Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

Simultaneous determination of mycotoxin in commercial coffee

Mycotoxins are secondary metabolites produced by filamentous fungi that usually contaminate food products. Coffee is a natural product susceptible to mycotoxin contamination. The present study evaluates the presence of nivalenol, deoxynivalenol, T-2 and HT-2 Toxin, diacetoxyscirpenol, aflatoxin B₁, aflatoxin B₂, aflatoxin G₁, aflatoxin G₂, fumonisin B₁, fumonisin B₂, ochratoxin A, zearalenone, enniatin A, enniatin A₁, enniatin B, enniatin B₁, and beauvericin in coffee samples, using liquid chromatography tandem mass spectrometry (LC-MS/MS). The results show that zearalenone was not present in any sample. In the positive samples the contents of fumonisins ranged from 58.62 to 537.45 μg/kg, emerging mycotoxins ranged from 0.10 to 3569.92 μg/kg, aflatoxins ranged from 0.25 to 13.12 μg/kg, and trichothecenes, excepting nivalenol, ranged from 5.70 to 325.68 μg/kg. Nivalenol presented the highest concentrations, from 0.40 to 25.86 mg/kg. Ochratoxin A ranged from 1.56 to 32.40 μg/kg, and five samples exceeded the maximum limit established by the European Commission.     

On‐the‐Spot Immobilization of Quantum Dots,Graphene Oxide,and Proteins via Hydrophobins

Class I hydrophobin Vmh2, a peculiar surface active and versatile fungal protein, is known to self‐assemble into chemically stable amphiphilic films, to be able to change wettability of surfaces, and to strongly adsorb other proteins. Herein, a fast, highly homogeneous and efficient glass functionalization by spontaneous self‐assembling of Vmh2 at liquid–solid interfaces is achieved (in 2 min). The Vmh2‐coated glass slides are proven to immobilize not only proteins but also nanomaterials such as graphene oxide (GO) and quantum dots (QDs). As models, bovine serum albumin labeled with Alexa 555 fluorophore, anti‐immunoglobulin G antibodies, and cadmium telluride QDs are patterned in a microarray fashion in order to demonstrate functionality, reproducibility, and versatility of the proposed substrate. Additionally, a GO layer is effectively and homogeneously self‐assembled onto the studied functionalized surface. This approach offers a quick and simple alternative to immobilize nanomaterials and proteins, which is appealing for new bioanalytical and nanobioenabled applications.     

HEGF中CO井筒流动及扩散规律研究

目前,高能气体压裂广泛的应用于低渗透油气田,可以有效清除近井地带由于钻井、射孔和各种措施造成的污染和堵塞,达到油气井增产、注水井增注的目的。但最近一些低渗透油气田却出现了频繁的CO气体中毒事件,给油田及员工带来巨大的损失。针对这一现象,运用现场数据以及物理模拟和数学模拟方法首次通过对CO气体流动、扩散等的综合研究,建立了CO井筒流动及大气扩散模型。同时,也考察了井筒压力、气油比、风速、气体泄放速率、大气稳定度等主要因素对CO气体扩散的影响。通过现场实例计算,证实模型具有较高的准确性。此项工作的完成为建立监控系统提供基础技术依据,同时对合理、有效的开发油气田以及煤层气的开发将具有重要的实际意义。     

Effects of Rare Earths on Toughness of 31Mn2SiRE Wear-Resistance Cast Steel

The toughness of 31Mn2SiRE wear-resistance cast steel were increased by means of RE compound modification and high temperature austenitizing. The results show that the microstructures can be refined, needle and network ferrite are eliminated, the dislocation density and the quantity of dislocated martensite are increased remarkably, and the shape and distribution of inclusions are improved by the addition of RE. Therefore, the mechanical properties of the modified steel can be greatly increased, especially the toughness (αK) by 44%, yield strength (σs) by 10%, and elongation (δ5) by 42%.     

CO2激光治疗皮肤基底细胞癌14例临床观察

目的 :探求一种简单 ,安全 ,效果好的基底细胞癌的治疗方法。方法 :对 1 4例基底细胞癌患者在局麻下用CO2 激光行基底细胞癌切除术或切除 +气化术。结果 :患者术中、术后出血少 ,伤口恢复快 ,愈合良好 ,疤痕表浅 ,随访未见复发。结论 :CO2 激光用于治疗基底细胞癌效果良好 ,无明显副作用 ,操作简单值得推广。     

湘中海相浅层湘冷1井酸压工艺研究及应用

湘冷1井具有气层埋藏浅（400m-500m）、纵向上裂隙发育的特点，属低孔、低渗的含泥质灰岩致密储层。大量室内实验和研究采用“前置液酸压＋闭合酸化”工艺技术，并优选了相应降阻酸和闭合酸配方。通过酸压实现了该井工业油气流的突破，取得了明显的增产效果，为新区海相浅层气的开发探索出了一套成熟的改造增产措施。     

Ni-Al2O3纳米复合电镀工艺的初步研究

初步研究了复合电镀各工艺条件：电流密度、镀液pH值和温度以及搅拌方式对Al2O3纳米微粒在镍基复合镀层中含量的影响。研究表明：电流密度增大不利于提高镀层中纳米微粒的含量；pH值增大也明显使复合量降低;镀液温度升高，镀层中微粒的复合量随之略有改变；电镀时，加强搅拌或适当改变搅拌方式，可以使复合镀居中的纳米微粒含量提高。还利用扫描电镜及能谱对Ni-Al2O3镀层表面进行了观察与分析。     

声波测井换能器激发响应实验研究

声波测井换能器的激发响应由换能器振动时所表现出来的动态阻抗和激发电路参数决定。而换能器的动态（阻抗）参数随压电晶体及其装配方式（力学边界条件）改变。为了测量换能器动态参数的影响，采用声波测井仪器常用的压电晶体和升压变压器，通过改变激发脉冲宽度和直流电压进行了实验，结果发现：在换能器两端的瞬态响应中，一共有三个二阶网络响应，分别对应于不同的频率。最低的一个影响声波测井波形的基线、与换能器主频接近的一个决定激发效率以及电路与压电晶体之间的匹配关系，是激发电路设计中比较关键的，其参数可以通过导纳圆测量仪器得到。