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Typical algorithms for deep learning include DNN (deep neural network), CNN (convolution neural network), and RNN (recurrent neural network) algorithms. Among them, RNN is excellent at dealing with sequential data. Sequential data such as time series data can be handled without losing gradient by LS...

The catalytic activity of a series of Ru-PNP pincer ligand complexes was studied in the direct amination of alcohols with ammonia. It turned out that all complexes of PNP ligands bearing a secondary amine showed no activity in this hydrogen-shuttling reaction sequence, while all complexes of homologous ligands bearing a tertiary amine gave active catalysts. Further comparative studies on catalysts bearing an acridine-based PNP pincer ligand and a PNP ligand of the Xantphos family provided valuable mechanistic insight that led to the design of a highly active catalyst. It appears that in the group of ligands studied here only ligands that do not form stable Ru-amido complexes are active alcohol amination catalysts.

The selective hydrogenation of aromatic and aliphatic nitriles into amines and imines is described. Using a ruthenium pincer complex, the selectivity towards amines or imines can be controlled by simple parameter changes. The reactions are conducted under very mild conditions between 50–100 °C at 0.4 MPa H2 pressure without any additives at low catalytic loadings of 0.5–1 mol %, which results in quantitative conversions and high selectivity.

In this paper the synthesis and characterisation of ruthenium dihydrogen complexes bearing rigid aliphatic PNP pincer-type ligands are described. As one result hydride complexes were synthesised in good to high yields by a one-pot direct hydrogenation reaction. As another finding the dihydrogen complex, stabilised with a N-Me group in the ligand frame, can be converted with dimethylamine borane into a rare σ-boron complex [RuH2(BH3)(Me-PNP)] with rapid B-N decoupling. Additionally, we present the first mass spectrometric analysis of the synthesised σ-complexes via liquid injection field desorption/ionisation technique (LIFDI-MS).

We propose a nonparametric test for diagnosis of the proportionality assumption between hazard functions based on a functional equation. Because of involvement of censoring distribution, we consider the test procedure in an asymptotic manner and obtain the asymptotic normality for the proposed test statistic. Then we discuss the rationale of use of the functional equation for the initial effect model. Finally we compare our test with others using an example.

By adjustment of the reaction parameters an efficient transformation of aromatic and aliphatic nitriles into amines or imines is achieved.

In this work, we present a mild method for direct conversion of primary alcohols into carboxylic acids with the use of water as an oxygen source. Applying a ruthenium dihydrogen based dehydrogenation catalyst for this cause, we investigated the effect of water on the catalytic dehydrogenation process of alcohols. Using 1 mol% of the catalyst we report up to high yields. Moreover, we isolated key intermediates which most likely play a role in the catalytic cycle. One of the intermediates was identified as a trans dihydrido carbonyl complex which is generated in situ in the catalytic process.

With the increased efforts in finding new energy storage systems for mobile and stationary applications, an intensively studied fuel molecule is dihydrogen owing to its energy content, and the possibility to store it in the form of hydridic and protic hydrogen, for example, in liquid organic hydrogen carriers. Here we show that water in the presence of paraformaldehyde or formaldehyde is suitable for molecular hydrogen storage, as these molecules form stable methanediol, which can be easily and selectively dehydrogenated forming hydrogen and carbon dioxide. In this system, both molecules are hydrogen sources, yielding a theoretical weight efficiency of 8.4% assuming one equivalent of water and one equivalent of formaldehyde. Thus it is potentially higher than formic acid (4.4 wt%), as even when technical aqueous formaldehyde (37 wt%) is used, the diluted methanediol solution has an efficiency of 5.0 wt%. The hydrogen can be efficiently generated in the presence of air using a ruthenium catalyst at low temperature.

The aim of this study is to extend Nishisato’s(1980) quantification method of fully ranked data, using Gabriel’s(1971) biplot technique for multivariate data matrix. Specifically, we will propose a row plot, in which the interdistance between two plot points can be interpreted as approximation of the (squared) rank distance between two rankings given by corresponding judges in Spearman’s sense. Similarly, we will also propose a column plot for objects with a sensible relationship to the row plot for judges.

In this chapter, the role of water in metal pincer–catalyzed reactions is summarized. Briefly three categories can be described: (1) Water can act as polar and protic solvent for biphasic catalysis, with water-soluble pincer complexes in the catalyst phase. (2) The use of water in aqueous phase alcohol and aldehyde-reforming processes for low-temperature hydrogen generation. (3) The use of water in aqueous phase oxidation reactions where water acts as oxygen source, for example, for the oxidation of alcohols to carboxylic acids or the oxidation of amines to amides. Thus, water plays a role for potentially recyclable catalyst systems toward more sustainable organic synthesis or low-temperature energy storage and conversion systems.