Experimental investigation of amplitude death in delay-coupled double-scroll circuits with randomly time-varying network topology

Nonlinear Dynamics - The present study experimentally investigates amplitude death in delay-coupled double-scroll circuits with a time-varying network topology that randomly changes at a regular...     

Coexistence of Spin–Lattice Relaxation and Phonon-Bottleneck Processes in GdIII–Phthlocyaninato Triple-Decker Complexes under Highly Diluted Conditions

Gd³⁺ complexes have been shown to undergo unusual slow magnetic relaxation processes similar to those of single-molecule magnets (SMMs), even though Gd³⁺ does not exhibit strong magnetic anisotropy. To reveal the origin of the slow magnetic relaxation of Gd³⁺ complexes, we have investigated the magnetic properties and heat capacities of two Gd³⁺-phthalocyaninato triple-decker complexes, one of which has intramolecular Gd³⁺–Gd³⁺ interactions and the other does not. It was found that the Gd³⁺–Gd³⁺ interactions accelerate the magnetic relaxation processes. In addition, magnetically diluted samples, prepared by doping a small amount of the Gd³⁺ complexes into a large amount of diamagnetic Y³⁺ complexes, underwent dual magnetic relaxation processes. A detailed dynamic magnetic analysis revealed that the coexistence of spin–lattice relaxation and phonon-bottleneck processes is the origin of the dual magnetic relaxation processes.     

Bayesian molecular design with a chemical language model

The aim of computational molecular design is the identification of promising hypothetical molecules with a predefined set of desired properties. We address the issue of accelerating the material discovery with state-of-the-art machine learning techniques. The method involves two different types of prediction; the forward and backward predictions. The objective of the forward prediction is to create a set of machine learning models on various properties of a given molecule. Inverting the trained forward models through Bayes’ law, we derive a posterior distribution for the backward prediction, which is conditioned by a desired property requirement. Exploring high-probability regions of the posterior with a sequential Monte Carlo technique, molecules that exhibit the desired properties can computationally be created. One major difficulty in the computational creation of molecules is the exclusion of the occurrence of chemically unfavorable structures. To circumvent this issue, we derive a chemical language model that acquires commonly occurring patterns of chemical fragments through natural language processing of ASCII strings of existing compounds, which follow the SMILES chemical language notation. In the backward prediction, the trained language model is used to refine chemical strings such that the properties of the resulting structures fall within the desired property region while chemically unfavorable structures are successfully removed. The present method is demonstrated through the design of small organic molecules with the property requirements on HOMO-LUMO gap and internal energy. The R package iqspr is available at the CRAN repository.     

Ullmann CO coupling of sterically hindered secondary alcohols using excess amount of strongly coordinating monodentate ligands

A new effective copper catalyzed CO coupling reaction using excess amount of strongly coordinating monodentate ligands was successfully developed. Among the DMAP-type monodentate ligands, 4-pyrrolidinopyridine afforded the best results. The developed reaction is widely applicable for the synthesis of various hindered or acyclic secondary alkyl-aryl ethers. In this study, a novel and remarkable acceleration of the coupling reaction using excess amount of monodentate ligands was discovered.     

Trudinger's inequality for Riesz potentials of functions in Musielak–Orlicz spaces

In this paper we are concerned with Trudinger's inequality for Riesz potentials of functions in Musielak–Orlicz spaces.     

Spinel–rocksalt transition as a key cathode reaction toward high-energy-density magnesium rechargeable batteries

Mg-metal-anode rechargeable battery (MRB) has been a promising candidate for next-generation batteries with high energy densities and high safety. The lack of high-performance cathode materials, however, retards the development of MRBs. In recent years, it has been revealed that various spinel oxides can accommodate a large amount of Mg, exhibiting relatively high potentials (2–3 V vs. Mg²⁺/Mg) and high capacities (～150 mAh g^?1) accompanied by the coherent structural transformation into the rocksalt structure. This review summarizes the recent progress in the development of such spinel–rocksalt transition materials from the viewpoints of the reaction mechanisms, design guidelines of spinel oxides (for tailoring the redox potential, volume change, and cyclability), and challenges to construct full-cell MRBs.     

Analyses of lepidopteran sex pheromones by mass spectrometry

Lepidoptera, including about 150,000 species in the world, comprise the second largest insect group, and sex pheromones have been identified from virgin female moths of more than 600 species. The chemical structures are simple, but diverse, because species-specific pheromones play an important role in the reproductive isolation of each species. The pheromone content in each female is quite low, and gas chromatography coupled to mass spectrometry (GC-MS) is most frequently utilized to reveal the chemical structure. Almost all pheromone components are straight-chain compounds and are classified into two major groups [i.e. unsaturated C₁₀-C₁₈ fatty alcohols and their derivatives (Type I) and C₁₇-C₂₃ polyenyl hydrocarbons and their epoxides (Type II)]. In addition to the unbranched compounds, some species secrete methyl-branched compounds (e.g., 2-ketones). For the identification of these compounds, determining the positions of the double bond, the epoxy ring, and the methyl group is an important key step. Copious spectral information measured by electron-impact ionization (70 eV) has been accumulated for these compounds. This review therefore deals with their spectral characteristics, namely, diagnostic ions, to apply them to pheromone studies on new target insects.