Protein coding RNAs are posttranscriptionally regulated by microRNAs, a class of small noncoding RNAs. Insights in messenger RNA (mRNA) and microRNA (miRNA) regulatory interactions facilitate the understanding of fine...
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Protein coding RNAs are posttranscriptionally regulated by microRNAs, a class of small noncoding RNAs. Insights in messenger RNA (mRNA) and microRNA (miRNA) regulatory interactions facilitate the understanding of fine-tuning of gene expression and might allow better estimation of protein synthesis. However, in silico predictions of mRNA–microRNA interactions do not take into account the specific transcriptomic status of the biological system and are biased by false positives. One possible solution to predict rather reliable mRNA-miRNA relations in the specific biological context is to integrate real mRNA and miRNA transcriptomic data as well as in silico target predictions. This chapter addresses the workflow and methods one can apply for expression profiling and the integrative analysis of mRNA and miRNA data, as well as how to analyze and interpret results, and how to build up models of posttranscriptional regulatory networks. less
Coupling multivariate regression methods to atomic spectrometry is an emerging field from which important advantages can be obtained. These include lower workloads, increased laboratory turnarounds, economy, higher ef...
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Coupling multivariate regression methods to atomic spectrometry is an emerging field from which important advantages can be obtained. These include lower workloads, increased laboratory turnarounds, economy, higher efficiency in method development, and relatively simple ways to take account of complex interferences. In this paper four typical regression methods ( ordinary multiplelinearregression, principal components regression, partial least squares and artificial neural networks) are presented in a practice-oriented way. The main emphasis is placed on explaining their advantages, drawbacks, how to solve the latter and how atomic spectrometry can benefit from multivariate regression. Finally, a retrospective review considering the last sixteen years is made to present practical applications on: flame-, hydride generation-, electrothermal-atomic absorption spectrometry;inductively coupled plasma spectrometry and laser-induced breakdown spectrometry.
Chemical structure and catalytic activity of nonplatinum porphyrin-based electrocatalyst for oxygen reduction is characterized by combination of X-ray photoelectron spectroscopy (XPS) and rotating disk electrode. The ...
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Chemical structure and catalytic activity of nonplatinum porphyrin-based electrocatalyst for oxygen reduction is characterized by combination of X-ray photoelectron spectroscopy (XPS) and rotating disk electrode. The goal of the study is to show how modifications in the molecular structure affect catalytic characteristics and how to use these structural modifications in a purposeful manner to increase catalytic activity. Initial correlation of structure to electrochemical performance is achieved through the application of principal component analysis (PCA) to curve-fits of high-resolution XPS spectra combined with results of electrochemical measurements. Furthermore, a predictive model that describes this correlation is build using the combination of genetic algorithm (GA) and multiplelinearregression (MLR). Based on structure-to-property correlations, two types of active sites responsible for the catalytic activity, i.e., Co associated with pyropolymer and Co particles covered by oxide layer, are determined, and a dual-site for oxygen reduction on cobalt porphyrins is hypothesized, allowing for designing a catalyst structure with optimal performance characteristics.
To predict the 1-octanol/H2O partition coefficient, log P, based on molecular structures, we calculated the solvent accessible surface area and the solvation energy difference of 166 organic molecules between 1-octano...
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To predict the 1-octanol/H2O partition coefficient, log P, based on molecular structures, we calculated the solvent accessible surface area and the solvation energy difference of 166 organic molecules between 1-octanol and water environments with the ab initio molecular orbital self-consistent reaction field method, and then analyzed the relationships among the measured log P values with these two structural quantities by multiple linear-regression analyses. Physicochemically meaningful correlations were obtained, suggesting that non-hydrogen bonding and hydrogen-acceptor molecules behave similarly to each other in partitioning, but that hydrogen-donor molecules behave differently from the former molecules. The results provide a new computational approach for predicting log P.
Nicotine dependence implies a pattern of heavy smoking which is resistant to change, as well as nicotine tolerance, withdrawal, and regulation. The present study attempted to develop a coherent model of cigarette smok...
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