血清肌钙蛋白I、同型半胱氨酸、乳酸联合检测对动脉瘤性蛛网膜下腔出血患者术后转归的预测价值分析

摘要 目的：研究血清肌钙蛋白I（cTnI）、同型半胱氨酸（Hcy）以及乳酸（Lac）联合检测对动脉瘤性蛛网膜下腔出血（aSAH）患者术后转归的预测价值。方法：将本院从2018年1月～2020年1月期间收治的115例aSAH患者纳入研究,记作研究组。另取100例健康体检志愿者作为对照组。检测并比较所有受试者血清cTnI、Hcy以及Lac水平。此外,按照术后转归情况将研究组患者分作转归不良组以及转归良好组,比较两组各项基线资料以及血清cTnI、Hcy、Lac水平,并采用多因素Logistic回归分析aSAH患者术后转归不良的影响因素。另外,借助受试者工作特征（ROC）曲线分析明确cTnI、Hcy及Lac联合检测对aSAH术后转归不良的预测价值。结果：研究组血清cTnI、Hcy以及Lac水平均明显高于对照组（P＜0.05）。转归不良组血清Hcy以及Lac水平均高于转归良好组（P＜0.05）。经单因素分析可得：Hunt-Hess分级、动脉瘤大小、术前格拉斯哥昏迷指数（GCS）评分、术前脑疝、术前再出血均和aSAH患者术后转归密切相关（均P＜0.05）。经多因素Logistic回归分析发现：Hunt-Hess分级Ⅳ～Ⅴ级、动脉瘤大小≥5 mm、术前GCS评分、术前脑疝、术前再出血及血清cTnI、Hcy、Lac均是研究组患者术后转归不良的危险因素（均P＜0.05）。经ROC曲线分析可得：血清cTnI、Hcy及Lac联合预测aSAH患者术后转归不良的曲线下面积、灵敏度、特异度以及约登指数均高于上述三项指标单独预测。结论：血清cTnI、Hcy及Lac联合检测对aSAH患者术后转归不良的预测价值较高。     

血清VEGF、sFlt-1、IL-4水平与妊娠期高血压疾病患者预后的关系研究

摘要 目的：探讨血清血管内皮生长因子（VEGF）、可溶性Fms样酪氨酸激酶-1（sFlt-1）、白细胞介素-4（IL-4）水平与妊娠期高血压疾病（HDP）患者分类及妊娠结局的关系。方法：选取2019年7月～2021年1月我院收治的204例HDP患者（HDP组）,根据指南分类原则分为妊娠期高血压组（n=88）、子痫前期组（n=66）、子痫组（n=50）,根据妊娠结局分为结局不良组和结局良好组,另选取同期100名于我院产检健康孕产妇为对照组。采用单因素及多因素Logistic回归和受试者工作特征（ROC）曲线分析HDP患者妊娠结局不良的影响因素及血清VEGF、sFlt-1、IL-4水平对妊娠结局不良的预测价值。结果： 与对照组比较,HDP组血清VEGF、IL-4水平降低,sFlt-1水平升高（P＜0.05）。妊娠期高血压组、子痫前期组、子痫组血清VEGF、IL-4水平依次降低,sFlt-1水平依次升高（P＜0.05）。204例HDP患者妊娠结局不良发生率为29.90%（61/204）。单因素分析显示,妊娠结局不良与年龄、不同疾病分类、SBP、DBP、尿蛋白、VEGF、sFlt-1、IL-4有关（P＜0.05）。多因素Logistic回归分析显示,HDP患者妊娠结局不良的独立危险因素与独立保护因素分别为子痫、sFlt-1升高与VEGF、IL-4升高（P＜0.05）。血清VEGF、sFlt-1、IL-4水平单独与联合预测HDP患者妊娠结局不良的曲线下面积（AUC）分别为0.766、0.774、0.770、0.905,VEGF、sFlt-1、IL-4联合预测HDP患者妊娠结局不良的AUC最大。结论：HDP患者血清VEGF、IL-4水平降低,sFlt-1水平升高,与HDP分类和妊娠结局不良有关,VEGF、sFlt-1、IL-4联合对HDP患者妊娠结局不良的预测价值较高。     

Stanford A型主动脉夹层孙氏手术患者术后血流感染的影响因素及术前PCT、IL-6、D-D的预测价值研究

摘要 目的：分析Stanford A型主动脉夹层（AD）孙氏手术患者术后血流感染（BSI）的影响因素,并探讨术前血清降钙素原（PCT）、白细胞介素-6（IL-6）、D-二聚体（D-D）对术后发生BSI的预测价值。方法：选取2019年1月～2022年1月贵州医科大学附属医院收治的236例接受孙氏手术的Stanford A型AD患者,根据术后是否BSI分为BSI组和非BSI组。收集患者基础资料和实验室指标,采用多因素Logistic回归分析Stanford A型AD孙氏手术患者术后发生BSI的影响因素,采用受试者工作特征（ROC）曲线分析血清PCT、IL-6、D-D水平对Stanford A型AD孙氏手术患者术后发生BSI的预测价值。结果：BSI组年龄≥60岁、糖尿病史、机械通气、气管切开、人工瓣膜植入比例和术后24 h引流量、血清C反应蛋白、PCT、IL-6、D-D水平高于非BSI组,手术时间、心包纵隔管保留时间长于非BSI组（P＜0.05）。多因素Logistic回归分析显示,年龄≥60岁、糖尿病史、机械通气、气管切开、术后24 h引流量上升,血清PCT、IL-6、D-D水平上升为Stanford A型AD孙氏手术患者术后发生BSI的危险因素（P＜0.05）。ROC曲线分析显示,血清PCT、IL-6、D-D三项联合预测的Stanford A型AD孙氏手术患者术后发生BSI的曲线下面积大于单独预测。结论：年龄、糖尿病史、机械通气、气管切开、术后24 h引流量、血清PCT、IL-6、D-D水平是Stanford A型AD孙氏手术患者术后发生BSI的影响因素,术前血清PCT、IL-6、D-D水平可作为Stanford A型AD孙氏手术患者术后发生BSI的辅助预测指标。     

血清尿酸、同型半胱氨酸、白细胞介素-6与冠心病患者肠道菌群和主要不良心血管事件的关系研究

摘要 目的：研究血清尿酸（UA）、同型半胱氨酸（Hcy）、白细胞介素-6（IL-6）与冠心病患者肠道菌群和主要不良心血管事件（MACE）的关系。方法：选取2018年5月~2020年12月期间在中国人民解放军联勤保障部队第九八九医院行经皮冠状动脉介入术（PCI）的冠心病患者120例作为冠心病组,选取同期来中国人民解放军联勤保障部队第九八九医院体检的健康志愿者80例作为对照组。对比对照组、冠心病组的血清IL-6、Hcy、UA水平和乳酸杆菌、双歧杆菌、大肠杆菌。Pearson相关性分析IL-6、Hcy、UA和乳酸杆菌、双歧杆菌、大肠杆菌的相关性。记录冠心病组PCI术后随访1年MACE的发生率,并采用多因素Logistic回归分析MACE发生的影响因素。结果：冠心病组的血清IL-6、Hcy、UA水平高于对照组（P<0.05）。冠心病组的乳酸杆菌、双歧杆菌、大肠杆菌数量少于对照组（P<0.05）。Pearson相关性分析结果显示,IL-6、Hcy、UA均与乳酸杆菌、双歧杆菌、大肠杆菌呈负相关（P<0.05）。所有患者均完成随访,无失访患者。随访过程中发现有32例患者发生MACE,发生率为26.67%。根据是否发生MACE分为MACE组（n=32）和无MACE组（n=88）。单因素分析结果显示,MACE的发生与病程、吸烟史、合并高血压、合并糖尿病、置入支架数目、IL-6、Hcy、UA、乳酸杆菌、双歧杆菌、大肠杆菌有关（P<0.05）。多因素Logistic回归分析结果显示：病程偏长、吸烟史、合并高血压、合并糖尿病、置入支架数目更多、IL-6偏高、Hcy偏高、UA偏高是冠心病患者MACE发生的危险因素（P<0.05）。结论：冠心病患者体内IL-6、Hcy、UA水平升高,肠道菌群紊乱,且肠道菌群紊乱与IL-6、Hcy、UA水平相关。此外,冠心病PCI术后MACE发生不可避免,且受到病程、吸烟史、合并高血压等多种因素的影响。     

