基因调控网络推断研究进展

随着高通量技术的发展,越来越多的生物医学组学数据亟需处理与分析,基于运筹优化的生物信息学方法是有效解析高维生物医学数据的重要途径之一。综述了近年来在基因调控网络推断方面的研究进展。针对不同类型的转录组学数据和研究目的,分别建立了相应的基因调控网络推断方法,主要包括先验基因调控网络数据库的建立、基于条件互信息的因果网络推断、基于微分方程的动态基因调控网络推断、转录调控和转录后调控协同作用的网络推断以及基因调控网络活性评价等,并展望了基因调控网络推断的重要研究方向。     

Exploring the relationship between fractal features and bacterial essential genes

Essential genes are indispensable for the survival of an organism in optimal conditions.Rapid and accurate identifications of new essential genes are of great theoretical and practical significance.Exploring features with predictive power is fundamental for this.Here,we calculate six fractal features from primary gene and protein sequences and then explore their relationship with gene essentiality by statistical analysis and machine learning-based methods.The models are applied to all the currently available identified genes in 27 bacteria from the database of essential genes(DEG).It is found that the fractal features of essential genes generally differ from those of non-essential genes.The fractal features are used to ascertain the parameters of two machine learning classifiers:Na¨?ve Bayes and Random Forest.The area under the curve(AUC) of both classifiers show that each fractal feature is satisfactorily discriminative between essential genes and non-essential genes individually.And,although significant correlations exist among fractal features,gene essentiality can also be reliably predicted by various combinations of them.Thus,the fractal features analyzed in our study can be used not only to construct a good essentiality classifier alone,but also to be significant contributors for computational tools identifying essential genes.     

Dynamics of molecular alignment steered by a few-cycle terahertz laser pulse

The field-free alignment of molecule ClCN is investigated by using a terahertz few-cycle pulse (THz FCP) based on the time-dependent density matrix theory. It is shown that a high degree of molecular alignment can be obtained by changing the matching number of the THz FCPs in the adiabatic regime and the non-adiabatic regime. The matching number can affect both the maximum value of the alignment and the time at which it is achieved. It is also found that a higher degree of alignment can be achieved by using the THz FCP at lower intensity and there exists an optimal threshold of molecular alignment with the increase of the field amplitude. Also found is the frequency sensitive region in which the degree of maximum alignment can be enhanced greatly by modulating the center frequencies of different THz FCPs. The investigation demonstrates that comparing with a THz single-cycle pulse, a better result of the field-free alignment can be created by a THz FCP at a constant rotational temperature of molecule.     

Fe部分替代Cu对低钴AB_5型贮氢合金相结构和电化学性能的影响

为了获得既具有较高电化学容量又具有良好循环稳定性的低钴AB5型贮氢合金,研究了Fe部分替代Cu对低钴AB5型贮氢合金相结构和电化学性能的影响.采用真空感应熔炼方法,制备了一系列含Cu和Fe的低钴AB5型贮氢合金LaNi3.55Mn0.35Co0.20Al0.20Cu0.85-xFex(x=0.10,0.20,0.25,0.40,0.60).粉末X射线衍射(XRD)分析表明,合金含有单一CaCu5型六方结构的LaNi5相,Fe部分替代Cu并没有改变合金的本体相结构,但随着Fe含量的增大,晶格参数a,c和晶胞体积V增大.电化学性能测试表明,随着x增加,合金的放电容量和高倍率放电能力降低,但是循环稳定性得到了显著提高.当x从0.10增加到0.60时,合金的200周循环稳定性(S200)从77.6%提高到89.9%.Fe替代Cu有利于提高合金的循环稳定性,这主要是随着Fe替代量增大,晶胞体积增大,晶格体积膨胀率明显减小,合金的抗粉化能力增强.     

用统计力学方法讨论平衡稳定条件

一.引言 1876年吉布斯(J.W.Gibbs)首先论述了物体系的平衡稳定条件,普朗克(M.Planck)也曾用孤立系熵增加原理讨论了单元系与二元系的稳定条件,1948年王竹溪先生用吉布斯的能量最小判据法系统地全面地研究了物体系的平衡稳定条件问题,其结果为对于任一具有l种分子的均匀系统,平衡稳定条件为l 1个独立的不等式: