A near-infrared Fourier transform Raman spectroscopy of epidermal keratinocytes: changes in the protein-DNA structure following malignant transformation

We report here the use of near-infrared (NIR) Fourier transform (FT) Raman spectroscopy to analyze normal human epidermal keratinocytes prior to and following malignant transformation. Our analysis indicates specific Raman spectral differences between immortalized (HPK1A) and malignant ras transformed (HPK1A-ras) cells. In addition, striking spectral differences are seen in the DNA isolated from these cells and particularly in the 843/810 cm(-1) ratio with values of 1.6 +/- 0.13 in HPK1A cells and 0.68 +/- 0.09 in HPK1A-ras cells (mean +/- S.D., n = 12, P < 0.001) indicating specific alterations in the backbone conformation markers following malignant transformation. Subsequently, we analysed the effect of a strong inhibitor of keratinocyte growth, the Vitamin D analog EB1089, on the Raman spectra of intact cells and on the 843/810 cm(-1) ratio in the DNA isolated from both cell lines. Specific changes were observed in intact cells in the 1300-750 cm(-1) region. Furthermore, the 843/810 cm(-1) ratio of isolated DNA from HPK1A cells was not affected by EB1089 but significantly increased in DNA isolated from HPK1A-ras cells so much that it became closer to the value observed for HPK1A cells (1.07 +/- 0.10). Our data suggest that Raman analysis of DNA and in particular the 843/810 cm(-1) ratio can provide useful indices of malignant transformation and efficacy of anticancer agents.     

芳基三氮烯4-位取代基对抗癌活性影响的构象分析

传统的药物设计和新药开发主要是依靠随机筛选,这种方法误差大,且需要费大量时间和经费,其结果也经常不能达到预期的设想。即使是一个国际性的大制药集团,每年平均要合成上万个化合物才能从中筛选出一个可以成为商品的新药。这种状况迫使我们去寻找一条新的打破常规的途径研究新药。近年来,随着计算机图形系统的广泛应用,对药物构效关系的研究得到了卓有成效的发展,取得了一些成功的例子。如抗菌抗癌琥珀酰-L脯氨酸就是计算化学与分子图形技术相结合的成果,目前已投放市场。     

Improved estimation of duality gap in binary quadratic programming using a weighted distance measure

We present in this paper an improved estimation of duality gap between binary quadratic program and its Lagrangian dual. More specifically, we obtain this improved estimation using a weighted distance measure between the binary set and certain affine subspace. We show that the optimal weights can be computed by solving a semidefinite programming problem. We further establish a necessary and sufficient condition under which the weighted distance measure gives a strictly tighter estimation of the duality gap than the existing estimations.     

Efficient Oxidation of Sulfides Catalyzed by Transition Metal Salts with Molecular Oxygen in the Presence of Aldehydes

Oxidation of sulfides to sulfoxides and sulfones was achieved in moderate to high yields with a good selectivity, by using Fe₂O₃, MnO₂, Cu(OH)₂ and Cu(OAc)₂ as catalyst, with molecular oxygen in the presence of isovaleraldehyde under mild conditions.     

An Ultrasensitive Electrochemical Immunosensor for Nonylphenol Leachate from Instant Noodle Containers in Southeast Asia

Nonylphenols (NPNs) are persistent endocrine disruptors and their release into the environment is causing increasing concern about their impact on human health. Herein, an ultrasensitive electrochemical immunosensor was developed for the detection of NPNs in the leachates from 61 instant noodle containers (INCs) from 8 countries across Southeast Asia. Gold nanoclusters (AuNCs) were self-assembled with reduced graphene oxide (rGO; polyethylenimine–rGO) and used to modify a glassy carbon electrode (GCE), which showed excellent electrical conductivity. An anti-NPN antibody was then immobilized on the AuNCs and, if it specifically bound NPN, the reduction in conductivity of the GCE was remarkable. The designed immunosensor has a low detection limit (5.25 ng L⁻¹) and high sensitivity for NPNs in the leachates of INCs. Remarkably, the leaching of estrogen-like compounds from different plastics of INCs and the correlation between NPN content and total estrogenic activity were thoroughly investigated. High temperatures caused polyethylene and polystyrene INCs to release more estrogen-like compounds than that of polypropylene INCs; this increased release of NPNs was associated with higher estrogen activity in living cells. These data fill the gap in human and environmental exposure to estrogen-like compounds through INCs.     

Measuring grain rotation at the nanoscale

In this paper, we introduced a method to measure grain rotation of nanomaterials under external stress using a high pressure diamond anvil cell and the Laue microdiffraction technique at a synchrotron facility. We used tungsten carbide marker crystals to investigate grain rotation activities of 3 and 500?nm nickel media. Our results show that the grain rotation of 3 and 500?nm nickel nanocrystals increase with pressure and finally rotation of 500?nm nickel tends to stop at a lower pressure/stress level than 3?nm nickel. 3?nm nickel nanocrystals show a higher rotation magnitude than 500?nm nickel nanocrystals. Our measurements show an effective method to study the grain rotation of nanomaterials especially in ultrafine nanocrystals.     

D001树脂吸附铁离子穿透曲线的平衡级模型建立与验证

对D001树脂吸附含酸废水中铁离子的过程进行了研究。对其吸附等温方程进行拟合,同时,建立平衡级模型对动态吸附小试和扩大实验的穿透曲线进行拟合和预测。结果表明,D001树脂吸附铁离子的过程符合Langmuir等温吸附模型;在固定床吸附小试及扩大实验中,平衡级模型对D001树脂动态吸附铁离子的穿透曲线均能较好地拟合,该模型将传质速率方程从穿透曲线中分离出来;通过平衡级模型计算得到,在泄漏控制点较低时,固定床的理论级数对透过液量的影响较大。