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.     

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。     

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。     

超稠油三元复合吞吐技术

辽河油田曙一区超稠油蒸汽吞吐井随吞吐轮次增高,地层亏空严重,周期递减迅速,采油成本增加.辽河油田特种油开发公司研究的超稠油三元复合吞吐技术,通过CO2、表面活性剂的注入,产生调剖、溶解、降粘等综合作用,有效改善了超稠油在地层的流动性,提高蒸汽吞吐效果.自2002年9月开始对该技术的施工工艺和施工参数进行不断改进与完善,初步形成适合于超稠油油藏地质特点的三元复合吞吐工艺技术.至2005年底,累计实施340井次,措施有效率86.1%,平均单并周期增油494 t,投入产出比为1:5.3,取得了明显的增油效果,经济效益显著,为超稠油油井高效稳产、增产提供了一条有效途径.     

北部湾盆地福山凹陷CO2气成因探讨

北部湾盆地福山凹陷油气钻探中发现了高含CO₂气的天然气气藏。对CO₂气稳定碳同位素、伴生稀有气体氦和氩同位素进行了分析研究，结果显示，福山凹陷CO₂气稳定碳同位素偏重，(13C_CO2为-5.01～-10.08‰，绝大多数样品大于-7.0‰，为无机成因CO₂气特征；伴生稀有气体氦同位素³He/⁴He值为(4.74~5.03)×10^-6，R/Ra值为3.38～3.59；伴生稀有气体氩同位素⁴⁰Ar/³⁶Ar值为1881～2190，也显示出幔源或壳幔混合CO₂气的特征。综合判定认为，福山凹陷CO₂为壳幔混合成因。始新统流沙港组岩浆岩体分布特征与CO₂气藏分布范围基本一致，也表明幔源-岩浆可能是福山凹陷CO₂气的主要来源。与南海北部边缘盆地其它地区如珠江口盆地西部、琼东南盆地东部CO₂气成因一致，都为幔源-岩浆来源，或壳幔混合来源。