ECoFFeS: A Software Using Evolutionary Computation for Feature Selection in Drug Discovery

Feature selection is of particular importance in the field of drug discovery. Many methods have been put forward for feature selection during recent decades. Among them, evolutionary computation has gained increasing attention owing to its superior global search ability. However, there still lacks a simple and efficient software for drug developers to take advantage of evolutionary computation for feature selection. To remedy this issue, in this paper, a user-friendly and standalone software, named ECoFFeS, is developed. ECoFFeS is expected to lower the entry barrier for drug developers to deal with feature selection problems at hand by using evolutionary algorithms. To the best of our knowledge, it is the first software integrating a set of evolutionary algorithms (including two modified evolutionary algorithms proposed by the authors) with various evaluation combinations for feature selection. Specifically, ECoFFeS considers both single-objective and multi-objective evolutionary algorithms, and both regression- and classification-based models to meet different requirements. Five data sets in drug discovery are collected in ECoFFeS. In addition, to reduce the total analysis time, the parallel execution technique is incorporated into ECoFFeS. The source code of ECoFFeS can be available from https://github.com/JiaweiHuang/ECoFFeS/

Self-assembled GaInNAs/GaAsN quantum dot lasers: solid source molecular beam epitaxy growth and high-temperature operation

Self-assembled GaInNAs quantum dots (QDs) were grown on GaAs (001) substrate using solid-source molecular-beam epitaxy (SSMBE) equipped with a radio-frequency nitrogen plasma source. The GaInNAs QD growth characteristics were extensively investigated using atomic-force microscopy (AFM), photoluminescence (PL), and transmission electron microscopy (TEM) measurements. Self-assembled GaInNAs/GaAsN single layer QD lasers grown using SSMBE have been fabricated and characterized. The laser worked under continuous wave (CW) operation at room temperature (RT) with emission wavelength of 1175.86 nm. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm2from a GaInNAs QD laser (50 × 1,700 µm2) at 10 °C. High-temperature operation up to 65 °C was demonstrated from an unbonded GaInNAs QD laser (50 × 1,060 µm2), with high characteristic temperature of 79.4 K in the temperature range of 10–60 °C

A genetic polymorphism and its genetic effects on goat myogenin gene in intron 1

Single nucleotide polymorphisms (SNPs) of the myogenin (MyoG) gene were tested using primer induced restriction fragment length polymorphism assay-polymerase chain reaction (PIRA-PCR) from Bore goat and its upgrading offspring to Tangshan diary goat (including F1, F2 and F3). The effects of the myogenin gene on the birth weight, 1-month body weight and the weaning weight were also analyzed. On the basis of the DNA sequence of the goat myogenin gene (FJ607135), primers were designed to amplify myogenin gene. The result showed that one polymorphism (transition of g.558C>T) was found in intron 1 of goat myogenin gene, in which two alleles (A and B) and three genotypes (AA, AB and BB) were examined. The distributions of three genotypes were basically identical in four goat populations, and allele A was the dominant gene. The effect of the myogenin genotypes on the birth weight, 1-month body weight and the weaning weight were all not significant (P > 0.05) due to the small number of BB gaots; however, the values of AA genotype goats and AB genotype goats were obviously higher than those of BB genotype goats for three growth traits, in the order of AA > AB > BB. These results suggest that the myogenin genotype has some effects on partial growth traits of goat, and selecting the individuals with A allele could be favorable to the birth weight, 1-month body weight and the weaning weight.Key words: goats, myogenin gene, primer induced restriction fragment length polymorphism assay-polymerase chain reaction (PIRA-PCR), genetic polymorphisms, genetic effects

A pore-expanded supramolecular organic framework and its enrichment of photosensitizers and catalysts for visible-light-induced hydrogen production

A pore-expanded three-dimensional supramolecular organic framework SOF-bpb, with a previously unattained aperture size of 3.6 nm, has been constructed in water from the co-Assembly of cucurbit[8]uril (CB[8]) and a tetraphenylmethane-cored 1,4-bis(pyridin-4-yl)-benzene-Appended building block M1. The periodicity of SOF-bpb in water and in the solid state has been confirmed using synchrotron X-ray scattering and diffraction experiments. SOF-bpb can adsorb anionic and neutral Ru complex photosensitizers and anionic Wells-Dawson-Type and Keggin-Type polyoxometalates (POMs). The adsorption leads to an important enrichment effect, which remarkably increases the catalytic efficiency of the Ru complex-POM systems for visible light-induced reduction of protons to produce H . The expanded aperture of SOF-bpb also facilitates light absorption of the adsorbed Ru complex photosensitizers and electron transfer between excited complexes and the POM catalysts, leading to enhanced photocatalytic activities as compared with the prototypical SOF that has an aperture size of 2.1 nm. 2+ 2+ 2+

Literature review and analysis of the development of health outcomes assessment instruments in Chinese medicine

OBJECTIVE: To evaluate the development of health outcomes assessment instruments in Chinese medicine. METHODS: A comprehensive literature search for all published articles in China National Knowledge Infrastructure Database, Chongqing VIP Database and WANFANG Data was conducted. The studies that met the inclusion and exclusion criteria were used to extract information according to a predesigned assessment instrument. RESULTS: A total of 97 instruments for health outcome assessment in Chinese medicine were identified. Of these questionnaires, 7 were generic, 12 were condition-specific and 78 were disease-specific. All instruments were suitable for adults, children, and both men and women. These instruments aimed to evaluate the health-related quality of life, signs and symptoms as well as patient satisfaction and doctor-reported outcome. However, the descriptions were poorly constructed for some of the most basic parameters, such as the domains and items, administrative mode, response options, memory recall periods, burden evaluation, format, copyright, content validity, and other properties. CONCLUSION: The instrument development for health outcomes assessment in Chinese medicine is increasing rapidly; however, there are many limitations in current methodologies and standards, and further studies are needed. © 2013 Feng-bin Liu et al

Minimal set of generators of controllability space for singular linear dynamical systems

Due to the significant role played by singular systems in the form E ¿ x ( t ) = Ax ( t ) , on mathematical modeling of science and engineering problems; in the last years recent years its interest in the descriptive analysis of its structural and dynamic properties. However, much less effort has been devoted to studying the exact con- trollability by measuring the minimum set of controls needed to direct the entire system E ¿ x ( t ) = Ax ( t ) to any desired state. In this work, we focus the study on obtaining the set of all matrices B with a minimal number of columns, by making the singular system E ¿ x ( t ) = Ax ( t ) + Bu ( t ) controllable.Postprint (author's final draft

Ottelia fengshanensis, a new bisexual species of Ottelia (Hydrocharitaceae) from southwestern China

Ottelia fengshanensis, a new species (Hydrocharitaceae) from southwest China is here described and illustrated. Comparing its morphological features to putative close relatives O. guanyangensis, it has 3-4 flowers (vs. 2-5) each spathe, hexagonal-cylindric fruit, white styles (vs. yellow), green leaves (vs. dark green) and fruit tiny winged (vs. winged obviously). Molecular phylogenetic investigation of four DNA sequences (ITS, rbcL, trnK5' intron and irnS-irnG) and the Poisson Tree Processes model for species delimitation (PTP) analysis, further resolves O. fengshanensis as a new species that is close to O. guanyangensis with distinct support