血清CX3CL1、APN、Hcy及hs-CRP水平对急性心肌梗死患者PCI术后心肌低灌注的预测价值及其模型构建

摘要 目的：探讨血清CX3C趋化因子配体1 （CX3CL1）、脂联素（APN）、同型半胱氨酸（Hcy）及超敏C反应蛋白（hs-CRP）水平对急性心肌梗死（AMI）患者经皮冠状动脉介入治疗（PCI）术后心肌低灌注的预测价值,并构建其预测模型。方法：选择2020年10月至2022年4月我院行PCI术治疗的AMI患者106例,根据患者术后冠状动脉血流分级结果将其分为正常灌注组（n=82）和低灌注组（n=24）,比较两组临床资料、PCI治疗情况及血清CX3CL1、APN、Hcy及hs-CRP水平。应用单因素和多因素Logistic回归分析PCI术后心肌低灌注的相关因素,并构建AMI患者PCI术后心肌低灌注预测模型,应用受试者工作特征（ROC）曲线分析新模型及各指标对AMI患者PCI术后心肌低灌注的预测价值。结果：低灌注组年龄显著高于正常灌注组,左心室射血分数（LVEF）显著低于正常灌注组（P<0.05）。低灌注组血清CX3CL1、Hcy及hs-CRP水平显著高于正常灌注组,APN水平显著低于正常灌注组（P<0.05）。多因素Logistic回归分析显示,年龄≥62.62岁、LVEF≤59.05%、血清CX3CL1≥1954.37 ng/mL、血清APN≤6.69 μg/L、血清Hcy≥11.86 μg/mL、血清hs-CRP≥5.18 mg/L是心肌梗死患者PCI术后心肌低灌注的危险因素（P＜0.05）。ROC曲线分析显示基于血清CX3CL1、APN、Hcy及hs-CRP建立的预测模型对PCI术后心肌低灌注有较高的敏感度、特异度。结论：血清CX3CL1、Hcy、hs-CRP水平增高及APN水平降低是心肌梗死PCI术后心肌低灌注的危险因素,基于以上指标构建的预测模型对心肌梗死PCI术后心肌低灌注的预测具有一定价值。     

血清UA、Hcy、LDL-C联合监测对急性脑梗死患者阿替普酶静脉溶栓治疗后脑出血性转化的预测价值

摘要 目的：探讨血清尿酸（UA）、同型半胱氨酸（Hcy）和低密度脂蛋白胆固醇（LDL-C）联合监测对急性脑梗死（ACI）患者阿替普酶静脉溶栓治疗后脑出血性转化（HT）的预测价值。方法：选取2018年1月～2020年12月西南医科大学附属成都三六三医院收治的173例接受阿替普酶静脉溶栓治疗的ACI患者,根据静脉溶栓后是否发生HT分为HT组和非HT组。对比两组的临床资料和血清UA、Hcy、LDL-C水平,采用多因素Logistic回归分析ACI患者阿替普酶静脉溶栓治疗后发生HT的影响因素,采用受试者工作特征（ROC）曲线分析血清UA、Hcy、LDL-C联合监测对ACI患者阿替普酶静脉溶栓治疗后发生HT的预测价值。结果：173例患者中有47例发生HT,发生率为27.17％。与非HT组比较,HT组年龄更大,收缩压、舒张压、美国国立卫生研究院卒中量表（NIHSS）评分、溶栓前随机血糖以及Hcy水平更高,而LDL-C及UA水平更低（P＜0.05）。多因素Logistic回归分析结果显示：收缩压、NIHSS评分、溶栓前随机血糖以及Hcy水平为ACI患者阿替普酶静脉溶栓治疗后发生HT的危险因素,而UA、LDL-C水平为保护因素。ROC曲线分析结果显示：血清UA、Hcy、LDL-C单独与联合监测预测ACI患者阿替普酶静脉溶栓治疗后HT的曲线下面积（AUC）分别为0.764、0.794、0.674、0.888,联合监测时的AUC明显更高。结论：血清UA、LDL-C低水平和Hcy高水平是ACI患者阿替普酶静脉溶栓治疗后HT的影响因素,联合监测能提高对HT发生的预测价值。     

