蠕变损伤问题的有效模量法及差分解

本文在蠕变损伤问题中，以有效模量法将损伤变量引入本构方程，给出相应非线性问题的差分解；并将结果与一维实验数据及有效应力法的结果进行了比较。     

Resonant Formation of Strand Breaks in Sensitized Oligonucleotides Induced by Low‐Energy Electrons (0.5–9 eV)

Halogenated nucleobases are used as radiosensitizers in cancer radiation therapy, enhancing the reactivity of DNA to secondary low‐energy electrons (LEEs). LEEs induce DNA strand breaks at specific energies (resonances) by dissociative electron attachment (DEA). Although halogenated nucleobases show intense DEA resonances at various electron energies in the gas phase, it is inherently difficult to investigate the influence of halogenated nucleobases on the actual DNA strand breakage over the broad range of electron energies at which DEA can take place (<12 eV). By using DNA origami nanostructures, we determined the energy dependence of the strand break cross‐section for oligonucleotides modified with 8‐bromoadenine (^8BrA). These results were evaluated against DEA measurements with isolated ^8BrA in the gas phase. Contrary to expectations, the major contribution to strand breaks is from resonances at around 7 eV while resonances at very low energy (<2 eV) have little influence on strand breaks.     

Laser induced damage studies in mercury cadmium telluride

We have investigated laser induced damage at laser wavelength in diamond paste polished (mirror finish) and carborundum polished Hg_0.8Cd_0.2Te (MCT) samples with increasing fluence as well as number of pulses. Evolution of damage morphology in two types of samples is quite different. In case of diamond paste polished samples, evolution of damage morphological features is consistent with Hg evaporation with transport of Cd/Te globules towards the periphery of the molten region. Cd/Te globules get accumulated with successive laser pulses at the periphery indicating an accumulation effect. Real time reflectivity (RTR) measurement has been done to understand melt pool dynamics. RTR measurements along with the thermal profile of the melt pool are in good agreement with thermal melting model of laser irradiated MCT samples. In case of carborundum polished samples, laser damage threshold is significantly reduced. Damage morphological features are significantly influenced by surface microstructural condition. From comparison of the morphological features in the two cases, it can be inferred that laser processing of MCT for device applications depends significantly on surface preparation conditions.     

蠕变－弹塑性－损伤耦合响应的有限元分析

本文处理各向异性非线性材料的蠕变。弹塑性－损伤耦合响应的数值计算。建议了一个计算应力的三级向后欧拉积分算法。导出了一个利用Ｎｅｗｔｏｎ－Ｒａｐｈｓｏｎ迭代的一般的直接应力返回映射算法。同时求解应力向量和蠕变、塑性、损伤的内状态变量。也导出了用于全局Ｎｅｗｔｏｎ－Ｒａｐｈ－ｓｏｎ迭代过程的一致性切线矩阵公式。给出的数值例题结果表明所提出的算法和公式在模拟耦合本构行为上的能力和可靠性。     

考虑损伤界面的多相复合材料总体平均力学性能的预测

在广义自洽有限元迭代法￣［１］的基础上研究了损伤界面对多相复合材料的总体平均横向力学性能的影响。给出了对于不同体分比和损伤界面性质的典型复合材料的数值结果。数值分析表明损伤界面的厚度及其损伤程度对复合材料总体平均横向平面应变体积模量和剪切模量有显著影响。本文还计算了损伤界面区域的局部应力场。     

Insight into the Mechanism of the Initial Reaction of an OH Radical with DNA/RNA Nucleobases: A Computational Investigation of Radiation Damage

Earlier theoretical investigations of the mechanism of radiation damage to DNA/RNA nucleobases have claimed OH radical addition as the dominating pathway based solely on energetics. In this study we supplement calculations of energies with the kinetics of all possible reactions with the OH radical through hydrogen abstraction and OH radical addition onto carbon sites, using DFT at the ωB97X‐D/6‐311++G(2df,2pd) level with the Eckart tunneling correction. The overall rate constants for the reaction with adenine, guanine, thymine, and uracil are found to be 2.17×10^?12, 5.64×10^?11, 2.01×10^?11, and 5.03×10^?12 cm³ molecules^?1 s^?1, respectively, which agree exceptionally well with experimental values. We conclude that abstraction of the amine group hydrogen atoms competes with addition onto C₈ as the most important reaction pathway for the purine nucleobases, while for the pyrimidine nucleobases addition onto C₅ and C₆ competes with the abstraction of H₁. Thymine shows favourability against abstraction of methyl hydrogens as the dominating pathway based on rate constants. These mechanistic conclusions are partly explained by an analysis of the electrostatic potential together with HOMO and LUMO orbitals of the nucleobases.     

Experimental and theoretical investigation effect of flavonols antioxidants on DNA damage

A new electrochemical biosensor was developed to demonstrate the effect of Acridine Orange (AO) on DNA damage. Then, the biosensor was used to check the inhibitors effect of three flavonols antioxidants (myricetin, fisetin and kaempferol) on DNA damage. Acridine Orange (AO) was used as a damaging agent because it shows a high affinity to nucleic acid and stretch of the double helical structure of DNA. Decreasing on the oxidation signals of adenine and guanine (in the DNA) in the presence of AO were used as probes to study the antioxidants power, using DNA-modified screen printed graphene electrode (DNA/SPGE). The results of our study showed that the DNA-biosensor could be suitable biosensor to investigate the inhibitors ability of the flavonols antioxidants on the DNA damage. The linear dependency was detected in the two regions in the ranges of 1.0–15.0 and 15.0–500.0 pmol L⁻¹. The detection limit was found 0.5 pmol L⁻¹ and 0.6 pmol L⁻¹ for guanine and adenine, respectively. To confirm the electrochemical results, Uv–Vis and fluorescence spectroscopic methods were used too. Finally molecular dynamic (MD) simulation was performed on the structure of DNA in a water box to study any interaction between the antioxidant, AO and DNA.     

浅谈2015年诺贝尔化学奖:DNA的损伤修复

DNA是生物体发挥功能的遗传基础,随时都承受着来自体内或体外环境的各种压力。这些压力可以使DNA的化学结构发生变化,即产生"DNA损伤";如果这些损伤不能被及时修复,会对生命体产生严重的后果。为了应对这样的挑战,细胞存在一系列的DNA损伤修复机制;这些机制的存在使得基因组在很长的时间内得以稳定维持。2015年度诺贝尔化学奖授予了托马斯·林达尔、保罗·莫德里奇以及阿齐兹·桑贾尔,以表彰他们在DNA损伤修复研究领域的杰出贡献。本文简述了DNA损伤修复机制研究的发展历程及其与人类健康密不可分的联系。     

Heat source and voiding signatures of Mullins damage in filled EPDM

The thermomechanical coupling of Mullins damage in filled EPDM has been investigated by analysing the self-heating via Infrared thermography (IR) and the voiding fraction by Digital Image Correlation (DIC). The volumetric strain measured during the rubber deformation is found to be predominantly associated with damage, while thermal dilatation caused by self-heating has a negligible contribution. On this basis, the thermomechanical coupling of Mullins phenomena has been identified by evaluating the strain and time dependence of the following criteria: the tangent modulus, the voiding rate and the heat sources. The tangent modulus that reaches a maximum at the strain transition from a series of cycle to another is found to be an appropriate mechanical signature of Mullin softening. At the same strain transition, both voiding rate upturn and heat source upturn are observed. These signatures suggest the Mullins damage to be mainly associated at high strain rate with the (re)-activation of dissipative cavitation mechanisms, by nucleation of new cavities and/or acceleration of cavities growth.