cells have therefore been investigated, but few methods involve morphological approaches, which may induce less cell damage. In addition, for cells derived from iPS cells to be applied in regenerative medicine, they must be alive. However, detailed morphological analysis of live undifferentiated cells has not been performed. For the above reasons, we assessed the morphological features of live undifferentiated cells remaining after differentiation induction as a basic investigation into the clinical application of iPS cells. As a result, live undifferentiated cells remaining after differentiation induction exhibited a round or oval cytoplasm about 12 μm in diameter and a nucleus. They exhibited nucleo-cytoplasmic (N/C) ratio of about 60% and eccentric nuclei, and they possessed partially granule-like structures in the cytoplasm and prominent nucleoli. Although they were similar to iPS cells, they were smaller than live iPS cells. Furthermore, very small cells were present among undifferentiated cells after differentiation induction. These results suggest that the removal of undifferentiated cells may be possible using the morphological features of live iPS cells and undifferentiated cells after differentiation induction. In addition, this study supports safe regenerative medicine using iPS cells.九州保健福祉大学平成29年

Chronic obstructive pulmonary disease affects angiographic presentation and outcomes

Letter to the edito

Magnetism in all-carbon nanostructures with negative gaussian curvature

The electronic and magnetic properties of an sp2 bonded all-carbon nanostructure, consisting of a nanotube junction structurally related to schwarzite, were investigated. The spin density functional theory was used during the investigation. The electronic structure of different tetrapods was calculated using the density functional theory within the local spin density approximation (LSDA). It was found that particular systems, which were related to schwarzite and contain no under-coordinated carbon atoms, carry a net magnetic moment in the ground state. The effect of edge termination on the net magnetic moment of the tetrapod was also studied.open13713

Three dimensional motion analyses for rehabilitation version of Awa Odori exercise and the expectancy of physical effects

‘Awa Odori Exercise -Rehabilitation version- was developed in 2006 for the new trial of physical exercise for the aging and the impaired person with lower balance performance in Tokushima prefecture, Japan. Public relations of this exercise had been spreading over Tokushima since then. The characteristics of the exercise were highly familiar with most of people in Tokushima because of popularity in original ‘Awa Odori’. This study proposed the efficacies of Awa Odori Exercise as a rehabilitation exercise. This exercise expected the flexible balance reinforcements and the substitution for walking training with prevention of fall, bedridden and participating restriction for the old people, also promoting the health in Tokushima

Diagnostic criteria for acute-onset type 1 diabetes mellitus (2012): Report of the Committee of Japan Diabetes Society on the Research of Fulminant and Acute-onset Type 1 Diabetes Mellitus

Type 1 diabetes is a disease characterized by destruction of pancreatic β-cells, which leads to absolute deficiency of insulin secretion. Depending on the manner of onset and progression, it is classified as fulminant, acute-onset or slowly progressive type 1 diabetes. Here, we propose the diagnostic criteria for acute-onset type 1 diabetes mellitus. Among the patients who develop ketosis or diabetic ketoacidosis within 3 months after the onset of hyperglycemic symptoms and require insulin treatment continuously after the diagnosis of diabetes, those with anti-islet autoantibodies are diagnosed with \u27acute-onset type 1 diabetes mellitus (autoimmune)\u27. In contrast, those whose endogenous insulin secretion is exhausted (fasting serum C-peptide immunoreactivity <0.6 ng/mL) without verifiable anti-islet autoantibodies are diagnosed simply with \u27acute-onset type 1 diabetes mellitus\u27. Patients should be reevaluated after certain periods in case their statuses of anti-islet autoantibodies and/or endogenous insulin secretory capacity are unknown