血清脑钠肽、超敏C反应蛋白、可溶性ST2对阵发性心房颤动患者射频消融术后复发的预测价值研究

摘要 目的：探讨血清脑钠肽（BNP）、超敏C反应蛋白（hs-CRP）、可溶性致瘤抑制素2（sST2）对阵发性心房颤动（AF）患者射频消融（RFA）术后复发的预测价值。方法：选择2016年1月至2020年12月我院收治的接受RFA术治疗的82例阵发性AF患者,术后随访12个月,根据术后是否复发分为复发组（25例）和未复发组（57例）。检测患者血清BNP、hs-CRP、sST2水平,收集临床相关资料,采用多因素Logistic回归模型分析影响阵发性AF患者RFA术后复发的因素,采用受试者工作特征（ROC）曲线分析血清BNP、hs-CRP、sST2预测阵发性AF患者RFA术后复发的价值。结果：复发组血清BNP、hs-CRP、sST2水平高于未复发组（P＜0.05）。血清BNP、hs-CRP、sST2水平升高、AF病程增长是影响阵发性AF患者RFA术后复发的危险因素（P＜0.05）。血清BNP、hs-CRP、sST2预测阵发性AF患者消融术后复发的曲线下面积分别为0.720、0.694、0.718,联合三者预测阵发性AF患者RFA术后复发的曲线下面积为0.866,高于BNP、hs-CRP、sST2单独预测。结论：阵发性AF患者血清BNP、hs-CRP、sST2水平升高是RFA术后复发的危险因素,联合检测血清BNP、hs-CRP、sST2水平有助于预测阵发性AF患者RFA术后复发。     

急性心肌梗死患者PCI术后心室重构患者血清Hcy、CysC、MMP-1、NGAL的表达及临床意义

摘要 目的：观察急性心肌梗死（AMI）患者经皮冠脉介入术（PCI）术后心室重构患者血清同型半胱氨酸（Hcy）、胱抑素C（CysC）、基质金属蛋白酶-1（MMP-1）、中性粒细胞明胶酶相关脂质运载蛋白（NGAL）的表达及临床意义。方法：选取2018年3月~2020年9月期间我院收治的AMI患者70例。根据PCI术后是否发生心室重构将其分为无心室重构组（n=49）和心室重构组（n=21）。检测患者血清MMP-1、Hcy、NGAL、CysC水平及心功能指标[左室后壁厚度( LVPWT)、左室舒张末期内径( LVEDD)、左室射血分数( LVEF)、室间隔厚度( IVST)]。分析血清MMP-1、Hcy、NGAL、CysC水平与心功能指标的相关性。分析AMI患者PCI术后心室重构的影响因素。结果：心室重构组血清MMP-1、Hcy、NGAL、CysC水平均高于无心室重构组（P<0.05）;LVEDD、IVST、 LVPWT均大于无心室重构组,LVEF低于无心室重构组（P<0.05）。Pearson相关性分析结果显示：血清MMP-1、Hcy、NGAL、CysC水平和LVEDD、IVST、 LVPWT均呈正相关,而与LVEF呈负相关（P<0.05）。单因素分析结果显示：两组患者梗死部位、心律失常情况、单核细胞（MO）、肌酸激酶同功酶（CK-MB）、发病到开通梗死相关动脉时间组间对比差异均有统计学意义（P<0.05）。多因素Logistic回归分析结果显示：梗死部位为前壁、发生心律失常以及高水平的MO、CK-MB、MMP-1、Hcy、CysC均是AMI患者PCI术后发生心室重构的危险因素（P<0.05）。结论：血清MMP-1、Hcy、NGAL、CysC表达均与AMI患者PCI术后的心室重构密切相关,检测以上指标水平可对AMI患者PCI术后心室重构的预测和防治提供一定参考。     

