Theoretical investigation on NO reduction electro-catalyzed by transition-metal-anchored SnOSe nanotubes

Electrochemical NO reduction reaction(NORR)to NH3 emerges as a fascinating approach to achieve both the migration of NO pollutant and the green synthesis of NH3.In this contribution,within the framework of computational hydrogen model and constant-potential implicit solvent model,the NORR electrocatalyzed by a novel transition-metal-anchored SnOSe armchair nanotube(TM@SnOSe_ANT)was investigated using density functional theory calculations.Through the checking in terms of stability,activity,and selectivity,Sc-and Y@SnOSe_ANTs were screened out from the twenty-five candidates.Considering the effects of pH,solvent environment,as well as applied potential,only Sc@SnOSe_ANT is found to be most promising.The predicted surface area normalized capacitance is 11.4μF/cm^(2),and the highest NORR performance can be achieved at the U_(RHE) of-0.58 V in the acid environment.The high activity originates from the mediate adsorption strength of OH.These findings add a new perspective that the nanotube can be served as a highly promising electrocatalyst towards NORR.

随机分配簿:实现临床试验随机分配遮蔽的新技术

目的随机分配遮蔽对保证高质量的随机对照临床试验(RCT)具有重要意义。文中通过对信封法随机分配遮蔽技术的改进,以期设计一种更为便捷、有效的两联单随机分配遮蔽方法。方法根据产生的随机分配序列,为每一受试者制作一份随机分配两联单,并按顺序装订成册,制作成带有封面和使用说明的随机分配簿。两联单的第一联为说明联,第二联为分配联,两联序号相同、四周密封胶联,并在两联的相同区域处留空用于签署受试者信息。第一联书写的内容可完全复写至第二联上;第二联分配信息的背面涂黑印刷,避免透光识别而导致分配信息的提前破解。当研究者确定受试者合格后,依先后顺序选择受试者对应的两联单。在第一联签署受试者信息后沿周边撕开暴露第二联分配信息,并将该受试者分配至第二联上所指定的组别。随机分配薄可委托专业印刷机构。按照随机分配序列表,并在严格的质量控制下印刷制作,对于多中心临床试验可分中心独立印制。结果该方法已在18项临床试验中得到应用,其中5项为多中心试验,3项为产品注册试验。结论两联单随机分配簿方法制作容易、操作简单、监查方便,可有效实现临床试验随机分配遮蔽,对确保随机化质量具有较强的实用价值。