大腸3D-CT検査(CT-colonography)における腸管外病変の検出

大腸疾患患者を対象に大腸3D-CT検査(CT-colonography)を施行し,腸管外病変の検出率,検出された腸管外病変の臨床的重要性の分類および大腸疾患の有無と腸管外病変の関係の3項目について検討した.その結果,対象者112例のうち84.8%の症例に少なくとも1つ以上の腸管外病変を認めた.また,対象例のうち33例(29.5%)にカテゴリーE4(臨床上重要な所見を有する)群に分類される腸管外病変を認めた.そして,カテゴリーE4群のうち大腸内視鏡検査で24例(72.7%)が大腸癌と,4例(12.1%,全例に対する比率:3.6%)が所見なしと診断された.これらのことから,大腸疾患およびその疑いを有する症例にCT-colonographyを施行することは,大腸疾患を有する症例はもとより内視鏡検査で所見なしと診断された症例においても,重大な腸管外病変の早期発見に有用である

Three cases of Asymptomatic Gastric Anisakiasis during health check-ups

　本邦での胃アニサキス症の報告例は多く，健康診断（以下：健診）や人間ドック診療において偶然発見される無症候性の胃アニサキス症の報告例も散見される．我々は，当施設の人間ドックで発見された胃アニサキス症３例を経験したので報告する．症例は58歳女性，66歳男性，73歳男性．自覚症状は全例で無症状であった．診断時期は12月から２月の冬季で，全例で検査数日前に鯖，イカ等の魚介類の生ものの摂食歴があった．血液検査所見では，白血球数は全例で正常範囲であり， CRP は２例で軽度の上昇を認めた（0.02 mg/dl，0.41 mg/dl，0.91 mg/dl）．好酸球数は２例で前回値より軽度の上昇を認めた（181/μl から322/μl，379/μl から540/μl）．胃内視鏡所見については，穿入部の発赤，浮腫，びらんを全例で認め，２例で非萎縮粘膜領域に虫体が穿入していた．背景胃粘膜所見は「胃炎の京都分類」で評価すると１例が萎縮やびまん性発赤等の所見のないH. pylori未感染胃相当であり，２例は除菌後の症例（木村・竹本分類：C2 type）であった．過去の報告例と同様，当院で診断した３症例は，全例が無症状で発見され，２例で好酸球数の上昇が認められた．健診・人間ドック診療において胃アニサキス症を検査前に強く疑うことは困難であるが，この疾患を念頭に入れ，無症状であっても十分な問診や内視鏡観察を行うことが重要である．　There are several reports of gastric anisakiasis, and some reports of asymptomatic gastric anisakiasis observed during health check-ups in Japan. We are reporting three cases of gastric anisakis found in health check-up in our hospital. These cases presented in a 58-year-old woman, a 66-year-old man, and a 73-year-old man. All the three cases were asymptomatic in nature. All the cases were observed during the winter season from December to February. The patients consumed fish such as mackerel, tuna, and squid before the examination. White Blood Cell (WBC) counts on blood tests was stable in all cases, whereas two cases exhibited a slight increase in C-reactive Protein (CRP) levels (0.41 mg/dl, 0.91 mg/ dl). Eosinophil count were slightly higher than the previous values in two cases (from 181/μl to 322/μl, and 379/μl to 540/μl). Endoscopic findings in the area invaded by the parasite showed redness, edema, and swelling. In addition to this, parasites penetrated the non-atrophic mucosal area in two cases. According to evaluation by the“Kyoto classification of gastritis”, one case was non-H. pylori infected stomach and 2 cases were post-eradication. All cases depicted asymptomatic gastric anisakiasis in our institutions and two cases indicated an increase in the eosinophil count. Even if it is asymptomatic, the eosinophil count may increase due to the effects of gastric anisakiasis. It is challenging to diagnose gastric anisakiasis before the examination in health check-ups. However, it is imperative to pay attention to this disease and to opt for endoscopic evaluations despite the absence of symptoms

パイ電子をプロトン受容体とする分子間水素結合

京都大学0048新制・論文博士工学博士論工博第97号新制||工||75(附属図書館)1184(主査)教授 吉田 善一, 教授 小田 良平, 教授 古川 淳二学位規則第5条第2項該当Kyoto UniversityDA