Am1 MO Study of Benzene Nitro Derivatives

Molecular properties of benzene nitro derivatives were investigated by using semi-empirical MO calculations. As the results, the molecular structures and the rotational barrier of the nitro group calculated by AM1 showed a good agreement with the experimental values. The heats of formation in gaseous and condensed phases were obtained by considering isodesmic reactions. By this procedure, the heat of formation of hexanitrobenzene in solid phase was calculated to be +22.7 kcal/mol. The detonation parameters were also calculated by using four equations of state. The predicted detonation velocities showed a good agreement with the experimental values.     

Atherosclerosis regression in the elderly--correlation between centrally depressed lesions and risk factors

Atherosclerotic plaque with central depression (depressed lesion) may indicate regression of atherosclerosis in the aorta. Aortic depressed lesions have a solitary elevated area of plaque with a sharply-bordered roung depression in its center and no area ulceration. This may be interpretable as a sign of regression of atherosclerosis. To clarify the pathogenesis of depressed lesion, we studied clinical risk factors such as hypercholesterolemia in patients with depressed lesions that were confirmed at autopsy. The patients were divided into 3 groups according to their total cholesterol level at autopsy: a high-risk group (> or = 220 mg/dl), a moderate-risk group (180-220 mg/dl), and a low-risk group (< or = 180 mg/dl). Depressed lesions were found in 16.4% of those in the high-risk group, in 14.6% of those in the moderate-risk group and in 69.0% of those in the low-risk group. Severe aortic atherosclerosis was found in 69.8% of the patients; 50.9% of those with severe disease were in the-low risk group. Depressed lesions were also found in those with low levels of low-density lipoprotein cholesterol (< or = 140 mg/dl), 58.8% of whom were found to have severe atherosclerosis. There was no relationship between total cholesterol level and the presence of depressed lesions. However, a clinical prevention trial may result in sufficient control of ahterosclerosis among those in the high-risk group and may also lead to regression of aortic lesions.     

A simple and reproducible testing method for dialkyl phthalate migration from polyvinyl chloride products into saliva simulant

We describe a method of mechanical agitation to determine rates of dialkyl phthalate migration from polyvinyl chloride (PVC) products into saliva simulant. The method consists of rotary shaking of a sample with 30 mL of saliva simulant (pH 7.0) at 35 degrees C in a 50 mL glass tube at 300 rpm for 15 min, then measuring the amount of dialkyl phthalate in the saliva simulant by HPLC with a UV detector. The migration rates of diisononyl phthalate (DINP), di-2-ethylhexyl phthalate (DEHP) and di-n-butyl phthalate (DBP) from PVC plates containing about 45% (w/w) plasticizer (molded in our laboratory) were identical. However, the migration rates from molded plates containing 13% (w/w) DBP were almost double those of DINP and DEHP at the same ratios. In addition, the amounts of DINP that migrated in vitro after rotary shaking for 15 min were equivalent to those in vivo determined in saliva from volunteers who chewed plates for 60 min. The migration rates of dialkyl phthalates from 11 commercially available toys ranged from 15.6 to 85.2 micrograms/cm2/h [relative standard deviation (RSD), 3 to 12%].     

Human colorectal carcinoma-specific glycoconjugates detected by pokeweed mitogen lectin

