Heat conduction across molecular junctions between nanoparticles

We investigate the problem of heat conduction across molecular junctions connecting two nanoparticles, both in vacuum and in a liquid environment, using classical molecular dynamics simulations. In vacuum, the well-known result of a length independent conductance is recovered; its precise value, however, is found to depend sensitively on the overlap between the vibrational spectrum of the junction and the density of states of the nanoparticles that act as thermal contacts. In a liquid environment, the conductance is constant up to a crossover length, above which a standard Fourier regime is recovered.     

Solid phase synthesis of globomycin and SF-1902 A5

The syntheses of the natural lipocyclodepsipeptide-type antibiotics globomycin and SF-1902 A(5) are reported, utilizing solid phase technology for the construction of the peptidic fragment and a new asymmetric methodology of epoxidation for the preparation of the lipidic chain. The linkage between both fragments was successfully achieved in solid phase to complete the syntheses via a macrolactonization reaction executed prior to the cleavage of the acyclic precursors from the solid support. These syntheses provide access to the rapid generation of a library of analogues via modification of the amino acid residues as well as the lipidic chain, thus facilitating the identification of new antibiotics with interesting mechanisms of action based upon the inhibition of the enzyme signal peptidase II.     

A priori estimates for rough PDEs with application to rough conservation laws

We introduce a general weak formulation for PDEs driven by rough paths, as well as a new strategy to prove well-posedness. Our procedure is based on a combination of fundamental a priori estimates with (rough) Gronwall-type arguments. In particular this approach does not rely on any sort of transformation formula (flow transformation, Feynman–Kac representation formula etc.) and is therefore rather flexible. As an application, we study conservation laws driven by rough paths establishing well–posedness for the corresponding kinetic formulation.     

Spectroscopic and Conductive Properties of Some Charge Transfer Complexes of Iodine

Abstract

The interaction of iodine with donor bases such as neutral red (NR) and 1, 10 -phenanthroline (Ph) have been studied spectrophotometrically in C₂H₅OH. The results indicate the formation of 2:3 charge transfer complexes of the type (base)₂3I₂. Mass, Raman and ¹H NMR spectra have been recorded for each complex. I₃ ^? and I₂ species are observed in these complexes. In addition, the d.c. conductivity is measured in the range (300–400) K°. The energy gap of the ionic conduction has been calculated. The conduction process is thought to involve iodide transfer between polyanions.     

解析电喷雾质谱法对感冒药中对乙酰氨基酚的快速检测

基于常压质谱的直接、快速、无需样品预处理检测的优势,该文拓展了其在药物质检领域的应用。采用自行搭建的解析电喷雾(DESI)装置,对常用感冒药对乙酰氨基酚片进行快速质谱检测,无需样品预处理,直接获得药片中有效成分的分子结构信息。为克服基质差异对定量分析的影响,以淀粉为基质构建对乙酰氨基酚模拟药片,在优化的基础上进行定量实验。针对实际药片中高浓度对乙酰氨基酚检测的需要,研究了其在较高浓度范围的定量关系,结果显示,方法对0.35～4.52 mg/mm²范围内的对乙酰氨基酚具有较好的线性关系(r²=0.998 2),定量下限为1.903 ng/mm²,检出限为0.237 ng/mm²,加标回收率为102%～114%。对3种市售的对乙酰氨基酚片进行直接检测,与厂家提供的标准数据相比,相对标准偏差(RSD)为7.2%～12%,表明方法具有较好准确度。该工作很好地证明了DESI-MS在药品快检中的优势,从而为药品质检提供了潜在的高效、可靠的检测手段。     

黄渤海近岸海域酚类内分泌干扰物分布特征及其来源解析

在黄渤海近岸海域采集了34个水体样品,利用HPLC-MS/MS分析了双酚A、辛基酚、壬基酚、2,4-二氯酚、对叔丁基苯酚和对特辛基苯酚等6种酚类内分泌干扰物的含量,并探讨了其分布特征及来源.结果表明,中国北部近岸海域6种酚类内分泌干扰物的含量范围在5.25～1351.20ng/mL之间.结合因子分析和层次聚类分析结果,说明渤海、黄海近岸海域中酚类化合物主要以辛基酚、壬基酚、2,4-二氯酚为主,局部海域伴有双酚A的高残留;从整个海域范围看,黄渤海近岸海域水体中酚类化合物污染状况具有区域特征,整体呈现出南高北低的特点,且酚类物质分布具有明显的地区特性,一定程度上具有聚集性;来源解析结果表明黄渤海近岸海域中酚类内分泌干扰物主要来源为生活污水和工业废水.     

城市垃圾与煤在CFBC试验台上的混烧试验

城市垃圾的焚烧处理一直是人们关注的研究领域。本文详细报告了一种城市垃圾与劣质煤在0.15兆瓦CFBC试验台上的混烧试验。试验结果表明,城市垃圾与劣质煤在循环流化床中的混烧可以很好地满足稳定和高温燃烧的要求,通过添加石灰石等含钙物料可以有效地在燃烧过程巾控制SO2、HCl和二(?)英类污染物的生成。     

Effect of substituent distribution on water solubility of O-methylcellulose

The effect of substituent distribution on the water solubility of O-methylcellulose (MC) was re-examined to elucidate the lower limit of the degree of substitution (DS) in water-soluble MC. To this end, a series of 2,3-MCs which are regioselectively substituted at the C-2 and C-3 hydroxyl groups were prepared by homogeneous methylation. It was found that the lower limit for the DS value of water-soluble 2,3-MC was almost the same as that for MCs having even distributions of substituents along the cellulose chain as well as in the anhydroglucose units. This revised version was published online in August 2006 with corrections to the Cover Date.     

A study of π andK production in proton-uranium and oxygen-uranium interactions at 22 GeV/A using decay muons

The like-sign dimuons copiously recorded in the NA 38 experiment both inp-U and O?U reactions at 200 GeV/nucleon are interpreted as resulting from decays of π andK mesons in comparable proportions. The ++/?? ratio is large (?1.7) and ascribed to theK ⁺ being more copiously produced than theK ^?. Both the average transverse momentum and the ++/?? ratio are comparable forp-U and O?U reactions, and both increase only slightly with the transverse energyE _T .     

需求可变性降低对均值CVaR约束销售努力决策库存系统的影响

本文运用Levy提出的变换研究需求可变性降低对风险偏好零售商的库存决策、销售努力决策和期望效用的影响,用均值CVaR刻画零售商的风险偏好特性,它包括风险厌恶、风险追求,也具有损失规避的特性。首先,运用该变换定量刻画需求可变性的降低,证明该变换蕴含经典随机占优中的割准则序和二阶随机占优等。其次,给出系统的最优订货量、最优期望效用和最优销售努力水平,得到它们关于风险偏好系数的单调性,并给出降低需求可变性对期望效用的影响。第三,针对风险中性、风险厌恶(最大化CVaR)和风险追求(最小化CVaR)这三种特殊情况得到相应的结果,并给出企业在库存决策和促销决策的管理启示。最后,通过数值例子验证了得到的研究结果并给出相应的管理启示。