Porous Co(3)O(4) nanowires with large aspect ratio have been obtained by annealing long Co(CO(3))(0.5)(OH)·0.11H(2)O precursor nanowires synthesized by a facile hydrothermal method. The results show that the amount of the additive (urea) has an important impact on the morphology of the as-synthesized cobalt-carbonate-hydroxide intermediate, where the uniformity and the overall structure can be controlled by changing the urea concentration. After the heat treatment, the as-obtained phase-pure Co(3)O(4) nanowires with a well retained structure are applied as the electrode material for supercapacitors, and the sample exhibits excellent performance with a high specific capacitance of 240 F g(-1) after 2000 charge/discharge cycles, corresponding to a retention of 98% of the initial capacitance.

We present a feature functional theory -binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) representability: there exists a microscopic feature vector that can uniquely characterize and distinguish one protein-ligand complex from another; ii) feature-function relationship: the macroscopic features, including binding free energy, of a complex is a functional of microscopic feature vectors; and iii) similarity: molecules with similar microscopic features have similar macroscopic features, such as binding affinity. Physical models, such as implicit solvent models and quantum theory, are utilized to extract microscopic features, while machine learning algorithms are employed to rank the similarity among protein-ligand complexes. A large variety of numerical validations and tests confirms the accuracy and robustness of the proposed FFT-BP model. The root mean square errors (RMSEs) of FFT-BP blind predictions of a benchmark set of 100 complexes, the PDBBind v2007 core set of 195 complexes and the PDBBind v2015 core set of 195 complexes are 1.99, 2.02 and 1.92 kcal/mol, respectively. Their corresponding Pearson correlation coefficients are 0.75, 0.80, and 0.78, respectively.

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Multi-shelled manganese oxide hollow microspheres can be synthesized via an anion-adsorption process of hydrothermal intensification with controlled valence and shell number.