术前修正衰弱指数联合血清PGE2、IL-17A预测老年髋关节置换术患者术后谵妄的临床研究

摘要 目的：探讨术前修正衰弱指数（mFI）联合血清前列腺素E₂（PGE₂）、白细胞介素-17A（IL-17A）预测老年髋关节置换术患者术后谵妄（POD）的临床研究。方法：选取2020年1月～2022年7月四川大学华西医院收治的276例老年髋关节置换术患者，根据是否发生POD分为POD组和非POD组。计算术前mFI，采用酶联免疫吸附法检测血清PGE₂、IL-17A水平。分析老年髋关节置换术患者POD的影响因素，采用受试者工作特征（ROC）曲线分析mFI和血清PGE₂、IL-17A水平对老年髋关节置换术患者POD的预测价值。结果：276例老年髋关节置换术患者POD发生率为17.03%（47/276）。与非POD组比较，POD组mFI和血清PGE₂、IL-17A水平升高（P＜0.05）。多因素Logistic回归分析显示，年龄、糖尿病、脑卒中、mFI、PGE₂、IL-17A为老年髋关节置换术患者POD的独立危险因素（P＜0.05）。ROC曲线分析显示，mFI联合血清PGE₂、IL-17A预测老年髋关节置换术患者POD的曲线下面积（AUC）大于mFI、PGE₂、IL-17A单独预测（P＜0.05）。结论：mFI和血清PGE₂、IL-17A水平升高与老年髋关节置换术患者POD独立相关，mFI联合血清PGE₂、IL-17A预测老年髋关节置换术患者POD的价值较高，可能成为老年髋关节置换术患者POD的辅助预测指标。     

乳腺癌患者术后PICC导管相关性感染的危险因素及血清C反应蛋白、降钙素原对感染发生风险的预测价值

摘要 目的：分析乳腺癌患者术后经外周静脉置入中心静脉导管（PICC）相关性感染的危险因素并探讨血清C反应蛋白（CRP）、降钙素原（PCT）对感染发生风险的预测价值。方法：选取2019年1月～2022年1月我院收治的150例乳腺癌改良根治术后接受PICC置管的乳腺癌患者,根据是否发生PICC导管相关性感染分为感染组34例和非感染组116例,收集患者临床资料,采用化学发光法检测置管前血清CRP、PCT水平。通过单因素和多因素Logistic回归分析乳腺癌患者术后PICC导管相关性感染的危险因素,绘制受试者工作特征（ROC）曲线分析血清CRP、PCT水平单独与联合检测对乳腺癌患者术后PICC导管相关性感染的预测价值。结果：单因素分析显示,与非感染组比较,感染组高血压病、糖尿病、TNM分期Ⅲ期、穿刺次数≥3次、化疗次数≥5次、导管留置时间≥6个月、敷料更换频率≥7 d/次比例和血清CRP、PCT水平更高（P＜0.05）。多因素Logistic回归分析显示,糖尿病、TNM分期Ⅲ期、化疗次数≥5次、导管留置时间≥6个月、敷料更换频率≥7 d更换1次、CRP（较高）、PCT（较高）为乳腺癌患者术后PICC导管相关性感染的危险因素（P＜0.05）。ROC曲线分析显示,血清CRP、PCT水平联合预测乳腺癌患者术后PICC导管相关性感染的曲线下面积（AUC）大于单独预测。结论：糖尿病、TNM分期、化疗次数、导管留置时间、敷料更换频率、血清CRP、PCT与乳腺癌患者术后PICC导管相关性感染相关,置管前血清CRP、PCT水平联合预测乳腺癌患者术后PICC导管相关性感染发生风险的价值较高。     

Distribution of N,P, K,Ca, Mg,S, Zn,Fe, Mn and Cu in groundnut

Summary Concentration of N, P, K, Ca, Mg and S in summer groundnut crop was higher than in kharif while Zn, Fe, Mn and Cu contents were higher in summer crop. Kernel's N, P and Zn; Leaflet's Ca and Mn; Stem's K and Fe; Root's S and Cu and Petiole's Mg contents were highest. Shell's N, P, K, Mg, S, Zn and Cu; Kernel's Ca, Fe and Mn contents were the least. N, P, K, S, Zn and Cu concentrations decreased linearly as the crop grew. Ca, Mg, Fe and Mn concentrations did not display any distinct pattern. Ca concentration was positively correlated with pod yield in both the seasons.     

