Inhibition of yeast‐to‐filamentous growth transitions in Candida albicans by a small molecule inducer of mammalian apoptosis

The opportunistic fungal pathogen of humans Candida albicans is able to grow in different morphological forms such as round or oval yeasts and filamentous hyphae and pseudohyphae. Morphogenesis, the ability to switch between the yeast and filamentous growth forms, is important for adapting to new microenvironments in the human host and for pathogenesis. The molecular pathways governing morphogenesis are complex and incompletely understood. Previously, we identified several small organic molecules that specifically inhibit the initiation of hyphal growth in C. albicans without affecting cell viability or budded growth. One molecule from that screen is known to induce apoptosis in mammalian cells. In this study, we have screened additional inducers of mammalian apoptosis and identified BH3I‐1, as well as several structural derivatives of BH3I‐1, that act as specific inhibitors of morphogenesis under a variety of environmental conditions. Chemical epistasis experiments suggest that BH3I‐1 acts downstream of the hypha‐specific gene regulators Rfg1, Nrg1 and Ume6.     

Carboxylic acid mediated self-assembly of small molecules for organic thin film transistors

A p-type small molecule bearing dicarboxylic acid functional group (–COOH) is synthesized and evaluated for field-effect transistor properties. We discover and report for the first time, that the –COOH groups assist in the passivation of surface traps on the dielectric layer and simultaneously facilitate the self-assembly of the molecules via inter-molecular hydrogen bonding resulting in crystalline active channels. A 9-fold decrease in the threshold voltage was observed for the transistors made using the –COOH functionalized molecule, QT-DA, compared to its ester analogue, QT-ES, providing an evidence of surface passivation. This resulted in an increase in the hole mobility of QT-DA by up to 2 orders of magnitude. It was shown that QT-DA adopts a vertical alignment with respect to the substrate due to preferential interaction between the –COOH groups and the SiO₂ surfaces.     

Tetrabutyl-tetraphenyl-diindenoperylene derivatives as alternative green donor in bulk heterojunction organic solar cells

We present the material 2,3,10,11-tetrabutyl-1,4,9,12-tetraphenyl-diindeno[1,2,3-cd:1′,2′,3′-lm] perylene (Bu4-Ph4-DIP) as alternative green donor for bulk heterojunction small molecule organic solar cells (SMOSC). It is shown that Bu4-Ph4-DIP exhibits suitable absorption characteristics to be a potential material to fill the absorption gap between the commonly used standard absorbers ZnPc and C₆₀.Devices with bulk heterojunctions of Bu4-Ph4-DIP:C₆₀ display very high open circuit voltages of 0.99 V, high fill factors of up to 57%, and experiments yield promising efficiencies of η>2%. Such green-blue absorbing SMOSC are characterized by current voltage and external quantum efficiency measurements, and material properties are studied. It is shown that the devices are responsive to substrate heating, and that different donor-acceptor mixing ratios can increase device performance. Possible influences of mixing ratio and heating on device morphology and electrical properties are discussed.     

水在高温硫化硅橡胶中的扩散特性研究

水分侵入是造成复合绝缘子高温硫化硅橡胶伞裙、护套材料老化的主要因素之一。为了获得能够准确描述水分子在硅橡胶中扩散的扩散模型和扩散特性,使用固体核磁共振(nuclear magnetic resonance,NMR)技术,分析了水分子在硅橡胶中的存在状态;并通过称重法试验,获得了水分子在硅橡胶中扩散时硅橡胶的增重曲线。研究表明,水分子在硅橡胶中存在"自由态"和"结合态"两种不同的状态。固体核磁共振和称重法的试验结果都表明,水分子在硅橡胶中的扩散过程符合Langmuir扩散模型,而不符合经典的Fick扩散模型。同时研究了水分子扩散过程的影响因素,结果发现:自由态水分子的含量随温度的升高而增加,结合态水分子的含量随温度的升高而降低,且温度对扩散系数的影响符合经典的Arrhenius方程;硅橡胶中的氢氧化铝(ATH)填料含量的增加会导致结合态水分子含量的增加,但ATH含量对自由态水分子含量的影响不显著。     

基于共存理论的转炉脱磷热力学分析

为了定量研究温度、炉渣成分、钢液成分对转炉磷分配比和平衡磷含量的影响,基于共存理论建立转炉炼钢六元渣系的组元活度计算模型和磷分配比L_P计算模型,将磷分配比模型计算结果与转炉炼钢实测磷分配比进行对比,发现两者吻合较好。定量计算结果表明,当炉渣碱度为3.8时,钢液温度从1 640升到1 680 ℃,平衡磷质量分数从0.011 5%增加至0.019 8%。同时定量计算了炉渣碱度及氧化铁含量变化对平衡磷含量的影响,但实际炉渣控制需要考虑炉渣黏度、铁损及炉衬侵蚀。转炉吹炼终点钢中元素含量数量级较小,计算表明终点成分变化对磷活度系数的影响不大,各元素对脱磷的影响主要体现在冶炼初期和过程。     

“动态超分子”假说预测烷烃吸收CO2相平衡

采用“动态超分子假说”对烷烃吸收CO₂相平衡进行了研究,并结合最小二乘法和试算对烷烃数据进行拟合,得到相关参数,拟合值和文献实验值的线性相关度均大于0.95,符合良好。研究表明,烷烃分子之间形成的同种“动态超分子”对吸收过程影响较大,远远大于CO₂同种超分子和溶剂与CO₂之间形成的异种超分子,而且其随着烷烃碳链增加,“动态超分子”形成概率和稳定性均降低,吸收能力逐渐增强。文中还研究了模型参数对拟合结果的影响,及其最佳取值范围。     

气相色谱法测定乙烯中微量乙炔的方法改进

将国标GB/T3395-93测定乙烯中微量乙炔的方法进行了改进,采用大口径碳分子筛石英毛细管柱代替了原方法中的填充柱,对色谱操作条件进行了优化,该法具有分析速度快、重复性好、准确度高的特点,适用于乙烯产品及中控的分析,有较大的实用价值。     

有机磷农药气相色谱保留值与其化学结构关系的研究

对23种有机磷农药的气相色谱相对保留值与其化学结构的关系进行了探讨.参照图论法对分子中各种基团进行了分类.采用多元线性拟合法,求出了农药分子中各种基团的个数与其气相色谱保留值关系的回归方程,能得到方程的预测值与实验测定的色谱相对保留值一致的结果.     

基于傅里叶变换-离子回旋共振质谱的离子碰撞截面测量方法及应用

傅里叶变换-离子回旋共振质谱(FT-ICR MS)具有较高的分辨率和串联质谱分析能力。离子在分析池中做回旋运动时,镜像电流会因离子与中性分子发生碰撞而逐渐衰减。基于此,通过选择合适的理论模型,并结合相应的算法,可推算出离子的碰撞截面(CCS)。该方法无需增加仪器硬件成本,可通过直接分析高分辨质谱数据获取离子结构信息。近年来,随着FT-ICR MS仪器的发展和推广,该方法得到快速发展。本文综述了此类方法使用的碰撞模型、利用时域和频域信号进行数据分析的不同方法及特点,虽然提供的离子CCS数据的可靠性和准确度有待进一步提高,但在离子的动态CCS测量以及离子异构化的研究中表现出独特优势。该方法可进一步与离子淌度技术相结合,借助FT-ICR MS较高的质量分辨能力和离子操控能力,提供多维度的离子结构信息。