Pokeweed mitogen (PWM) lectin, known to bind branched poly-N-acetyllactosamines, has a highly selective affinity for human colorectal carcinomas. We performed light microscopic (LM) histochemistry with PWM lectin on paraffin sections of human colorectal tissues. In histological sections, normal mucosae and adenomas with mild dysplasia exhibited negative reaction (0/10, 0/13, respectively) with or without neuraminidase pre-digestion, whereas adenomas with moderate dysplasia showed a small increase in PWM lectin reactivity after neuraminidase digestion (4/23). In contrast, we observed a high incidence of positive reactivity in colorectal carcinoma without neuraminidase pre-digestion (38/44). After digestion with neuraminidase, there was increased reactivity of colorectal carcinomas in situ (7/12) and invasive carcinomas (13/32). These results imply that human colorectal carcinomas consistently contain substantial amounts of PWM-reactive branched poly-N-acetyllactosamine glycoconjugates structures. We also compared the staining patterns of PWM lectin and monoclonal antibodies (MAb) directed to Lewis X (LeX) or Lewis Y (LeY) antigen. PWM lectin reactivity was largely confined to the apical membranes of carcinoma tissues. MAb-LeX or MAb-LeY immunoreactivity was seen on the apical membranes and in the cytoplasm of both adenomas and carcinomas. Therefore, histochemical studies with this lectin should be useful for identification of carcinoma tissues and analysis of glycoconjugates associated with colorectal carcinoma.     

Preparation of adsorbent for phosphate recovery from aqueous solutions based on condensed tannin gel

We have synthesized an iron-loaded tannin gel as an adsorbent for phosphate recovery in aqueous solutions. The use of the tannin gel prepared from condensed tannin, which is a ubiquitous and inexpensive natural polymer, is not only cost effective and environment-friendly, but interesting because the phosphate-adsorbed gel can be expected to use directly as a fertilizer. The amount of iron loaded into the tannin gel oxidized by nitric acid was much larger than that into the non-oxidized tannin gel. This increase in the amount of the loaded iron resulted in the significant increase in the adsorption amount of phosphate onto the gel. Mössbauer spectroscopy indicated that the morphology of iron in the gel is a mono-type complex, which is formed as a result of the reaction between Fe(III) and the oxidized tannin gel with carbonyl groups. The iron-loaded tannin gel showed the adsorption selectivity for phosphate over other anions and the pH independence of phosphate adsorption in the wide range of initial pH 3-12. The phosphate adsorption isotherm for the iron-loaded tannin gel followed the Freundlich equation with constants of K_F = 2.66 and 1/n = 0.31, rather than the Langmuir equation. The adsorption amount of phosphate on iron weight basis for the iron-loaded tannin gel is 31.3 mg-P/g-Fe, which indicates that iron in the gel was efficiently used for the phosphate adsorption compared with other phosphate adsorbents, such as iron hydroxides.     

A protein-specific monoclonal antibody to rat liver beta 1-->4 galactosyltransferase and its application to immunohistochemistry

BACKGROUND: The co-occurrence of panic disorder and major depression in the same individual is common. A question to be answered is whether the comorbid disorder is a distinct one or may resemble one or other disorder. In this paper we examine whether the comorbid disorder is a distinct condition. METHOD: We examined the symptom profiles and rates of comorbidity of panic attacks and DIS/DSM-III major depressive disorder in a population-based sample from four sites of the National Institute of Mental Health (NIMH) Epidemiologic Catchment Area Program (n = 12,668). RESULTS: The co-occurrence of panic attacks and major depression over the lifetime was 11 times higher than expected by chance (OR = 11.4, 95% CI 9.5 to 13.6). Subjects with both panic and depression had worse symptoms than those who had only one disorder. However, the pattern of symptoms was remarkably similar, after overall severity was taken into account. Depressive symptoms associated with more severe forms of depression (e.g. guilt, suicidal thoughts or attempts, and motor disturbance) were more frequent in the comorbid group. CONCLUSIONS: These findings may indicate a worse severity when the two disorders occur in the same individual.     

2010年上海世博园能源系统规划的研究--能源基础设施的基本规划理念

借鉴日本在世博会能源规划方面的经验和技术数据,对2010年上海世博园能源系统和能源基础设施提出了基本规划理念。根据上海世博会总体规划,对上海世博园区会展期间和后续利用时的最大空调供冷负荷及其分布作了估算,提出了能源中心的3种方案,并对共同沟等能源基础设施的规划作了介绍。