Simultaneous measurement of the trace elements Al, As, B, Be, Cd, Co, Cu, Fe, Li, Mn, Mo, Ni, Rb, Se, Sr, and Zn in human serum and their reference ranges by ICP-MS

The goal of this article was to establish reference ranges of the concentration of trace elements in human serum and to compare these results with those reported by other authors. We describe the sample preparation and measurement conditions that allow the rapid, precise, and accurate determination of Al, As, B, Be, Cd, Co, Cu, Fe, Li, Mn, Mo, Ni, Rb, Se, Sr, and Zn in human serum samples (n=110) by inductively coupled plasma-mass spectrometry (ICP-MS). Accuracy and precision were determined by analyzing three reconstituted reference serum samples by comparison with other methods and by the standard addition procedure. The advantages of the ICP-MS method include short time of analysis of the elements mentioned, low detection limit, high precision, and high accuracy. Disadventages include a high risk of contamination due to the presence of some of the elements of interest in the environment, the relatively delicate sample handling, and the high cost of the equipment.     

Reference values for the concentrations of As,Cd, Co,Cr, Cu,Fe, I,Hg, Mn,Mo, Ni,Pb, Se,and Zn in selected human tissues and body fluids

This report attempts to formulate reference ranges of elemental concentrations for 15 trace elements in selected human tissues and body fluids. A set of samples consisting of whole blood, blood serum, urine, milk, liver, and hair were chosen and considered for 15 elements of biological significance: As, Cd, Co, Cr, Cu, F, Fe, I, Hg, Mn, Mo, Ni, Pb, Se, and Zn. The results represent wholly or partially data received from 40 countries of the global regions of Africa, Asia, Europe, North, South, and Central America, Australia, and New Zealand. This survey, even if qualitative, has been useful in demonstrating certain trends of trace-element scenarios around the world. It is of course recognized that both diet and environment exert a strong influence on the distribution pattern of several elements, such as As, Cd, Mn, Pb, Se, and Zn. A limited comparison of the available information on soil status of different countries reflected some interesting associations for elements, such as Mn and Zn. Importantly, this study revealed that only a few countries were in a position to identify a reasonable amount of data on samples requested for this project. Regretably, for a number of countries, any dependable data for even such essential elements as Cu, Fe, and Zn were not available. In view of the nutritional importance of many elements, the time is ripe for concerted efforts by intergovernmental agencies to initiate investigations or commission task forces/projects to generate reliable reference data for selected global regions, which sadly lack data of any kind at present.     

Monovalent Cation Permeation through the Connexin40 Gap Junction Channel : Cs,Rb, K,Na, Li,TEA, TMA,TBA, and Effects of Anions Br,Cl, F,Acetate, Aspartate,Glutamate, and NO3

The unitary conductances and permeability sequences of the rat connexin40 (rCx40) gap junction channels to seven monovalent cations and anions were studied in rCx40-transfected neuroblastoma 2A (N2A) cell pairs using the dual whole cell recording technique. Chloride salt cation substitutions (115 mM principal salt) resulted in the following junctional maximal single channel current-voltage relationship slope conductances (γ_j in pS): CsCl (153), RbCl (148), KCl (142), NaCl (115), LiCl (86), TMACl (71), TEACl (63). Reversible block of the rCx40 channel was observed with TBA. Potassium anion salt γ_j are: Kglutamate (160), Kacetate (160), Kaspartate (158), KNO₃ (157), KF (148), KCl (142), and KBr (132). Ion selectivity was verified by measuring reversal potentials for current in rCx40 gap junction channels with asymmetric salt solutions in the two electrodes and using the Goldman-Hodgkin-Katz equation to calculate relative permeabilities. The permeabilities relative to Li⁺ are: Cs⁺ (1.38), Rb⁺ (1.32), K⁺ (1.31), Na⁺ (1.16), TMA⁺ (0.53), TEA⁺ (0.45), TBA⁺ (0.03), Cl⁻ (0.19), glutamate⁻ (0.04), and NO₃− (0.14), assuming that the monovalent anions permeate the channel by forming ion pairs with permeant monovalent cations within the pore thereby causing proportionate decreases in the channel conductance. This hypothesis can account for why the predicted increasing conductances with increasing ion mobilities in an essentially aqueous channel were not observed for anions in the rCx40 channel. The rCx40 effective channel radius is estimated to be 6.6 Å from a theoretical fit of the relationship of relative permeability and cation radius.     

Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.13, 11. 15, 9] pentadecane

A new polynitro cage compound 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptcyclo [5.5.1.1(3,11).1(5,9)] pentadecane (NNNAHP) was designed in the present work. Its molecular structure was optimized at the B3LYP/6-31 G(d,p) level of density functional theory (DFT) and crystal structure was predicted using the Compass and Dreiding force fields and refined by DFT GGA-RPBE method. The obtained crystal structure of NNNAHP belongs to the P-1 space group and the lattice parameters are a = 9.99 ?, b = 10.78 ?, c = 9.99 ?, α = 90.01°, β = 120.01°, γ = 90.00°, and Z = 2, respectively. Based on the optimized crystal structure, the band gap, density of state, thermodynamic properties, infrared spectrum, strain energy, detonation characteristics, and thermal stability were predicted. Calculation results show that NNNAHP has detonation properties close to those of CL-20 and is a high energy density compound with moderate stability.     

Reliability of Analyses of Hg,Fe, Ca,K, P,pH, Alkalinity,Conductivity, Hardness and Colour from Lakes

The aim of this report has been to present results concerning analytical quality controls of Hg analysis of fish and sediment, analyses of Fe, Ca, total-P, K, pH, alkalinity, conductivity, colour and hardness (Ca + Mg) of lake water samples. Despite the fact that these are standard parameters in many regular water control programs, there are major differences in the reliability with which these parameters can be determined. The focus here is on an overall inter-laboratory comparison between the parameters. Six laboratories have been involved in the analysis. Selected results: pH gives the lowest (average) relative standard deviation (error), about 2 %; conductivity gives an error of about 5–7 %; alkalinity yields an average error of as much as 13–25 %, which is the largest among the parameters studied here; colour also gives a high error, 9–15 %; hardness gives a relative standard deviation of about 6–7 %. Of the other parameters (i. e., Hg, Fe, Ca and P), Hg gives the best reliability and Fe and P the lowest. To have knowledge of the reliability of the analytical data is of paramount importance in most control programs and research projects.     

Competitive inhibition and selectivity enhancement by Ca in the uptake of inorganic elements (Be, Na, Mg, K, Ca, Sc, Mn, Co, Zn, Se, Rb, Sr, Y, Zr, Ce, Pm, Gd, Hf) by carrot (Daucus carota cv. U.S. harumakigosun)

We investigated the uptake of inorganic elements (Be, Na, Mg, K, Ca, Sc, Mn, Co, Zn, Se, Rb, Sr, Y, Zr, Ce, Pm, Gd, and Hf) and the effect of Ca on their uptake in carrots (Daucus carota cv. U.S. harumakigosun) by the radioactive multitracer technique. The experimental results suggested that Na, Mg, K, and Rb competed for the functional groups outside the cells in roots with Ca but not for the transporter-binding sites on the plasma membrrane of the root cortex cells. In contrast, Y, Ce, Pm, and Gd competed with Ca for the transporters on the plasma membrane. The selectivity, which was defined as the value obtained by dividing the concentration ratio of an elemental pair, K/Na, Rb/Na, Be/Sr, and Mg/Sr, in the presence of 0.2 and 2 ppm Ca by that of the corresponding elemental pair in the absence of Ca in the solution was estimated. The selectivity of K and Rb in roots was increased in the presence of Ca. The selectivity of Be in roots was not affected, whereas the selectivity of Mg was increased by Ca. These observations suggest that the presence of Ca in the uptake solution enhances the selectivity in the uptake of metabolically important elements against unwanted elements.     

