14 Result(s)
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Article
Masayoshi Nakano
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Article
Open AccessAdenosine inhibits TNFα-induced MMP-3 production in MH7A rheumatoid arthritis synoviocytes via A2A receptor signaling
Adenosine causes the anti-inflammatory effect of MTX; however, the contributions of synoviocyte adenosine receptors (AdoRs) are unknown, and matrix metalloproteinase 3 (MMP-3) is released by fibroblast-like sy...
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Open AccessUnclassified four-repeat tauopathy associated with familial parkinsonism and progressive respiratory failure
We describe an autopsied patient with familial parkinsonism and unclassified four repeat-tau (4R-tau) aggregation. She presented with bradykinesia, truncal dystonia, and mild amnesia at the age of 61 and then ...
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Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets
Many qualitative structure–property correlations between diradical character and emerging molecular properties are known. For example, the increase of diradical character further decreases the singlet–triplet ...
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Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint
This chapter theoretically explains the electronic structures of open-shell singlet systems with a wide range of open-shell (diradical) characters. The definition of diradical character and its correlation to ...
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Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals
The consequence of unpaired electrons in organic molecules has fascinated and confounded chemists for over a century. The study of open-shell molecules has been rekindled in recent years as new synthetic metho...
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Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems
Using a two-site valence configuration interaction model, we reveal the diradical character (y) dependences of the third-harmonic generation (THG) spectra of singlet diradicaloids, which are described by the phot...
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Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
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(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
We have developed a method for analyzing the (hyper)polarizabilities of open-shell molecular systems. This method employs the (hyper)polarizability densities based on the natural orbitals and occupation number...
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Hydration effects on the reaction with an open-shell transition state: QM/MM-ER study for the dehydration reaction of alcohol in hot water
The reaction mechanism for the dehydration of 1,4-butanediol in hot water has been investigated by means of the hybrid quantum mechanical/molecular mechanical approach combined with the theory of energy repres...
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Theoretical Study on Open-Shell Nonlinear Optical Systems
The static second hyperpolarizabilities (γ) of open-shell organic nonlinear optical (NLO) systems composed of singlet diradical molecules are investigated using ab initio molecular orbital (MO) and density fun...
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Theoretical Studies on the Second Hyperpolarizabilities of Trithiapentalene and Its Donor and Acceptor Disubstituted Species
We study the third-order optical nonlinearity for some interesting ϖ-conjugated systems involving sulfur (S) atoms. The static second hyperpolarizabilities (γ) for l, 6, 6a-trithiapentalene and its donor-and a...
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Quantum Phase Dynamics of Interaction between Photon Field and Magnetic System: Effects of Magnetic Quantum Tunnelling
We investigate the dynamics of probability distributions of an initially one-mode coherent field interacting with a four-state molecular system, which is a single magnet with a tunneling across an anisotropic ...
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Theoretical Study on the Second Hyperpolarizabilities for Small Radical Systems
We study the second hyperpolarizabilities (ɣ) for anion, neutral and cation radicals and find that magnitudes of ɣ (| ɣ |) of the radicals are sensitively influenced by features of each charged state. It is al...
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Rayleigh wave scattering at wedge corners with major wedge angles
Theoretical calculations were performed on reflected and transmitted Rayleigh waves and scattered body waves, in the case where a two-dimensional Rayleigh wave is incident to a wedge-shaped medium having a wed...
