Explanipedia

Accelerometer-Based Gait Analysis as a Predictive Tool for Mild Cognitive Impairment in Older Adults Open

Junwei Shen, Yasuyuki Nagata, Toshiya Shimamoto, Shigehito Matsubara, Masato Nakamura , et al. · 2025

This study explores the potential of accelerometer-based gait analysis as a non-invasive approach for predicting cognitive impairment in older adults. A total of 75 participants (61.3% female; mean age: 78.9 years), including cognitively n…

Motional representation; the ability to predict odor characters using molecular vibrations Open

Yuki Harada, Shuichi Maeda, Junwei Shen, Taku Misonou, Hirokazu Hori , et al. · 2025

The prediction of odor characters is still impossible based on the odorant molecular structure. We designed a CNN-based regressor for computed parameters in molecular vibrations (CNN\_vib), in order to investigate the ability to predict od…

“Button-on-a-String” Mechanism in Water, the Ultrafast UV-to-Heat Conversion by Mycosporine-like Amino Acid Porphyra-334 of Natural Sunscreen Compound Open

Makoto Hatakeyama, Shinichiro Nakamura · 2025

Chemistry Physics Biology

Mycosporine-like amino acids (MAAs) are a family of hydrophilic sunscreen compounds synthesized by aquatic organisms, such as algae and cyanobacteria. In this study, we demonstrate that porphyra-334, which is a common MAA, decays nonradiat…

Water Droplets Driven by the Giant Surface Potential of Organic Films Open

Tsuyoshi Tsujioka, Hiroyuki Kawashima, Kenji Koike, Naoki Matsumoto, Junwei Shen , et al. · 2025

Materials science Chemistry Mathematics

Controlling droplet motion on solid surfaces presents significant challenges in chemistry, physics, and materials science, especially for potential applications in "lab-on-a-chip" technologies. Traditional methods, such as using electric f…

A simple DNN regression for the chemical composition in essential oil Open

Yuki Harada, Shuichi Maeda, Masato Kiyama, Shinichiro Nakamura · 2024

Computer science Mathematics Chemistry

Although experimental design and methodological surveys for mono-molecular activity/property has been extensively investigated, those for chemical composition have received little attention, with the exception of a few prior studies. In th…

Theoretical Evaluation of Complex Dielectric Constant for Gamma Relaxation of Poly(methyl methacrylate), A Study of Quantum Chemistry and Linear Response Theory Open

Shin’ichiro Okude, Junwei Shen, Shinichiro Nakamura · 2024

Materials science Chemistry Physics

It is widely accepted that the γ relaxation of poly(methyl methacrylate) (PMMA) arises from the hindered rotational motion of the side chain around the C-C bond, which links to the main chain. However, the physical model to explain this pr…

Regression Study of Odorant Chemical Space, Molecular Structural Diversity, and Natural Language Description Open

Yuki Harada, Shuichi Maeda, Junwei Shen, Taku Misonou, Hirokazu Hori , et al. · 2024

Computer science Mathematics Psychology

Odor is analyzed on the human olfactometry systems in various steps. The mapping from chemical structures to olfactory perceptions of smell is an extremely challenging task. Scientists have been unable to find a measure to distinguish the …

Pyrroloquinoline quinone disodium salt improves brain function in both younger and older adults Open

Masanori Tamakoshi, Tomomi Suzuki, Eiichiro Nishihara, Shinichiro Nakamura, Kazuto Ikemoto · 2023

Medicine Psychology Chemistry

PQQ intake shows effects on cognitive tests at 8 weeks in young people and 12 weeks in old people.

Theoretical Study on the Kinetics of the Rubisco Carboxylase Reaction by a Model Based on Quantum Chemistry and Absolute Reaction Rate Theory Open

Shin’ichiro Okude, Junwei Shen, Makoto Hatakeyama, Shinichiro Nakamura · 2022

Chemistry Physics Biology

The rate of the Rubisco carboxylase reaction is evaluated by statistical mechanics and hybrid density functional theory (DFT). The Rubisco molecular model given by Kannappan et al. was modified and used in the present calculation. The acti…

Molecular Design Learned from the Natural Product Porphyra-334: Molecular Generation via Chemical Variational Autoencoder versus Database Mining via Similarity Search, A Comparative Study Open

Harada Yuki, Makoto Hatakeyama, Shuichi Maeda, Qi Gao, Kenichi Koizumi , et al. · 2022

Chemistry Materials science Computer science

A comparative study is presented. The method via chemical variational autoencoder (VAE) and the method via similarity search are compared, focusing on their generation ability for new functional molecular design. Focusing on the natural po…

White light emission generated by two stacking patterns of a single organic molecular crystal Open

Yuma Nakagawa, Kuon Kinoshita, Megumi Kasuno, Ryo Nishimura, Masakazu Morimoto , et al. · 2022

Materials science Chemistry Physics

In this study, a new type of single-molecule white luminescence is presented. This luminescence is accomplished by dual emission from two different stacking patterns having different overlapping areas in the crystal.

Molecular crystalline capsules that release their contents by light Open

Akira Nagai, Ryo Nishimura, Yohei Hattori, Eri Hatano, Ayako Fujimoto , et al. · 2021

Chemistry Materials science

A novel diarylethene formed “crystalline capsules” containing liquid inclusions, and chemicals trapped in the capsules were released by photoinduced breaking. Operations by multiphoton and linear polarized light were demonstrated.

CCDC 1938354: Experimental Crystal Structure Determination Open

Ayako Fujimoto, Noriko Fujinaga, Ryo Nishimura, Eri Hatano, Luna Kono , et al. · 2020

Materials science Chemistry