Relations of the Al,B, Ba,Br, Ca,Cl, Cu,Fe, K,Li, Mg,Mn, Na,P, S,Si, Sr,and Zn mass fractions to morphometric parameters in pediatric and nonhyperplastic young adult prostate glands

The variation with age of the 18 trace element mass fractions and some histological characteristics of intact prostate glands of 50 subjects aged 0–30 years was investigated by instrumental neutron activation analysis, inductively coupled plasma atomic emission spectrometry, and a quantitative morphometric analysis. Mean values ± standard error of the mean (M ± SΕΜ) for the mass fractions (in milligrams per kilogram wet tissue) of these trace elements in pre-puberty were: Al 28.5 ± 9.0, B 0.40 ± 0.11, Ba 1.48 ± 0.44, Br 10.5 ± 1.5, Ca 241 ± 30, Cl 3,203 ± 278, Cu 3.51 ± 0.89, Fe 33.7 ± 4.1, K 2,364 ± 145, Li 0.020 ± 0.004, Mg 153 ± 23, Mn 0.46 ± 0.06, Na 2,286 ± 130, P 1,391 ± 100, S 1,698 ± 132, Si 62 ± 11, Sr 0.38 ± 0.08, and Zn 27.6 ± 2.3. During puberty and postpuberty, when there is a significant increase in circulating androgens, the mean values were: Al 7.2 ± 1.4, B 0.21 ± 0.05, Ba 0.25 ± 0.06, Br 5.8 ± 1.0, Ca 433 ± 81, Cl 2,314 ± 201, Cu 1.77 ± 0.13, Fe 20.9 ± 1.6, K 2,585 ± 118, Li 0.0088 ± 0.0014, Mg 232 ± 27, Mn 0.34 ± 0.04, Na 1,875 ± 107, P 1,403 ± 98, S 1,673 ± 73, Si 22.2 ± 3.1, Sr 0.22 ± 0.03, and Zn 93.3 ± 8.9. Mean values (M ± SΕΜ) of percent volumes (%) of the stroma, epithelium and lumen in the prostate before puberty were 73.4 ± 2.6, 20.4 ± 1.7, and 4.45 ± 0.94, respectively, versus 46.5 ± 2.5, 38.5 ± 1.9, and 14.9 ± 1.2 during puberty and postpuberty. This work’s results confirm that the Zn mass fraction in prostate tissue is an androgen-dependent parameter. For the first time it has been demonstrated that the glandular lumen is a main pool of Ca, Mg, and Zn accumulation and that the stroma is a main pool of Al, B, Ba, Br, Cl, Cu, Fe, Mn, Na, and Si accumulation in the normal human prostate, for the age range 0–30 years. It was concluded that the Ca, Mg, and Zn binds tightly within the prostatic fluid, because the volume of glandular lumen reflects the volume of prostatic fluid.     

The Effect of Age and Gender on Al, B, Ba, Ca, Cu, Fe, K, Li, Mg, Mn, Na, P, S, Sr, V, and Zn Contents in Rib Bone of Healthy Humans

The effect of age and gender on major, minor, and trace element contents in the intact rib bone of 80 relatively healthy 15–55-year-old women and men was investigated. Contents or upper limit of contents of 16 chemical elements in the rib bone were determined by inductively coupled plasma atomic emission spectrometry (ICP-AES). Mean values (M?±?SΕΜ) for the mass fraction of Ba, Ca, Cu, Fe, K, Li, Mg, Na, P, S, Sr, and Zn (milligram per kilogram of dry bone) were as follows: 2.54?±?0.16, 171,400?±?4,050, 1.35?±?0.22, 140?±?11, 1,874?±?71, 0.049?±?0.011, 2,139?±?38, 5,378?±?88, 75,140?±?1,660, 1,881?±?51, 291?±?20, and 92.8?±?1.5, respectively. The upper limits of contents of Al, B, Mn, and V were <7.20, <0.65, <0.36, and <0.03, respectively. Statistically significant tendency for the Ca, Mg, and P content to decrease with age was found in the human rib bone, regardless of gender. The mass fraction of Fe in the male rib bone increases with age. It was shown that higher Ca, Mg, Na, P, and Sr mass fractions as well as lower Fe content were typical of female ribs as compared to those in male ribs.